From b6fa19c3a9b43144d5a10d884415985bda6b913b Mon Sep 17 00:00:00 2001
From: Alexander Kunitsa <28026247+aakunitsa@users.noreply.github.com>
Date: Wed, 4 Dec 2024 11:06:24 -0500
Subject: [PATCH 01/25] added overlaps for all planted solution instances, an
 example notebook and utils

---
 examples/csf_weight.ipynb           | 918 ++++++++++++++++++++++++++++
 scripts/overlaps.csv                |  16 +-
 src/qb_gsee_benchmark/cas_utils.py  |  14 +
 src/qb_gsee_benchmark/dmrg_utils.py |  72 +++
 4 files changed, 1016 insertions(+), 4 deletions(-)
 create mode 100644 examples/csf_weight.ipynb
 create mode 100644 src/qb_gsee_benchmark/cas_utils.py
 create mode 100644 src/qb_gsee_benchmark/dmrg_utils.py

diff --git a/examples/csf_weight.ipynb b/examples/csf_weight.ipynb
new file mode 100644
index 0000000..c610d28
--- /dev/null
+++ b/examples/csf_weight.ipynb
@@ -0,0 +1,918 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import h5py, os, glob, json\n",
+    "from block2 import SU2\n",
+    "from pyblock2.driver.core import DMRGDriver, SymmetryTypes\n",
+    "import pandas as pd\n",
+    "import numpy as np\n",
+    "from dmrg_utils import load_mps, max_det_coeff, expand_csf\n",
+    "from cas_utils import log_hilbert_space_size\n",
+    "from matplotlib import pyplot as plt\n",
+    "from pathlib import Path\n",
+    "import urllib.request"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# General parameters\n",
+    "repository_url = \"https://github.com/isi-usc-edu/qb-gsee-benchmark/archive/refs/heads/main.zip\"\n",
+    "problem_instance_files_repository_path = (\n",
+    "    \"problem_instances\"\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Download problem instance files\n",
+    "repository_filepath = Path(\"repository.zip\")\n",
+    "\n",
+    "repository_path = Path(\"qb-gsee-benchmark-main\")\n",
+    "if not repository_path.exists():\n",
+    "    # Download repository\n",
+    "    urllib.request.urlretrieve(repository_url, repository_filepath.name)\n",
+    "    # unzip repository\n",
+    "    os.system(f\"unzip {repository_filepath}\")\n",
+    "\n",
+    "problem_instance_files_path = repository_path / problem_instance_files_repository_path\n",
+    "instance_files = list(problem_instance_files_path.glob('problem_instance.planted_solution_*.json'))"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Retrieve relevant metadata\n",
+    "metadata = []\n",
+    "\n",
+    "for file in instance_files:\n",
+    "    with open(file, 'r') as jf:\n",
+    "        json_data = json.load(jf)\n",
+    "    \n",
+    "    \n",
+    "    for task_data in json_data['tasks']:\n",
+    "        features = dict(task_data['features'])\n",
+    "        assert len(task_data['supporting_files']) == 1 \n",
+    "        features = {**features, **(task_data['supporting_files'][0])}\n",
+    "        features['reference_energy'] = task_data['requirements'].get('reference_energy')\n",
+    "        features['reference_energy_units'] = task_data['requirements'].get('reference_energy_units')\n",
+    "        features['task_uuid'] = task_data['task_uuid']\n",
+    "\n",
+    "    file_name = os.path.basename(file)\n",
+    "    features['prob_file_name'] = file_name\n",
+    "\n",
+    "    metadata.append(features)\n",
+    "\n",
+    "metadata = pd.DataFrame(metadata)\n",
+    "metadata['prob_name_wo_uuid'] = metadata.apply(lambda r: r['prob_file_name'].split('.')[1], axis=1)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "       prob_name_wo_uuid                                       solution_dir\n",
+      "0  planted_solution_0004  ../data/data_storage/planted_solution_0004.7e0...\n"
+     ]
+    }
+   ],
+   "source": [
+    "mps_data_dir = Path('../data/data_storage/') # Location of MPSs; in this example - for planted solutions\n",
+    "list_of_solution_dirs = list(mps_data_dir.glob('planted_solution_*'))\n",
+    "solution_paths = []\n",
+    "for sol_dir in list_of_solution_dirs:\n",
+    "    prob_name = os.path.basename(sol_dir).split('.')[0]\n",
+    "    solution_paths.append({'prob_name_wo_uuid' : prob_name, 'solution_dir' : sol_dir})\n",
+    "sol_paths = pd.DataFrame(solution_paths)\n",
+    "print(sol_paths.head(1))"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>multiplicity</th>\n",
+       "      <th>num_electrons</th>\n",
+       "      <th>num_orbitals</th>\n",
+       "      <th>utility_scale</th>\n",
+       "      <th>instance_data_object_uuid</th>\n",
+       "      <th>instance_data_object_url</th>\n",
+       "      <th>instance_data_checksum</th>\n",
+       "      <th>instance_data_checksum_type</th>\n",
+       "      <th>reference_energy</th>\n",
+       "      <th>reference_energy_units</th>\n",
+       "      <th>task_uuid</th>\n",
+       "      <th>prob_file_name</th>\n",
+       "      <th>prob_name_wo_uuid</th>\n",
+       "      <th>solution_dir</th>\n",
+       "      <th>log10_hs_size</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>1</td>\n",
+       "      <td>50</td>\n",
+       "      <td>31</td>\n",
+       "      <td>False</td>\n",
+       "      <td>efddd28a-383d-4929-9335-22e54ba2ffbe</td>\n",
+       "      <td>sftp://sftp.l3harris.com/gsee/planted_solution...</td>\n",
+       "      <td>48e4bda8ad2e48926e8b7c36ea24f1e16ab8edf2</td>\n",
+       "      <td>sha1sum</td>\n",
+       "      <td>-581.589915</td>\n",
+       "      <td>hartree</td>\n",
+       "      <td>472bbfb1-c081-4df6-b966-32ce1194ab8c</td>\n",
+       "      <td>problem_instance.planted_solution_0003.a37c86c...</td>\n",
+       "      <td>planted_solution_0003</td>\n",
+       "      <td>../data/data_storage/planted_solution_0003.70f...</td>\n",
+       "      <td>11.734087</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "   multiplicity  num_electrons  num_orbitals  utility_scale  \\\n",
+       "0             1             50            31          False   \n",
+       "\n",
+       "              instance_data_object_uuid  \\\n",
+       "0  efddd28a-383d-4929-9335-22e54ba2ffbe   \n",
+       "\n",
+       "                            instance_data_object_url  \\\n",
+       "0  sftp://sftp.l3harris.com/gsee/planted_solution...   \n",
+       "\n",
+       "                     instance_data_checksum instance_data_checksum_type  \\\n",
+       "0  48e4bda8ad2e48926e8b7c36ea24f1e16ab8edf2                     sha1sum   \n",
+       "\n",
+       "   reference_energy reference_energy_units  \\\n",
+       "0       -581.589915                hartree   \n",
+       "\n",
+       "                              task_uuid  \\\n",
+       "0  472bbfb1-c081-4df6-b966-32ce1194ab8c   \n",
+       "\n",
+       "                                      prob_file_name      prob_name_wo_uuid  \\\n",
+       "0  problem_instance.planted_solution_0003.a37c86c...  planted_solution_0003   \n",
+       "\n",
+       "                                        solution_dir  log10_hs_size  \n",
+       "0  ../data/data_storage/planted_solution_0003.70f...      11.734087  "
+      ]
+     },
+     "execution_count": 13,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "metadata = metadata.join(sol_paths.set_index('prob_name_wo_uuid'), on='prob_name_wo_uuid', how='left')\n",
+    "metadata['log10_hs_size'] = metadata.apply(lambda r: log_hilbert_space_size(r['num_orbitals'], \n",
+    "                                                     r['num_electrons'], r['multiplicity']), axis=1)\n",
+    "metadata.head(1)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>prob_name_wo_uuid</th>\n",
+       "      <th>log10_hs_size</th>\n",
+       "      <th>num_orbitals</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>planted_solution_0003</td>\n",
+       "      <td>11.734087</td>\n",
+       "      <td>31</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>planted_solution_0009</td>\n",
+       "      <td>36.725579</td>\n",
+       "      <td>69</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>planted_solution_0004</td>\n",
+       "      <td>37.619895</td>\n",
+       "      <td>70</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>planted_solution_0008</td>\n",
+       "      <td>6.602928</td>\n",
+       "      <td>14</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>planted_solution_0011</td>\n",
+       "      <td>11.734087</td>\n",
+       "      <td>31</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>planted_solution_0005</td>\n",
+       "      <td>6.955111</td>\n",
+       "      <td>14</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>6</th>\n",
+       "      <td>planted_solution_0002</td>\n",
+       "      <td>36.725579</td>\n",
+       "      <td>69</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>7</th>\n",
+       "      <td>planted_solution_0006</td>\n",
+       "      <td>6.602928</td>\n",
+       "      <td>14</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>8</th>\n",
+       "      <td>planted_solution_0010</td>\n",
+       "      <td>11.547244</td>\n",
+       "      <td>30</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>9</th>\n",
+       "      <td>planted_solution_0001</td>\n",
+       "      <td>6.602928</td>\n",
+       "      <td>14</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>10</th>\n",
+       "      <td>planted_solution_0007</td>\n",
+       "      <td>11.734087</td>\n",
+       "      <td>31</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "        prob_name_wo_uuid  log10_hs_size  num_orbitals\n",
+       "0   planted_solution_0003      11.734087            31\n",
+       "1   planted_solution_0009      36.725579            69\n",
+       "2   planted_solution_0004      37.619895            70\n",
+       "3   planted_solution_0008       6.602928            14\n",
+       "4   planted_solution_0011      11.734087            31\n",
+       "5   planted_solution_0005       6.955111            14\n",
+       "6   planted_solution_0002      36.725579            69\n",
+       "7   planted_solution_0006       6.602928            14\n",
+       "8   planted_solution_0010      11.547244            30\n",
+       "9   planted_solution_0001       6.602928            14\n",
+       "10  planted_solution_0007      11.734087            31"
+      ]
+     },
+     "execution_count": 14,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "metadata[['prob_name_wo_uuid', 'log10_hs_size', 'num_orbitals']]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Path to MPSs: ../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_007_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_008_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_009_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_010_ket_optimized\n",
+      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_011_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_007_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_008_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_009_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_010_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_011_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_012_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_013_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_014_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_015_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_016_ket_optimized\n",
+      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_017_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_007_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_008_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_009_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_010_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_011_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_012_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_013_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_014_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_015_ket_optimized\n",
+      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_016_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90\n",
+      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_007_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_008_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_009_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_010_ket_optimized\n",
+      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_011_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0005.a3398364-0b77-461a-8b8a-ca3275ca0f49\n",
+      "../data/data_storage/planted_solution_0005.a3398364-0b77-461a-8b8a-ca3275ca0f49/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0005.a3398364-0b77-461a-8b8a-ca3275ca0f49/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0005.a3398364-0b77-461a-8b8a-ca3275ca0f49/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_007_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_008_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_009_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_010_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_011_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_012_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_013_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_014_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_015_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_016_ket_optimized\n",
+      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_017_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_007_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_008_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_009_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_010_ket_optimized\n",
+      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_011_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884\n",
+      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_007_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_008_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_009_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_010_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_011_ket_optimized\n",
+      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_012_ket_optimized\n",
+      "Path to MPSs: ../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_001_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_002_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_003_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_004_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_005_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_006_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_007_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_008_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_009_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_010_ket_optimized\n",
+      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_011_ket_optimized\n"
+     ]
+    }
+   ],
+   "source": [
+    "overlap_data = []\n",
+    "for index, row in metadata.iterrows():\n",
+    "\n",
+    "    n_electrons = int(row[\"num_electrons\"])\n",
+    "    spin = int(row[\"multiplicity\"]) - 1\n",
+    "    n_cas = int(row[\"num_orbitals\"])\n",
+    "\n",
+    "    full_path_to_solution = row['solution_dir']\n",
+    "    print(f'Path to MPSs: {full_path_to_solution}')\n",
+    "    \n",
+    "    with h5py.File(full_path_to_solution/'dmrg_results.hdf5', 'r') as f:\n",
+    "        loop_bd_info = {} \n",
+    "        for k in f.keys():\n",
+    "            if 'dmrg_loop_' in k:\n",
+    "                loop_num = int(k.split('_')[-1])\n",
+    "                max_bd = np.max(np.array(f[k]['dmrg_parameters']['sweep_schedule_bond_dims']))\n",
+    "                loop_bd_info[loop_num] = max_bd\n",
+    "\n",
+    "        n_loops = len(loop_bd_info)\n",
+    "\n",
+    "    for loop in range(1, n_loops + 1):\n",
+    "\n",
+    "        driver = DMRGDriver(scratch=\"./tmp\", symm_type=SymmetryTypes.SU2, n_threads=4)\n",
+    "        driver.initialize_system(\n",
+    "            n_sites=int(n_cas),\n",
+    "            n_elec=int(n_electrons),\n",
+    "            spin=int(spin),\n",
+    "        )\n",
+    "\n",
+    "        if loop > 9:\n",
+    "            full_dir = full_path_to_solution/'mps_storage'/f'dmrg_loop_0{loop}_ket_optimized'\n",
+    "        else:\n",
+    "            full_dir = full_path_to_solution/'mps_storage'/f'dmrg_loop_00{loop}_ket_optimized'\n",
+    "\n",
+    "        print(full_dir)\n",
+    "\n",
+    "        assert os.path.isfile(full_dir/'mps_info.bin')\n",
+    "\n",
+    "        ket = load_mps(full_dir)\n",
+    "        #bd = ket.info.bond_dim # may not display the correct value\n",
+    "        bd = loop_bd_info[loop]\n",
+    "\n",
+    "        coeff, csf = max_det_coeff(driver, ket, cutoff=0.0005)\n",
+    "        #zcsf = expand_csf(driver, csf, \n",
+    "        #                  ne=int(n_electrons), \n",
+    "        #                  no=int(n_cas), spin=int(spin))\n",
+    "        #dets, coeffs = driver.get_csf_coefficients(zcsf, cutoff=1e-6, iprint=0)\n",
+    "\n",
+    "\n",
+    "        overlap_data.append({'prob_name_wo_uuid' : row['prob_name_wo_uuid'],\n",
+    "                             'loop' : loop,\n",
+    "                             'num_orbitals' : row['num_orbitals'], \n",
+    "                             'num_electrons' : row['num_electrons'], \n",
+    "                             'bond_dimension' : bd,\n",
+    "                             'hf_coeff' : np.abs(coeff), \n",
+    "                             'csf' : csf, 'n_dets' : None})\n",
+    "                             # 'n_dets' : len(dets), })\n",
+    "                             #'z_s1' : z_s1 })\n",
+    "        "
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>prob_name_wo_uuid</th>\n",
+       "      <th>loop</th>\n",
+       "      <th>num_orbitals</th>\n",
+       "      <th>num_electrons</th>\n",
+       "      <th>bond_dimension</th>\n",
+       "      <th>hf_coeff</th>\n",
+       "      <th>csf</th>\n",
+       "      <th>n_dets</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>planted_solution_0003</td>\n",
+       "      <td>1</td>\n",
+       "      <td>31</td>\n",
+       "      <td>50</td>\n",
+       "      <td>6</td>\n",
+       "      <td>0.976323</td>\n",
+       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
+       "      <td>None</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>planted_solution_0003</td>\n",
+       "      <td>2</td>\n",
+       "      <td>31</td>\n",
+       "      <td>50</td>\n",
+       "      <td>7</td>\n",
+       "      <td>0.977222</td>\n",
+       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
+       "      <td>None</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>planted_solution_0003</td>\n",
+       "      <td>3</td>\n",
+       "      <td>31</td>\n",
+       "      <td>50</td>\n",
+       "      <td>8</td>\n",
+       "      <td>0.977415</td>\n",
+       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
+       "      <td>None</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>planted_solution_0003</td>\n",
+       "      <td>4</td>\n",
+       "      <td>31</td>\n",
+       "      <td>50</td>\n",
+       "      <td>9</td>\n",
+       "      <td>0.976903</td>\n",
+       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
+       "      <td>None</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>planted_solution_0003</td>\n",
+       "      <td>5</td>\n",
+       "      <td>31</td>\n",
+       "      <td>50</td>\n",
+       "      <td>10</td>\n",
+       "      <td>0.976597</td>\n",
+       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
+       "      <td>None</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "       prob_name_wo_uuid  loop  num_orbitals  num_electrons  bond_dimension  \\\n",
+       "0  planted_solution_0003     1            31             50               6   \n",
+       "1  planted_solution_0003     2            31             50               7   \n",
+       "2  planted_solution_0003     3            31             50               8   \n",
+       "3  planted_solution_0003     4            31             50               9   \n",
+       "4  planted_solution_0003     5            31             50              10   \n",
+       "\n",
+       "   hf_coeff                                                csf n_dets  \n",
+       "0  0.976323  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  \n",
+       "1  0.977222  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  \n",
+       "2  0.977415  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  \n",
+       "3  0.976903  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  \n",
+       "4  0.976597  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  "
+      ]
+     },
+     "execution_count": 16,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "overlaps = pd.DataFrame(overlap_data)\n",
+    "#overlaps = overlaps.join(metadata_.set_index('task_uuid'), on='task_uuid', how='left')\n",
+    "overlaps.head()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "Index(['prob_name_wo_uuid', 'loop', 'num_orbitals', 'num_electrons',\n",
+       "       'bond_dimension', 'hf_coeff', 'csf', 'n_dets'],\n",
+       "      dtype='object')"
+      ]
+     },
+     "execution_count": 17,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "#overlaps.shape\n",
+    "overlaps.columns"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 18,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array(['planted_solution_0003', 'planted_solution_0009',\n",
+       "       'planted_solution_0004', 'planted_solution_0008',\n",
+       "       'planted_solution_0011', 'planted_solution_0005',\n",
+       "       'planted_solution_0002', 'planted_solution_0006',\n",
+       "       'planted_solution_0010', 'planted_solution_0001',\n",
+       "       'planted_solution_0007'], dtype=object)"
+      ]
+     },
+     "execution_count": 18,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "overlaps.prob_name_wo_uuid.unique()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 19,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 500x1500 with 12 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "fig, ax = plt.subplots(6, 2, figsize=(5, 15))\n",
+    "ax_ = ax.flatten()\n",
+    "index = 0\n",
+    "for id_, group_ in overlaps.groupby('prob_name_wo_uuid'):\n",
+    "    bd = group_['bond_dimension'].to_numpy()\n",
+    "    abs_hf_coeff = group_['hf_coeff'].to_numpy()\n",
+    "    p = np.argsort(bd)\n",
+    "    no_tag = group_[\"num_orbitals\"].unique()[0]\n",
+    "    ne_tag = group_['num_electrons'].unique()[0]\n",
+    "    ax_[index].plot(bd[p], abs_hf_coeff[p], '^--')\n",
+    "    ax_[index].set_xlabel('bond dim.')\n",
+    "    ax_[index].tick_params(axis='x', labelrotation=45)\n",
+    "    ax_[index].set_ylabel(r'$|c_0|$')\n",
+    "    ax_[index].set_yscale('log')\n",
+    "    ax_[index].set_title(f'{id_.split(\"_\")[-1]} ({int(no_tag)}o, {int(ne_tag)}e)')\n",
+    "    index += 1\n",
+    "\n",
+    "fig.tight_layout()\n",
+    "plt.savefig('overlaps.png', dpi=300)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 20,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>loop</th>\n",
+       "      <th>num_orbitals</th>\n",
+       "      <th>num_electrons</th>\n",
+       "      <th>bond_dimension</th>\n",
+       "      <th>hf_coeff</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>prob_name_wo_uuid</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>planted_solution_0001</th>\n",
+       "      <td>12</td>\n",
+       "      <td>14</td>\n",
+       "      <td>18</td>\n",
+       "      <td>24</td>\n",
+       "      <td>0.708597</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>planted_solution_0002</th>\n",
+       "      <td>17</td>\n",
+       "      <td>69</td>\n",
+       "      <td>90</td>\n",
+       "      <td>41</td>\n",
+       "      <td>0.225133</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>planted_solution_0003</th>\n",
+       "      <td>11</td>\n",
+       "      <td>31</td>\n",
+       "      <td>50</td>\n",
+       "      <td>21</td>\n",
+       "      <td>0.977415</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>planted_solution_0004</th>\n",
+       "      <td>16</td>\n",
+       "      <td>70</td>\n",
+       "      <td>90</td>\n",
+       "      <td>37</td>\n",
+       "      <td>0.968532</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>planted_solution_0005</th>\n",
+       "      <td>3</td>\n",
+       "      <td>14</td>\n",
+       "      <td>16</td>\n",
+       "      <td>8</td>\n",
+       "      <td>0.998537</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                       loop  num_orbitals  num_electrons  bond_dimension  \\\n",
+       "prob_name_wo_uuid                                                          \n",
+       "planted_solution_0001    12            14             18              24   \n",
+       "planted_solution_0002    17            69             90              41   \n",
+       "planted_solution_0003    11            31             50              21   \n",
+       "planted_solution_0004    16            70             90              37   \n",
+       "planted_solution_0005     3            14             16               8   \n",
+       "\n",
+       "                       hf_coeff  \n",
+       "prob_name_wo_uuid                \n",
+       "planted_solution_0001  0.708597  \n",
+       "planted_solution_0002  0.225133  \n",
+       "planted_solution_0003  0.977415  \n",
+       "planted_solution_0004  0.968532  \n",
+       "planted_solution_0005  0.998537  "
+      ]
+     },
+     "execution_count": 20,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "overlaps_summary = overlaps.groupby('prob_name_wo_uuid').max('loop')\n",
+    "overlaps_summary.head()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 29,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#overlaps_summary = overlaps_summary.join(metadata[['prob_name_wo_uuid', 'instance_data_object_url']].set_index('prob_name_wo_uuid'), on='prob_name_wo_uuid', how='left')\n",
+    "overlaps_summary = overlaps_summary.join(metadata[['prob_name_wo_uuid', 'task_uuid']].set_index('prob_name_wo_uuid'), on='prob_name_wo_uuid', how='left')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 30,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "overlaps_summary.rename(columns={'hf_coeff' : 'overlap'}, inplace=True)\n",
+    "overlaps_summary[['overlap', 'task_uuid']].to_csv('overlaps.csv', index=False)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "darpa",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.9.18"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/scripts/overlaps.csv b/scripts/overlaps.csv
index 2e31d2d..ae0d2d7 100644
--- a/scripts/overlaps.csv
+++ b/scripts/overlaps.csv
@@ -1,4 +1,12 @@
-task_uuid,overlap
-be3812d3-5975-4736-8a23-96d64e50e66a,0.7085974535652702
-472bbfb1-c081-4df6-b966-32ce1194ab8c,0.9774145158534091
-a41a284c-7baa-438e-9323-532091c7a78f,0.9985372277228635
+overlap,task_uuid
+0.7085974535652702,be3812d3-5975-4736-8a23-96d64e50e66a
+0.22513330252311292,0deae366-42de-4081-914d-db85c6b47168
+0.9774145158534091,472bbfb1-c081-4df6-b966-32ce1194ab8c
+0.9685316094601323,c9809448-2f3d-40d4-858d-6288a4703af4
+0.9985372277228635,a41a284c-7baa-438e-9323-532091c7a78f
+0.949143431782712,d28f02ba-d43f-4df9-a01a-f1e8ac326e08
+0.9183533021847063,d3c058ec-9b13-4a9a-aba0-d3f19091c47b
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+0.9958029416443275,7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02
+0.9951522181318971,0021e256-8e13-42db-839d-e9155e8af82c
diff --git a/src/qb_gsee_benchmark/cas_utils.py b/src/qb_gsee_benchmark/cas_utils.py
new file mode 100644
index 0000000..eec53df
--- /dev/null
+++ b/src/qb_gsee_benchmark/cas_utils.py
@@ -0,0 +1,14 @@
+import numpy as np
+from scipy.special import comb
+
+def log_hilbert_space_size(no: int, ne: int, mult: int) -> float:
+    '''Compute log10 of the Hilbert space size assuming Sz
+    is conserved.
+    '''
+
+    nalpha = (ne + mult - 1) // 2
+    nbeta = (ne - mult + 1) // 2
+    log_hs = np.log10(comb(no, nalpha, exact=False)) + np.log10(
+        comb(no, nbeta, exact=False)
+    )
+    return log_hs
\ No newline at end of file
diff --git a/src/qb_gsee_benchmark/dmrg_utils.py b/src/qb_gsee_benchmark/dmrg_utils.py
new file mode 100644
index 0000000..8015c3d
--- /dev/null
+++ b/src/qb_gsee_benchmark/dmrg_utils.py
@@ -0,0 +1,72 @@
+import block2
+from block2 import SU2
+from pyblock2.driver.core import DMRGDriver, SymmetryTypes
+from typing import Union, List, Tuple
+import numpy as np
+from pyblock2 import tools
+from copy import deepcopy
+
+
+def max_det_coeff(
+    driver: DMRGDriver, ket: Union[block2.sz.MPS, block2.su2.MPS], cutoff: float = 0.001
+) -> Tuple[float, List[int]]:
+    """Get the abs weight of the dominant CSF in a DMRG solution and
+    a corresponding occupation number representation.
+
+    Args:
+        driver: Block2 DMRG driver initialized with the parameters
+                used when generating the solution.
+        ket: Block2 MPS ket.
+        cuttoff: positive floating point cutoff for the minimum expansion
+                 coefficient value sampled from MPS.
+    Returns: a tuple of the maximum absolute CSF weight and its occupation
+             number representation.
+    """
+
+    csfs, coeffs = driver.get_csf_coefficients(ket, cutoff=cutoff, iprint=0)
+    abs_coeffs = np.abs(coeffs)
+    return coeffs[np.argmax(abs_coeffs)], csfs[np.argmax(abs_coeffs)]
+
+
+def load_mps(directory) -> Union[block2.sz.MPS, block2.su2.MPS]:
+    """Given a directory where Block2 MPS was save produces an Block2
+    MPS object; a driver object should be initialized to use this function.
+    """
+
+    tools.init(SU2)
+    mps = tools.loadMPSfromDir(mps_info=None, mpsSaveDir=directory)
+    return mps
+
+
+def expand_csf(
+    driver: DMRGDriver, csf: List, ne: int, no: int, spin: int
+) -> block2.sz.MPS:
+    """Given a CSF produced by driver.get_csf_coefficients
+    creates a *normalized* SZ adapted MPS out of it.
+
+    Args:
+        driver: Block2 DMRG driver initialized with the parameters
+                used when generating the solution.
+        csf: Orbital occupation list for the CSF using Block2 notation.
+    Returns: A normalized SZ adapted MPS.
+    """
+
+    mps_csf = driver.get_mps_from_csf_coefficients([csf], [1.0], tag="CSF", dot=1)
+    zket = driver.mps_change_to_sz(mps_csf, "ZCSF", sz=spin)
+
+    driver.symm_type = SymmetryTypes.SZ
+    driver.initialize_system(
+        n_sites=no,
+        n_elec=ne,
+        spin=spin,
+    )
+
+    impo = driver.get_identity_mpo()
+    ovlp_csf = driver.expectation(zket, impo, zket)
+
+    zket.load_tensor(zket.center)
+    zket.tensors[zket.center].data = zket.tensors[zket.center].data / ovlp_csf**0.5
+    zket.save_tensor(zket.center)
+    assert abs(driver.expectation(zket, impo, zket) - 1) < 1e-10
+
+    return zket

From 428b14cc0485d1eb1afbfb7090f2b1196c0eaf62 Mon Sep 17 00:00:00 2001
From: Alexander Kunitsa <28026247+aakunitsa@users.noreply.github.com>
Date: Wed, 4 Dec 2024 12:23:34 -0500
Subject: [PATCH 02/25] updated overlaps with the values for mn_mono

---
 scripts/overlaps.csv | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/scripts/overlaps.csv b/scripts/overlaps.csv
index ae0d2d7..35b8d69 100644
--- a/scripts/overlaps.csv
+++ b/scripts/overlaps.csv
@@ -10,3 +10,11 @@ overlap,task_uuid
 0.9590201342647006,8f373cb0-952d-48c6-a871-8a10e52e7c19
 0.9958029416443275,7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02
 0.9951522181318971,0021e256-8e13-42db-839d-e9155e8af82c
+0.2498975652988538,a9c90f98-6557-44d2-9ca0-0c9122f4080c
+0.1561587908258567,a16168e2-98cd-430d-a180-84f64b4d5e75
+0.4308955197607803,1ade03f3-06b1-4e95-b271-fea5a6343829
+0.2537188887662813,6e617348-d0b3-4b6d-9923-ea54ba5cf751
+0.2919660904194511,6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da
+0.6181363782025164,de3ea361-c2d3-4ab6-add4-ccd43cea6aa8
+0.2121397979087371,590c2f0b-964b-4d09-96ad-101a9be59cab
+0.3962841546152906,ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f

From e8fc6ae891fbc76066c9d95c0273297a7340f23d Mon Sep 17 00:00:00 2001
From: Alexander Kunitsa <28026247+aakunitsa@users.noreply.github.com>
Date: Thu, 5 Dec 2024 16:09:54 -0500
Subject: [PATCH 03/25] latest set of overlaps

---
 scripts/overlaps.csv | 166 ++++++++++++++++++++++++++++++++++++++-----
 1 file changed, 148 insertions(+), 18 deletions(-)

diff --git a/scripts/overlaps.csv b/scripts/overlaps.csv
index 35b8d69..255c0ac 100644
--- a/scripts/overlaps.csv
+++ b/scripts/overlaps.csv
@@ -1,20 +1,150 @@
 overlap,task_uuid
-0.7085974535652702,be3812d3-5975-4736-8a23-96d64e50e66a
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-0.9985372277228635,a41a284c-7baa-438e-9323-532091c7a78f
-0.949143431782712,d28f02ba-d43f-4df9-a01a-f1e8ac326e08
-0.9183533021847063,d3c058ec-9b13-4a9a-aba0-d3f19091c47b
-0.8117853524308283,af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3
-0.9590201342647006,8f373cb0-952d-48c6-a871-8a10e52e7c19
-0.9958029416443275,7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02
-0.9951522181318971,0021e256-8e13-42db-839d-e9155e8af82c
-0.2498975652988538,a9c90f98-6557-44d2-9ca0-0c9122f4080c
-0.1561587908258567,a16168e2-98cd-430d-a180-84f64b4d5e75
-0.4308955197607803,1ade03f3-06b1-4e95-b271-fea5a6343829
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+0.6181363888375566,de3ea361-c2d3-4ab6-add4-ccd43cea6aa8
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+0.5121702922839056,666185aa-b65d-4f73-8846-ae9693388d9d
+0.8671047512987239,fa3bc2a8-8067-4088-909a-2ddfa655ebfb
+0.8289806716907081,8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4
+0.8606915139302134,f0637f33-3c53-4f01-8cf7-cfd9c6f39a51
+0.9738115234937592,9d82f7d4-165d-4499-8add-361a770d1d44
+0.9944532530076432,29eecba9-3d4d-4672-8b19-475f53b2f1be
+0.6144775268422011,886855d3-f1a7-4004-a736-417360e81d0a
+0.5561545970692378,57830810-1133-4c19-9a19-30183dd86a9f
+0.7972235466559661,5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75
+0.5502039499812766,c63f5f9b-ee73-4887-949b-dd1e74c31874
+0.912256003155052,d3c058ec-9b13-4a9a-aba0-d3f19091c47b
+0.34648417989028485,94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d
+0.3946385739338629,c5ef4702-fc8d-4168-b594-8d5872fdb523
+0.9679412297647962,a7e26b10-bd6b-457c-978e-9050f6529007
+0.8576347196150523,6ab8d16c-b8f3-4780-b278-dad81646ca8c

From 49477762a8033e293af01ace454afb438c03ccca Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Fri, 6 Dec 2024 12:36:55 -0800
Subject: [PATCH 04/25] Initial implementation of physical resource estimates

---
 scripts/compute_all_LREs_script.py | 114 ++++++++++++++++++++++-------
 setup.cfg                          |   1 +
 2 files changed, 87 insertions(+), 28 deletions(-)

diff --git a/scripts/compute_all_LREs_script.py b/scripts/compute_all_LREs_script.py
index d0bd861..e3889d2 100755
--- a/scripts/compute_all_LREs_script.py
+++ b/scripts/compute_all_LREs_script.py
@@ -30,10 +30,20 @@
 
 import pandas as pd
 from pyLIQTR.utils.resource_analysis import estimate_resources
+from qualtran.surface_code.algorithm_summary import AlgorithmSummary
+from qualtran.surface_code.ccz2t_cost_model import (
+    get_ccz2t_costs_from_grid_search,
+    iter_ccz2t_factories,
+)
 
 from qb_gsee_benchmark.qre import get_df_qpe_circuit
 from qb_gsee_benchmark.utils import retrieve_fcidump_from_sftp
 
+
+class NoFactoriesFoundError(Exception):
+    pass
+
+
 logger = logging.getLogger()
 logger.setLevel(logging.INFO)
 console_handler = logging.StreamHandler()
@@ -45,6 +55,30 @@
     logger.addHandler(h)
 
 
+def get_physical_cost(
+    num_logical_qubits: int,
+    num_T_gates: int,
+    hardware_failure_tolerance_per_shot: float,
+    n_factories: int,
+    physical_error_rate: float,
+):
+    n_magic = AlgorithmSummary(t_gates=num_T_gates)
+    try:
+        best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
+            n_magic=n_magic,
+            n_algo_qubits=num_logical_qubits,
+            error_budget=hardware_failure_tolerance_per_shot,
+            phys_err=physical_error_rate,
+            factory_iter=iter_ccz2t_factories(n_factories=n_factories),
+            cost_function=(lambda pc: pc.duration_hr),
+        )
+        return best_cost.duration_hr * 60 * 60, best_cost.footprint
+    except TypeError:
+        raise NoFactoriesFoundError(
+            f"No factories found that meet the performance requirements."
+        )
+
+
 def get_lqre(
     problem_instance: dict, username: str, ppk_path: str, config: dict
 ) -> dict[str, Any]:
@@ -153,37 +187,61 @@ def get_lqre(
             ).total_seconds()
             logging.info(f"Resource estimation time (seconds): {LRE_calc_time}")
 
-            solution_data.append(
-                {
-                    "task_uuid": task["task_uuid"],
-                    "error_bound": error_tolerance,
-                    "confidence_level": failure_tolerance,
-                    "quantum_resources": {
-                        "logical": {
-                            "num_logical_qubits": logical_resources["LogicalQubits"],
-                            "num_T_gates_per_shot": logical_resources["T"],
-                            "num_shots": math.ceil(num_shots),
-                            "hardware_failure_tolerance_per_shot": hardware_failure_tolerance_per_shot,
-                        }
+            task_solution_data = {
+                "task_uuid": task["task_uuid"],
+                "error_bound": error_tolerance,
+                "confidence_level": failure_tolerance,
+                "quantum_resources": {
+                    "logical": {
+                        "num_logical_qubits": logical_resources["LogicalQubits"],
+                        "num_T_gates_per_shot": logical_resources["T"],
+                        "num_shots": math.ceil(num_shots),
+                        "hardware_failure_tolerance_per_shot": hardware_failure_tolerance_per_shot,
+                    }
+                },
+                "run_time": {
+                    "preprocessing_time": {
+                        "wall_clock_start_time": circuit_generation_start_time.strftime(
+                            "%Y-%m-%dT%H:%M:%S.%f"
+                        )
+                        + "Z",
+                        "wall_clock_stop_time": circuit_generation_end_time.strftime(
+                            "%Y-%m-%dT%H:%M:%S.%f"
+                        )
+                        + "Z",
+                        "seconds": (
+                            circuit_generation_end_time - circuit_generation_start_time
+                        ).total_seconds(),
                     },
-                    "run_time": {
-                        "preprocessing_time": {
-                            "wall_clock_start_time": circuit_generation_start_time.strftime(
-                                "%Y-%m-%dT%H:%M:%S.%f"
-                            )
-                            + "Z",
-                            "wall_clock_stop_time": circuit_generation_end_time.strftime(
-                                "%Y-%m-%dT%H:%M:%S.%f"
-                            )
-                            + "Z",
-                            "seconds": (
-                                circuit_generation_end_time
-                                - circuit_generation_start_time
-                            ).total_seconds(),
-                        }
+                },
+            }
+
+            try:
+                algorithm_runtime_seconds, num_physical_qubits = get_physical_cost(
+                    num_logical_qubits=logical_resources["LogicalQubits"],
+                    num_T_gates=logical_resources["T"],
+                    hardware_failure_tolerance_per_shot=hardware_failure_tolerance_per_shot,
+                    n_factories=config["hardware_parameters"]["n_factories"],
+                    physical_error_rate=config["hardware_parameters"][
+                        "physical_error_rate"
+                    ],
+                )
+                task_solution_data["run_time"]["algorithm_run_time"] = (
+                    {
+                        "seconds": algorithm_runtime_seconds,
                     },
+                )
+                task_solution_data["run_time"]["overall_time"] = {
+                    "seconds": (
+                        circuit_generation_end_time - circuit_generation_start_time
+                    ).total_seconds()
+                    + algorithm_runtime_seconds
                 }
-            )
+            except NoFactoriesFoundError:
+                logging.info(
+                    f"No factories found that meet the performance requirements. Skipping physical cost estimation."
+                )
+            solution_data.append(task_solution_data)
 
     solution_uuid = str(uuid4())
     current_time = datetime.datetime.now(datetime.timezone.utc)
diff --git a/setup.cfg b/setup.cfg
index db60479..3826330 100644
--- a/setup.cfg
+++ b/setup.cfg
@@ -25,6 +25,7 @@ python_requires = >=3.8
 
 install_requires =
     pyLIQTR>=1.2.0
+    qualtran==0.2.0
     pyscf
     openfermion
     openfermionpyscf

From d9830f9902234fc36c4064526397823db7604942 Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Fri, 6 Dec 2024 14:19:27 -0800
Subject: [PATCH 05/25] Updating config

---
 scripts/LRE_config.json            | 7 ++++++-
 scripts/compute_all_LREs_script.py | 7 ++++++-
 2 files changed, 12 insertions(+), 2 deletions(-)

diff --git a/scripts/LRE_config.json b/scripts/LRE_config.json
index 7da759d..9181a2a 100644
--- a/scripts/LRE_config.json
+++ b/scripts/LRE_config.json
@@ -3,9 +3,14 @@
   "algorithm_parameters": {
     "overlap": 0.8,
     "df_threshold": 1e-3,
-    "max_orbitals": 32
+    "max_orbitals": 37
   },
   "algorithm_description": "Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Note that the truncation error is not included in the error bounds and that the SCF compute time is not included in the preprocessing time. Also note that unlike arXiv:2406.06335, the ground-state overlaps are not computed from DMRG but instead set to a nominal value.",
+  "quantum_hardware_parameters": {
+    "num_factories": 4,
+    "physical_error_rate": 1e-3
+  },
+  "quantum_hardware_description": "foo",
   "contact_info": [
     {
       "name": "Max Radin",
diff --git a/scripts/compute_all_LREs_script.py b/scripts/compute_all_LREs_script.py
index e3889d2..160b797 100755
--- a/scripts/compute_all_LREs_script.py
+++ b/scripts/compute_all_LREs_script.py
@@ -217,15 +217,20 @@ def get_lqre(
             }
 
             try:
+                physical_resource_estimation_start = datetime.datetime.now()
                 algorithm_runtime_seconds, num_physical_qubits = get_physical_cost(
                     num_logical_qubits=logical_resources["LogicalQubits"],
                     num_T_gates=logical_resources["T"],
                     hardware_failure_tolerance_per_shot=hardware_failure_tolerance_per_shot,
-                    n_factories=config["hardware_parameters"]["n_factories"],
+                    n_factories=config["hardware_parameters"]["num_factories"],
                     physical_error_rate=config["hardware_parameters"][
                         "physical_error_rate"
                     ],
                 )
+                physical_resource_estimation_end = datetime.datetime.now()
+                logging.info(
+                    f"Physical resource estimation time: {(physical_resource_estimation_end - physical_resource_estimation_start).total_seconds()} seconds."
+                )
                 task_solution_data["run_time"]["algorithm_run_time"] = (
                     {
                         "seconds": algorithm_runtime_seconds,

From 733c194031a0eb66682fe1c016c746e1984f9e79 Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Fri, 6 Dec 2024 15:09:07 -0800
Subject: [PATCH 06/25] Renaming LRE to QRE

---
 README.md                                     |  6 ++--
 schemas/solution.schema.0.0.1.json            | 10 +++++-
 scripts/{LRE_config.json => QRE_config.json}  |  0
 ...overlaps.json => QRE_config_overlaps.json} |  0
 ...s_script.py => compute_all_QREs_script.py} | 32 ++++++++++++++-----
 5 files changed, 36 insertions(+), 12 deletions(-)
 rename scripts/{LRE_config.json => QRE_config.json} (100%)
 rename scripts/{LRE_config_overlaps.json => QRE_config_overlaps.json} (100%)
 rename scripts/{compute_all_LREs_script.py => compute_all_QREs_script.py} (91%)

diff --git a/README.md b/README.md
index c087a71..f896aad 100644
--- a/README.md
+++ b/README.md
@@ -38,17 +38,17 @@ Contact the repository maintainers to get these.
 
 ### Generating Logical Quantum Resource Estimates
 
-The [`scripts/compute_all_LREs_script.py`](scripts/compute_all_LREs_script.py) script can be used to generate LQREs.
+The [`scripts/compute_all_QREs_script.py`](scripts/compute_all_QREs_script.py) script can be used to generate LQREs.
 In order to run this script, first ensure that the qb-gsee-benchmark package is installed as described above.
 Then, several files are required:
 
 * A PPK file containing a key to access the SFTP server that provides access to FCIDUMP files as described above.
-* A configuration file similar to [`scripts/LRE_config.json`](scripts/LRE_config.json) or [`scripts/LRE_config.json`](scripts/LRE_config_overlaps.json) which specifies algorithm parameters, solver UUID, and other information.
+* A configuration file similar to [`scripts/QRE_config.json`](scripts/QRE_config.json) or [`scripts/QRE_config.json`](scripts/QRE_config_overlaps.json) which specifies algorithm parameters, solver UUID, and other information.
 * If the `algorithm_parameters` object in the config file specifies a value for `overlap_csv`, then this CSV file must also be present. See for example [`scripts/overlaps.csv`](scripts/overlaps.csv)
 
 The paths to these files must be passed as arguments to the script, for example:
 ```bash
-python compute_all_LREs_script.py -i ../problem_instances -o ../solution_files --LRE_config_file LRE_config.json --sftp_username darpa-qb --sftp_key_file path_to_ppk_file
+python compute_all_QREs_script.py -i ../problem_instances -o ../solution_files --QRE_config_file QRE_config.json --sftp_username darpa-qb --sftp_key_file path_to_ppk_file
 ```
 
 <!-- ### Viewing Results
diff --git a/schemas/solution.schema.0.0.1.json b/schemas/solution.schema.0.0.1.json
index 9d29e66..e433fd1 100644
--- a/schemas/solution.schema.0.0.1.json
+++ b/schemas/solution.schema.0.0.1.json
@@ -133,7 +133,14 @@
                             "physical": {
                                 "title": "Physical Quantum Resources",
                                 "description": "Physical quantum resources used by the test performer. Exact structure is TBD.",
-                                "type": "object"
+                                "type": "object",
+                                "properties": {
+                                    "num_physical_qubits": {
+                                        "title": "Number of Physical Qubits",
+                                        "description": "The number of physical qubits used by the solver.",
+                                        "type": "integer",
+                                        "minimum": 0
+                                    }
                             },
                             "logical": {
                                 "title": "Logical Quantum Resources",
@@ -166,6 +173,7 @@
                                         "maximum": 1
                                     }
                                 }
+                                
                             }
                         }
                     },
diff --git a/scripts/LRE_config.json b/scripts/QRE_config.json
similarity index 100%
rename from scripts/LRE_config.json
rename to scripts/QRE_config.json
diff --git a/scripts/LRE_config_overlaps.json b/scripts/QRE_config_overlaps.json
similarity index 100%
rename from scripts/LRE_config_overlaps.json
rename to scripts/QRE_config_overlaps.json
diff --git a/scripts/compute_all_LREs_script.py b/scripts/compute_all_QREs_script.py
similarity index 91%
rename from scripts/compute_all_LREs_script.py
rename to scripts/compute_all_QREs_script.py
index 0d62706..faa7a1e 100755
--- a/scripts/compute_all_LREs_script.py
+++ b/scripts/compute_all_QREs_script.py
@@ -22,7 +22,6 @@
 import math
 import os
 import sys
-from collections import defaultdict
 from importlib.metadata import version
 from typing import Any
 from urllib.parse import urlparse
@@ -47,7 +46,7 @@ class NoFactoriesFoundError(Exception):
 logger = logging.getLogger()
 logger.setLevel(logging.INFO)
 console_handler = logging.StreamHandler()
-file_handler = logging.FileHandler("compute_all_LREs_scripts.log.txt", delay=False)
+file_handler = logging.FileHandler("compute_all_QREs_scripts.log.txt", delay=False)
 formatter = logging.Formatter("%(asctime)s - %(levelname)s - %(message)s")
 handlers = [console_handler, file_handler]
 for h in handlers:
@@ -63,6 +62,16 @@ def get_physical_cost(
     physical_error_rate: float,
 ):
     n_magic = AlgorithmSummary(t_gates=num_T_gates)
+
+    best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
+        n_magic=n_magic,
+        n_algo_qubits=num_logical_qubits,
+        error_budget=hardware_failure_tolerance_per_shot,
+        phys_err=physical_error_rate,
+        factory_iter=iter_ccz2t_factories(n_factories=n_factories),
+        cost_function=(lambda pc: pc.duration_hr),
+    )
+    return best_cost.duration_hr * 60 * 60, best_cost.footprint
     try:
         best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
             n_magic=n_magic,
@@ -227,8 +236,8 @@ def get_lqre(
                     num_logical_qubits=logical_resources["LogicalQubits"],
                     num_T_gates=logical_resources["T"],
                     hardware_failure_tolerance_per_shot=hardware_failure_tolerance_per_shot,
-                    n_factories=config["hardware_parameters"]["num_factories"],
-                    physical_error_rate=config["hardware_parameters"][
+                    n_factories=config["quantum_hardware_parameters"]["num_factories"],
+                    physical_error_rate=config["quantum_hardware_parameters"][
                         "physical_error_rate"
                     ],
                 )
@@ -247,6 +256,9 @@ def get_lqre(
                     ).total_seconds()
                     + algorithm_runtime_seconds
                 }
+                task_solution_data["quantum_resources"]["physical"] = {
+                    "num_physical_qubits": num_physical_qubits,
+                }
             except NoFactoriesFoundError:
                 logging.info(
                     f"No factories found that meet the performance requirements. Skipping physical cost estimation."
@@ -265,6 +277,10 @@ def get_lqre(
             "algorithm_description": config["algorithm_description"],
             "algorithm_parameters": config["algorithm_parameters"],
         },
+        "quantum_hardware_details": {
+            "quantum_hardware_description": config["quantum_hardware_description"],
+            "quantum_hardware_parameters": config["quantum_hardware_parameters"],
+        },
         "software_details": [
             {"software_name": "pyLIQTR", "software_version": version("pyLIQTR")},
             {
@@ -292,7 +308,7 @@ def get_lqre(
 
 def main(args: argparse.Namespace) -> None:
 
-    config = json.load(open(args.LRE_config_file, "r"))
+    config = json.load(open(args.QRE_config_file, "r"))
 
     overall_start_time = datetime.datetime.now()
     logging.info(f"===============================================")
@@ -338,7 +354,7 @@ def main(args: argparse.Namespace) -> None:
 
 if __name__ == "__main__":
     parser = argparse.ArgumentParser(
-        description="a script to calculate Logical Resource Estimates (LREs) for all problem_instance files.  Outputs are solution.uuid.json files."
+        description="a script to calculate Quantum Resource Estimates (QREs) for all problem_instance files.  Outputs are solution.uuid.json files."
     )
 
     parser.add_argument(
@@ -358,10 +374,10 @@ def main(args: argparse.Namespace) -> None:
     )
 
     parser.add_argument(
-        "--LRE_config_file",
+        "--QRE_config_file",
         type=str,
         required=True,
-        help="A JSON file with configuration options and hyperparameters for LRE and a `solver` UUID.",
+        help="A JSON file with configuration options and hyperparameters for QRE and a `solver` UUID.",
     )
 
     parser.add_argument(

From 0449913f3ad63f26b70aecf7011f0c4db4ff94a9 Mon Sep 17 00:00:00 2001
From: Alexander Kunitsa <28026247+aakunitsa@users.noreply.github.com>
Date: Mon, 9 Dec 2024 17:04:09 -0500
Subject: [PATCH 07/25] updated the overlaps csv

---
 scripts/overlaps.csv | 43 +++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 43 insertions(+)

diff --git a/scripts/overlaps.csv b/scripts/overlaps.csv
index 255c0ac..7dcb097 100644
--- a/scripts/overlaps.csv
+++ b/scripts/overlaps.csv
@@ -148,3 +148,46 @@ overlap,task_uuid
 0.3946385739338629,c5ef4702-fc8d-4168-b594-8d5872fdb523
 0.9679412297647962,a7e26b10-bd6b-457c-978e-9050f6529007
 0.8576347196150523,6ab8d16c-b8f3-4780-b278-dad81646ca8c
+0.09992893083160823,9030e9c9-0323-413c-a98e-aba16b180ba7
+0.036827566363118375,c7c653b0-4440-4a36-a66b-8b81a9a351c7
+0.004622661437687146,82f35801-6276-4090-a9aa-b821d94708d4
+0.012743778861664522,362386c9-f0c2-483e-a64d-52208ab9bbc1
+0.04875054735644377,61ad4cfe-b057-4dd8-bd06-ed56347745c1
+0.029858593221473037,fc25a232-d249-4e1c-a9ec-360cab33f779
+0.014020544488499582,b99ec02f-b46a-43fe-8a87-1b3286e072d8
+0.012249615117905756,8874bf11-f594-41df-b8a0-d2a7441904a1
+0.07238031784012608,202e6184-1e7d-4c02-a82a-f588b6abf809
+0.12551731984820436,7c8f0a36-cda5-4b33-bb46-4e58a15b37a1
+0.012743383646384096,cbab5937-5e2f-4f3f-819e-ede8b66d7238
+0.010010303308630317,c28e09e1-5983-42f7-9ecb-b271438ebcc8
+0.8962920286416001,881f5275-83eb-470c-80fe-eebb7ced30e9
+0.92399185209767,e0de65ed-e45e-46e0-a57b-c6ad4efbdafe
+0.9081167711767939,6918e02b-1e04-40bf-a800-1c9ed100d261
+0.8560933108346107,a2ad41b8-37bb-44e1-be3e-df1052952e9c
+0.8582033079313279,b4968ccd-6711-4173-8f80-f16094b3e0cd
+0.6049943297963547,ee2925f1-a302-4c21-b33c-5cb30b10270f
+0.10867714371322183,b86457a4-abf4-43c9-9c08-2397e95b7c0f
+0.06892008438561509,7148b36a-0571-4a41-9239-19a97339f68a
+0.9214381117694072,b900c4a3-fe87-4df7-96b7-2767ccdc1d56
+0.9211340347506228,4c240146-6b8b-4fa5-88e4-41cbd39c8ac3
+0.9084901830330712,7fc4c1d7-3469-40a3-9cd8-4354b6acf01d
+0.3575555133377897,09b81c3d-aee1-4bc3-98ce-a72da477b108
+0.9019915910495648,c582e543-075c-4fa1-b189-5e7455286d82
+0.2723808603059062,87d59f7c-e397-42dc-aa6e-00200d8697aa
+0.9093486600916164,eadd62e9-ee3d-4193-94de-7735a529edce
+0.5538241251646269,35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1
+0.9029863738059232,c436c481-00d1-49ec-8d0e-0a5e83a8df19
+0.92078704607746,3fa3940d-8a68-44ae-9223-7346404651e6
+0.9244780321069191,00ba4917-d66a-4335-819f-43390dfc9929
+0.9169804343466676,b628f4be-582f-4f23-96eb-c8b9e0005e4a
+0.8463886127740771,b9cc699a-80f8-4280-9731-23dee4d5a6a5
+0.4269009231326315,ab482d50-9a85-48d9-aa17-83dcbb38614b
+0.4496124185294072,db75bf65-181b-40c2-b978-26453437c2b0
+0.1593559136751708,5547bb48-fac6-4426-91ad-c4853ce421aa
+0.1898026758125691,3eccbccf-e84a-44b9-b775-cef772cd84f0
+0.8171394064150451,dfd78a05-437d-4667-88d7-7e2a3384b816
+0.2329620418714725,aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb
+0.2518945485439342,349e9cbe-d675-411f-b6b8-be846c27902c
+0.8672573920779192,79b74ad4-afa8-458f-87a3-a5ec339056c6
+0.8567759312071886,e3a07092-d1e5-4867-a4d7-d0258f9df6db
+0.860263246977401,138733f0-08f5-4077-b848-813c8ec53c79

From dfd514a62d169fc720d0d575eb5c0d17b5cabcd3 Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Mon, 9 Dec 2024 23:49:48 -0500
Subject: [PATCH 08/25] Renaming QRE back to LRE

---
 README.md                                              |  6 +++---
 scripts/{QRE_config.json => LRE_config.json}           |  0
 ...E_config_overlaps.json => LRE_config_overlaps.json} |  0
 ...e_all_QREs_script.py => compute_all_LREs_script.py} | 10 +++++-----
 4 files changed, 8 insertions(+), 8 deletions(-)
 rename scripts/{QRE_config.json => LRE_config.json} (100%)
 rename scripts/{QRE_config_overlaps.json => LRE_config_overlaps.json} (100%)
 rename scripts/{compute_all_QREs_script.py => compute_all_LREs_script.py} (97%)

diff --git a/README.md b/README.md
index f896aad..d8690d3 100644
--- a/README.md
+++ b/README.md
@@ -38,17 +38,17 @@ Contact the repository maintainers to get these.
 
 ### Generating Logical Quantum Resource Estimates
 
-The [`scripts/compute_all_QREs_script.py`](scripts/compute_all_QREs_script.py) script can be used to generate LQREs.
+The [`scripts/compute_all_LREs_script.py`](scripts/compute_all_LREs_script.py) script can be used to generate LQREs.
 In order to run this script, first ensure that the qb-gsee-benchmark package is installed as described above.
 Then, several files are required:
 
 * A PPK file containing a key to access the SFTP server that provides access to FCIDUMP files as described above.
-* A configuration file similar to [`scripts/QRE_config.json`](scripts/QRE_config.json) or [`scripts/QRE_config.json`](scripts/QRE_config_overlaps.json) which specifies algorithm parameters, solver UUID, and other information.
+* A configuration file similar to [`scripts/LRE_config.json`](scripts/LRE_config.json) or [`scripts/LRE_config.json`](scripts/LRE_config_overlaps.json) which specifies algorithm parameters, solver UUID, and other information.
 * If the `algorithm_parameters` object in the config file specifies a value for `overlap_csv`, then this CSV file must also be present. See for example [`scripts/overlaps.csv`](scripts/overlaps.csv)
 
 The paths to these files must be passed as arguments to the script, for example:
 ```bash
-python compute_all_QREs_script.py -i ../problem_instances -o ../solution_files --QRE_config_file QRE_config.json --sftp_username darpa-qb --sftp_key_file path_to_ppk_file
+python compute_all_QREs_script.py -i ../problem_instances -o ../solution_files --LRE_config_file LRE_config.json --sftp_username darpa-qb --sftp_key_file path_to_ppk_file
 ```
 
 <!-- ### Viewing Results
diff --git a/scripts/QRE_config.json b/scripts/LRE_config.json
similarity index 100%
rename from scripts/QRE_config.json
rename to scripts/LRE_config.json
diff --git a/scripts/QRE_config_overlaps.json b/scripts/LRE_config_overlaps.json
similarity index 100%
rename from scripts/QRE_config_overlaps.json
rename to scripts/LRE_config_overlaps.json
diff --git a/scripts/compute_all_QREs_script.py b/scripts/compute_all_LREs_script.py
similarity index 97%
rename from scripts/compute_all_QREs_script.py
rename to scripts/compute_all_LREs_script.py
index faa7a1e..101e6da 100755
--- a/scripts/compute_all_QREs_script.py
+++ b/scripts/compute_all_LREs_script.py
@@ -46,7 +46,7 @@ class NoFactoriesFoundError(Exception):
 logger = logging.getLogger()
 logger.setLevel(logging.INFO)
 console_handler = logging.StreamHandler()
-file_handler = logging.FileHandler("compute_all_QREs_scripts.log.txt", delay=False)
+file_handler = logging.FileHandler("compute_all_LREs_scripts.log.txt", delay=False)
 formatter = logging.Formatter("%(asctime)s - %(levelname)s - %(message)s")
 handlers = [console_handler, file_handler]
 for h in handlers:
@@ -308,7 +308,7 @@ def get_lqre(
 
 def main(args: argparse.Namespace) -> None:
 
-    config = json.load(open(args.QRE_config_file, "r"))
+    config = json.load(open(args.LRE_config_file, "r"))
 
     overall_start_time = datetime.datetime.now()
     logging.info(f"===============================================")
@@ -354,7 +354,7 @@ def main(args: argparse.Namespace) -> None:
 
 if __name__ == "__main__":
     parser = argparse.ArgumentParser(
-        description="a script to calculate Quantum Resource Estimates (QREs) for all problem_instance files.  Outputs are solution.uuid.json files."
+        description="a script to calculate Logical Resource Estimates (LREs) for all problem_instance files.  Outputs are solution.uuid.json files."
     )
 
     parser.add_argument(
@@ -374,10 +374,10 @@ def main(args: argparse.Namespace) -> None:
     )
 
     parser.add_argument(
-        "--QRE_config_file",
+        "--LRE_config_file",
         type=str,
         required=True,
-        help="A JSON file with configuration options and hyperparameters for QRE and a `solver` UUID.",
+        help="A JSON file with configuration options and hyperparameters for LRE and a `solver` UUID.",
     )
 
     parser.add_argument(

From 82f415e1ce6b55d6919cf793655dae687edcc677 Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Tue, 10 Dec 2024 00:04:59 -0500
Subject: [PATCH 09/25] Moving PREs to separate script (wip)

---
 scripts/compute_all_LREs_script.py | 127 ++++-----------
 scripts/compute_all_PREs_script.py | 251 +++++++++++++++++++++++++++++
 2 files changed, 279 insertions(+), 99 deletions(-)
 create mode 100755 scripts/compute_all_PREs_script.py

diff --git a/scripts/compute_all_LREs_script.py b/scripts/compute_all_LREs_script.py
index 101e6da..1dae915 100755
--- a/scripts/compute_all_LREs_script.py
+++ b/scripts/compute_all_LREs_script.py
@@ -29,11 +29,6 @@
 
 import pandas as pd
 from pyLIQTR.utils.resource_analysis import estimate_resources
-from qualtran.surface_code.algorithm_summary import AlgorithmSummary
-from qualtran.surface_code.ccz2t_cost_model import (
-    get_ccz2t_costs_from_grid_search,
-    iter_ccz2t_factories,
-)
 
 from qb_gsee_benchmark.qre import get_df_qpe_circuit
 from qb_gsee_benchmark.utils import retrieve_fcidump_from_sftp
@@ -54,40 +49,6 @@ class NoFactoriesFoundError(Exception):
     logger.addHandler(h)
 
 
-def get_physical_cost(
-    num_logical_qubits: int,
-    num_T_gates: int,
-    hardware_failure_tolerance_per_shot: float,
-    n_factories: int,
-    physical_error_rate: float,
-):
-    n_magic = AlgorithmSummary(t_gates=num_T_gates)
-
-    best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
-        n_magic=n_magic,
-        n_algo_qubits=num_logical_qubits,
-        error_budget=hardware_failure_tolerance_per_shot,
-        phys_err=physical_error_rate,
-        factory_iter=iter_ccz2t_factories(n_factories=n_factories),
-        cost_function=(lambda pc: pc.duration_hr),
-    )
-    return best_cost.duration_hr * 60 * 60, best_cost.footprint
-    try:
-        best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
-            n_magic=n_magic,
-            n_algo_qubits=num_logical_qubits,
-            error_budget=hardware_failure_tolerance_per_shot,
-            phys_err=physical_error_rate,
-            factory_iter=iter_ccz2t_factories(n_factories=n_factories),
-            cost_function=(lambda pc: pc.duration_hr),
-        )
-        return best_cost.duration_hr * 60 * 60, best_cost.footprint
-    except TypeError:
-        raise NoFactoriesFoundError(
-            f"No factories found that meet the performance requirements."
-        )
-
-
 def get_lqre(
     problem_instance: dict, username: str, ppk_path: str, config: dict
 ) -> dict[str, Any]:
@@ -201,69 +162,37 @@ def get_lqre(
             ).total_seconds()
             logging.info(f"Resource estimation time (seconds): {LRE_calc_time}")
 
-            task_solution_data = {
-                "task_uuid": task["task_uuid"],
-                "error_bound": error_tolerance,
-                "confidence_level": failure_tolerance,
-                "quantum_resources": {
-                    "logical": {
-                        "num_logical_qubits": logical_resources["LogicalQubits"],
-                        "num_T_gates_per_shot": logical_resources["T"],
-                        "num_shots": math.ceil(num_shots),
-                        "hardware_failure_tolerance_per_shot": hardware_failure_tolerance_per_shot,
-                    }
-                },
-                "run_time": {
-                    "preprocessing_time": {
-                        "wall_clock_start_time": circuit_generation_start_time.strftime(
-                            "%Y-%m-%dT%H:%M:%S.%f"
-                        )
-                        + "Z",
-                        "wall_clock_stop_time": circuit_generation_end_time.strftime(
-                            "%Y-%m-%dT%H:%M:%S.%f"
-                        )
-                        + "Z",
-                        "seconds": (
-                            circuit_generation_end_time - circuit_generation_start_time
-                        ).total_seconds(),
+            solution_data.append(
+                {
+                    "task_uuid": task["task_uuid"],
+                    "error_bound": error_tolerance,
+                    "confidence_level": failure_tolerance,
+                    "quantum_resources": {
+                        "logical": {
+                            "num_logical_qubits": logical_resources["LogicalQubits"],
+                            "num_T_gates_per_shot": logical_resources["T"],
+                            "num_shots": math.ceil(num_shots),
+                            "hardware_failure_tolerance_per_shot": hardware_failure_tolerance_per_shot,
+                        }
                     },
-                },
-            }
-
-            try:
-                physical_resource_estimation_start = datetime.datetime.now()
-                algorithm_runtime_seconds, num_physical_qubits = get_physical_cost(
-                    num_logical_qubits=logical_resources["LogicalQubits"],
-                    num_T_gates=logical_resources["T"],
-                    hardware_failure_tolerance_per_shot=hardware_failure_tolerance_per_shot,
-                    n_factories=config["quantum_hardware_parameters"]["num_factories"],
-                    physical_error_rate=config["quantum_hardware_parameters"][
-                        "physical_error_rate"
-                    ],
-                )
-                physical_resource_estimation_end = datetime.datetime.now()
-                logging.info(
-                    f"Physical resource estimation time: {(physical_resource_estimation_end - physical_resource_estimation_start).total_seconds()} seconds."
-                )
-                task_solution_data["run_time"]["algorithm_run_time"] = (
-                    {
-                        "seconds": algorithm_runtime_seconds,
+                    "run_time": {
+                        "preprocessing_time": {
+                            "wall_clock_start_time": circuit_generation_start_time.strftime(
+                                "%Y-%m-%dT%H:%M:%S.%f"
+                            )
+                            + "Z",
+                            "wall_clock_stop_time": circuit_generation_end_time.strftime(
+                                "%Y-%m-%dT%H:%M:%S.%f"
+                            )
+                            + "Z",
+                            "seconds": (
+                                circuit_generation_end_time
+                                - circuit_generation_start_time
+                            ).total_seconds(),
+                        },
                     },
-                )
-                task_solution_data["run_time"]["overall_time"] = {
-                    "seconds": (
-                        circuit_generation_end_time - circuit_generation_start_time
-                    ).total_seconds()
-                    + algorithm_runtime_seconds
-                }
-                task_solution_data["quantum_resources"]["physical"] = {
-                    "num_physical_qubits": num_physical_qubits,
                 }
-            except NoFactoriesFoundError:
-                logging.info(
-                    f"No factories found that meet the performance requirements. Skipping physical cost estimation."
-                )
-            solution_data.append(task_solution_data)
+            )
 
     solution_uuid = str(uuid4())
     current_time = datetime.datetime.now(datetime.timezone.utc)
diff --git a/scripts/compute_all_PREs_script.py b/scripts/compute_all_PREs_script.py
new file mode 100755
index 0000000..a278efe
--- /dev/null
+++ b/scripts/compute_all_PREs_script.py
@@ -0,0 +1,251 @@
+#!/usr/bin/env python3
+
+# Copyright 2024 L3Harris Technologies, Inc.
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+# http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+
+import argparse
+import copy
+import datetime
+import json
+import logging
+import math
+import os
+import sys
+from importlib.metadata import version
+from typing import Any
+from urllib.parse import urlparse
+from uuid import uuid4
+
+from pyLIQTR.utils.resource_analysis import estimate_resources
+from qualtran.surface_code.algorithm_summary import AlgorithmSummary
+from qualtran.surface_code.ccz2t_cost_model import (
+    get_ccz2t_costs_from_grid_search,
+    iter_ccz2t_factories,
+)
+
+from qb_gsee_benchmark.qre import get_df_qpe_circuit
+from qb_gsee_benchmark.utils import retrieve_fcidump_from_sftp
+
+
+class NoFactoriesFoundError(Exception):
+    pass
+
+
+logger = logging.getLogger()
+logger.setLevel(logging.INFO)
+console_handler = logging.StreamHandler()
+file_handler = logging.FileHandler("compute_all_QREs_scripts.log.txt", delay=False)
+formatter = logging.Formatter("%(asctime)s - %(levelname)s - %(message)s")
+handlers = [console_handler, file_handler]
+for h in handlers:
+    h.setFormatter(formatter)
+    logger.addHandler(h)
+
+
+def get_physical_cost(
+    num_logical_qubits: int,
+    num_T_gates: int,
+    hardware_failure_tolerance_per_shot: float,
+    n_factories: int,
+    physical_error_rate: float,
+):
+    n_magic = AlgorithmSummary(t_gates=num_T_gates)
+
+    best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
+        n_magic=n_magic,
+        n_algo_qubits=num_logical_qubits,
+        error_budget=hardware_failure_tolerance_per_shot,
+        phys_err=physical_error_rate,
+        factory_iter=iter_ccz2t_factories(n_factories=n_factories),
+        cost_function=(lambda pc: pc.duration_hr),
+    )
+    return best_cost.duration_hr * 60 * 60, best_cost.footprint
+    try:
+        best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
+            n_magic=n_magic,
+            n_algo_qubits=num_logical_qubits,
+            error_budget=hardware_failure_tolerance_per_shot,
+            phys_err=physical_error_rate,
+            factory_iter=iter_ccz2t_factories(n_factories=n_factories),
+            cost_function=(lambda pc: pc.duration_hr),
+        )
+        return best_cost.duration_hr * 60 * 60, best_cost.footprint
+    except TypeError:
+        raise NoFactoriesFoundError(
+            f"No factories found that meet the performance requirements."
+        )
+
+
+def get_pqre(solution_lre: dict, config: dict) -> dict[str, Any]:
+    problem_instance_uuid = problem_instance["problem_instance_uuid"]
+    problem_instance_short_name = problem_instance["short_name"]
+    logging.info(f"solution UUID: {solution_lre['solution_uuid']}")
+
+    solution_pre = copy.deepcopy(solution_lre)
+
+    for task_solution_data in solution_pre["solution_data"]:
+        logging.info(f"Analyzing task {task_solution_data['task_uuid']}...")
+        try:
+            physical_resource_estimation_start = datetime.datetime.now()
+            algorithm_runtime_seconds, num_physical_qubits = get_physical_cost(
+                num_logical_qubits=task_solution_data["quantum_resources"]["logical"][
+                    "num_logical_qubits"
+                ],
+                num_T_gates=task_solution_data["quantum_resources"]["logical"][
+                    "num_T_gates_per_shot"
+                ],
+                hardware_failure_tolerance_per_shot=task_solution_data[
+                    "quantum_resources"
+                ]["logical"]["hardware_failure_tolerance_per_shot"],
+                n_factories=config["quantum_hardware_parameters"]["num_factories"],
+                physical_error_rate=config["quantum_hardware_parameters"][
+                    "physical_error_rate"
+                ],
+            )
+            physical_resource_estimation_end = datetime.datetime.now()
+            logging.info(
+                f"Physical resource estimation time: {(physical_resource_estimation_end - physical_resource_estimation_start).total_seconds()} seconds."
+            )
+            task_solution_data["run_time"]["algorithm_run_time"] = (
+                {
+                    "seconds": algorithm_runtime_seconds,
+                },
+            )
+            task_solution_data["run_time"]["overall_time"] = {
+                task_solution_data["run_time"]["preprocessing"]["seconds"]
+                + algorithm_runtime_seconds
+            }
+            task_solution_data["quantum_resources"]["physical"] = {
+                "num_physical_qubits": num_physical_qubits,
+            }
+        except NoFactoriesFoundError:
+            logging.info(
+                f"No factories found that meet the performance requirements. Skipping physical cost estimation."
+            )
+
+    solution_uuid = str(uuid4())
+    current_time = datetime.datetime.now(datetime.timezone.utc)
+    current_time_string = current_time.strftime("%Y-%m-%dT%H:%M:%S.%f") + "Z"
+
+    solution_pre["solution_uuid"] = solution_uuid
+    solution_pre["creation_timestamp"] = current_time_string
+    solution_pre["contact_info"] = config["contact_info"]
+    solution_pre["solver_details"]["software_details"].append(
+        {
+            "software_name": "qualtran",
+            "software_version": version("qualtran"),
+        }
+    )
+
+    solution_pre["solver_details"]["quantum_hardware_details"] = {
+        "quantum_hardware_description": config["quantum_hardware_description"],
+        "quantum_hardware_parameters": config["quantum_hardware_parameters"],
+    }
+    solution_pre["solver_details"]["solver_uuid"] = config["solver_uuid"]
+    solution_pre["digital_signature"] = None
+
+    return solution_pre
+
+
+def main(args: argparse.Namespace) -> None:
+
+    config = json.load(open(args.QRE_config_file, "r"))
+
+    overall_start_time = datetime.datetime.now()
+    logging.info(f"===============================================")
+    logging.info(f"overall start time: {overall_start_time}")
+    logging.info(f"input directory: {args.input_dir}")
+
+    input_dir = args.input_dir
+
+    problem_instance_files = os.listdir(input_dir)
+    logging.info(f"parsing {len(problem_instance_files)} files in the input directory")
+    for p in problem_instance_files:
+        logging.info(f"file: {p}")
+
+    for problem_instance_file_name in problem_instance_files:
+        problem_instance_path = os.path.join(input_dir, problem_instance_file_name)
+        logging.info(f"parsing {problem_instance_path}")
+        with open(problem_instance_path, "r") as jf:
+            problem_instance = json.load(jf)
+
+            resource_estimate = get_lqre(
+                problem_instance, args.sftp_username, args.sftp_key_file, config=config
+            )
+            if len(resource_estimate["solution_data"]) > 0:
+                with open(
+                    os.path.join(
+                        args.output_dir,
+                        f"{problem_instance['problem_instance_uuid']}_sol_{resource_estimate['solution_uuid']}.json",
+                    ),
+                    "w",
+                ) as f:
+                    json.dump(resource_estimate, f, indent=4)
+
+    # Print overall time.
+    # ===============================================================
+    overall_stop_time = datetime.datetime.now()
+    logging.info(f"done.")
+    logging.info(f"overall start time: {overall_start_time}")
+    logging.info(f"overall stop time: {overall_stop_time}")
+    logging.info(
+        f"run time (seconds): {(overall_stop_time - overall_start_time).total_seconds()}"
+    )
+
+
+if __name__ == "__main__":
+    parser = argparse.ArgumentParser(
+        description="a script to calculate Quantum Resource Estimates (QREs) for all problem_instance files.  Outputs are solution.uuid.json files."
+    )
+
+    parser.add_argument(
+        "-i",
+        "--input_dir",
+        type=str,
+        required=True,
+        help="Specify directory for problem_instances (.json files)",
+    )
+
+    parser.add_argument(
+        "-o",
+        "--output_dir",
+        type=str,
+        required=True,
+        help="Specify directory to save resource estimates to (.json files)",
+    )
+
+    parser.add_argument(
+        "--QRE_config_file",
+        type=str,
+        required=True,
+        help="A JSON file with configuration options and hyperparameters for QRE and a `solver` UUID.",
+    )
+
+    parser.add_argument(
+        "--sftp_username",
+        type=str,
+        required=True,
+        help="username for SFTP server where FCIDUMP files are stored.",
+    )
+
+    parser.add_argument(
+        "--sftp_key_file",
+        type=str,
+        required=True,
+        help="local/path/to/the/keyfile for the SFTP server (corresponding to sftp_username)",
+    )
+
+    args = parser.parse_args()
+    main(args)

From ea9bb01751875ba5ec0b3138ffa9e99275ac4ddf Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Tue, 10 Dec 2024 00:10:04 -0500
Subject: [PATCH 10/25] Finishing separation of PREs into new script

---
 scripts/compute_all_PREs_script.py | 62 ++++++++----------------------
 1 file changed, 17 insertions(+), 45 deletions(-)

diff --git a/scripts/compute_all_PREs_script.py b/scripts/compute_all_PREs_script.py
index a278efe..8b770dd 100755
--- a/scripts/compute_all_PREs_script.py
+++ b/scripts/compute_all_PREs_script.py
@@ -60,18 +60,8 @@ def get_physical_cost(
     hardware_failure_tolerance_per_shot: float,
     n_factories: int,
     physical_error_rate: float,
-):
+) -> tuple[float, int]:
     n_magic = AlgorithmSummary(t_gates=num_T_gates)
-
-    best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
-        n_magic=n_magic,
-        n_algo_qubits=num_logical_qubits,
-        error_budget=hardware_failure_tolerance_per_shot,
-        phys_err=physical_error_rate,
-        factory_iter=iter_ccz2t_factories(n_factories=n_factories),
-        cost_function=(lambda pc: pc.duration_hr),
-    )
-    return best_cost.duration_hr * 60 * 60, best_cost.footprint
     try:
         best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
             n_magic=n_magic,
@@ -89,8 +79,6 @@ def get_physical_cost(
 
 
 def get_pqre(solution_lre: dict, config: dict) -> dict[str, Any]:
-    problem_instance_uuid = problem_instance["problem_instance_uuid"]
-    problem_instance_short_name = problem_instance["short_name"]
     logging.info(f"solution UUID: {solution_lre['solution_uuid']}")
 
     solution_pre = copy.deepcopy(solution_lre)
@@ -170,25 +158,23 @@ def main(args: argparse.Namespace) -> None:
 
     input_dir = args.input_dir
 
-    problem_instance_files = os.listdir(input_dir)
-    logging.info(f"parsing {len(problem_instance_files)} files in the input directory")
-    for p in problem_instance_files:
-        logging.info(f"file: {p}")
+    solution_lre_files = os.listdir(input_dir)
+    logging.info(f"parsing {len(solution_lre_files)} files in the input directory")
+    for s in solution_lre_files:
+        logging.info(f"file: {s}")
 
-    for problem_instance_file_name in problem_instance_files:
-        problem_instance_path = os.path.join(input_dir, problem_instance_file_name)
-        logging.info(f"parsing {problem_instance_path}")
-        with open(problem_instance_path, "r") as jf:
-            problem_instance = json.load(jf)
+    for solution_lre_file_name in solution_lre_files:
+        solution_lre_path = os.path.join(input_dir, solution_lre_file_name)
+        logging.info(f"parsing {solution_lre_path}")
+        with open(solution_lre_path, "r") as jf:
+            solution_lre = json.load(jf)
 
-            resource_estimate = get_lqre(
-                problem_instance, args.sftp_username, args.sftp_key_file, config=config
-            )
+            resource_estimate = get_pqre(solution_lre=solution_lre, config=config)
             if len(resource_estimate["solution_data"]) > 0:
                 with open(
                     os.path.join(
                         args.output_dir,
-                        f"{problem_instance['problem_instance_uuid']}_sol_{resource_estimate['solution_uuid']}.json",
+                        f"{resource_estimate['problem_instance_uuid']}_sol_{resource_estimate['solution_uuid']}.json",
                     ),
                     "w",
                 ) as f:
@@ -207,7 +193,7 @@ def main(args: argparse.Namespace) -> None:
 
 if __name__ == "__main__":
     parser = argparse.ArgumentParser(
-        description="a script to calculate Quantum Resource Estimates (QREs) for all problem_instance files.  Outputs are solution.uuid.json files."
+        description="a script to calculate Physical Resource Estimates (PREs) for all solution files containing Logical Resource Estimates (LREs).  Outputs are solution.uuid.json files."
     )
 
     parser.add_argument(
@@ -215,7 +201,7 @@ def main(args: argparse.Namespace) -> None:
         "--input_dir",
         type=str,
         required=True,
-        help="Specify directory for problem_instances (.json files)",
+        help="Specify directory for solution logical resource estiamtes (.json files)",
     )
 
     parser.add_argument(
@@ -223,28 +209,14 @@ def main(args: argparse.Namespace) -> None:
         "--output_dir",
         type=str,
         required=True,
-        help="Specify directory to save resource estimates to (.json files)",
-    )
-
-    parser.add_argument(
-        "--QRE_config_file",
-        type=str,
-        required=True,
-        help="A JSON file with configuration options and hyperparameters for QRE and a `solver` UUID.",
-    )
-
-    parser.add_argument(
-        "--sftp_username",
-        type=str,
-        required=True,
-        help="username for SFTP server where FCIDUMP files are stored.",
+        help="Specify directory to save physical resource estimates to (.json files)",
     )
 
     parser.add_argument(
-        "--sftp_key_file",
+        "--PRE_config_file",
         type=str,
         required=True,
-        help="local/path/to/the/keyfile for the SFTP server (corresponding to sftp_username)",
+        help="A JSON file with configuration options and hyperparameters for PRE and a `solver` UUID.",
     )
 
     args = parser.parse_args()

From f9db084678dcd491710623ade0d772df0afd167a Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Tue, 10 Dec 2024 13:45:52 -0500
Subject: [PATCH 11/25] Getting PRE script to work

---
 README.md                          | 13 +++++++++++++
 scripts/LRE_config.json            |  5 -----
 scripts/PRE_config.json            | 15 +++++++++++++++
 scripts/compute_all_PREs_script.py | 25 ++++++++-----------------
 4 files changed, 36 insertions(+), 22 deletions(-)
 create mode 100644 scripts/PRE_config.json

diff --git a/README.md b/README.md
index d8690d3..5c8b599 100644
--- a/README.md
+++ b/README.md
@@ -51,6 +51,19 @@ The paths to these files must be passed as arguments to the script, for example:
 python compute_all_QREs_script.py -i ../problem_instances -o ../solution_files --LRE_config_file LRE_config.json --sftp_username darpa-qb --sftp_key_file path_to_ppk_file
 ```
 
+### Generating Physical Quantum Resource Estimates
+
+Given a set of solution files containing logical quantum resource estimates, the [`scripts/compute_all_PREs_script.py`](scripts/compute_all_PREs_script.py) script can be used to generate physical resource estimates.
+In addition to having solution files with LREs, you also must have a configuration file similar to [`scripts/PRE_config.json`](scripts/PRE_config.json) which specifies hardware parameters and other information.
+The newly generated solution files will contain runtime estimates and physical quantum resources.
+Note that these solution files will have new solution IDs that differ from the input LRE solution files.
+It is also recommended to specify a solver UUID in the PRE config file that is different from the solver UUID for the LRE.
+
+The PREs can be generated using a command such as:
+```bash
+python compute_all_QREs_script.py -i LRE_solution_files -o ../solution_files -PLRE_config_file PRE_config.json
+```
+
 <!-- ### Viewing Results
 After running the benchmarks, generate a summary of performance:
 ```bash
diff --git a/scripts/LRE_config.json b/scripts/LRE_config.json
index 9181a2a..af0190d 100644
--- a/scripts/LRE_config.json
+++ b/scripts/LRE_config.json
@@ -6,11 +6,6 @@
     "max_orbitals": 37
   },
   "algorithm_description": "Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Note that the truncation error is not included in the error bounds and that the SCF compute time is not included in the preprocessing time. Also note that unlike arXiv:2406.06335, the ground-state overlaps are not computed from DMRG but instead set to a nominal value.",
-  "quantum_hardware_parameters": {
-    "num_factories": 4,
-    "physical_error_rate": 1e-3
-  },
-  "quantum_hardware_description": "foo",
   "contact_info": [
     {
       "name": "Max Radin",
diff --git a/scripts/PRE_config.json b/scripts/PRE_config.json
new file mode 100644
index 0000000..0bb29b4
--- /dev/null
+++ b/scripts/PRE_config.json
@@ -0,0 +1,15 @@
+{
+  "solver_uuid": "5dad4064-cd11-412f-85cb-d722afe3b3de",
+  "quantum_hardware_parameters": {
+    "num_factories": 4,
+    "physical_error_rate": 1e-4
+  },
+  "quantum_hardware_description": "foo",
+  "contact_info": [
+    {
+      "name": "Max Radin",
+      "email": "radin.max@gmail.com",
+      "institution": "L3Harris"
+    }
+  ]
+}
diff --git a/scripts/compute_all_PREs_script.py b/scripts/compute_all_PREs_script.py
index 8b770dd..872df9a 100755
--- a/scripts/compute_all_PREs_script.py
+++ b/scripts/compute_all_PREs_script.py
@@ -20,24 +20,17 @@
 import datetime
 import json
 import logging
-import math
 import os
-import sys
 from importlib.metadata import version
 from typing import Any
-from urllib.parse import urlparse
 from uuid import uuid4
 
-from pyLIQTR.utils.resource_analysis import estimate_resources
 from qualtran.surface_code.algorithm_summary import AlgorithmSummary
 from qualtran.surface_code.ccz2t_cost_model import (
     get_ccz2t_costs_from_grid_search,
     iter_ccz2t_factories,
 )
 
-from qb_gsee_benchmark.qre import get_df_qpe_circuit
-from qb_gsee_benchmark.utils import retrieve_fcidump_from_sftp
-
 
 class NoFactoriesFoundError(Exception):
     pass
@@ -82,7 +75,6 @@ def get_pqre(solution_lre: dict, config: dict) -> dict[str, Any]:
     logging.info(f"solution UUID: {solution_lre['solution_uuid']}")
 
     solution_pre = copy.deepcopy(solution_lre)
-
     for task_solution_data in solution_pre["solution_data"]:
         logging.info(f"Analyzing task {task_solution_data['task_uuid']}...")
         try:
@@ -106,15 +98,14 @@ def get_pqre(solution_lre: dict, config: dict) -> dict[str, Any]:
             logging.info(
                 f"Physical resource estimation time: {(physical_resource_estimation_end - physical_resource_estimation_start).total_seconds()} seconds."
             )
-            task_solution_data["run_time"]["algorithm_run_time"] = (
-                {
-                    "seconds": algorithm_runtime_seconds,
-                },
-            )
-            task_solution_data["run_time"]["overall_time"] = {
-                task_solution_data["run_time"]["preprocessing"]["seconds"]
-                + algorithm_runtime_seconds
+            task_solution_data["run_time"]["algorithm_run_time"] = {
+                "seconds": algorithm_runtime_seconds,
             }
+            task_solution_data["run_time"]["overall_time"] = (
+                task_solution_data["run_time"]["preprocessing_time"]["seconds"]
+                + algorithm_runtime_seconds
+            )
+
             task_solution_data["quantum_resources"]["physical"] = {
                 "num_physical_qubits": num_physical_qubits,
             }
@@ -149,7 +140,7 @@ def get_pqre(solution_lre: dict, config: dict) -> dict[str, Any]:
 
 def main(args: argparse.Namespace) -> None:
 
-    config = json.load(open(args.QRE_config_file, "r"))
+    config = json.load(open(args.PRE_config_file, "r"))
 
     overall_start_time = datetime.datetime.now()
     logging.info(f"===============================================")

From 9d7d761d5d649a97bdb2159d21462b9ac5e6214d Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Tue, 10 Dec 2024 16:21:04 -0500
Subject: [PATCH 12/25] Adding quantum hardware details to sol file

---
 scripts/PRE_config.json            |  5 ++--
 scripts/compute_all_PREs_script.py | 38 ++++++++++++++++++++++++------
 2 files changed, 34 insertions(+), 9 deletions(-)

diff --git a/scripts/PRE_config.json b/scripts/PRE_config.json
index 0bb29b4..36ecca8 100644
--- a/scripts/PRE_config.json
+++ b/scripts/PRE_config.json
@@ -2,9 +2,10 @@
   "solver_uuid": "5dad4064-cd11-412f-85cb-d722afe3b3de",
   "quantum_hardware_parameters": {
     "num_factories": 4,
-    "physical_error_rate": 1e-4
+    "physical_error_rate": 1e-4,
+    "cycle_time_microseconds": 1
   },
-  "quantum_hardware_description": "foo",
+  "quantum_hardware_description": "Optimistic superconducting hardware model based on that described in https://arxiv.org/abs/2011.03494.",
   "contact_info": [
     {
       "name": "Max Radin",
diff --git a/scripts/compute_all_PREs_script.py b/scripts/compute_all_PREs_script.py
index 872df9a..b6571a7 100755
--- a/scripts/compute_all_PREs_script.py
+++ b/scripts/compute_all_PREs_script.py
@@ -27,9 +27,12 @@
 
 from qualtran.surface_code.algorithm_summary import AlgorithmSummary
 from qualtran.surface_code.ccz2t_cost_model import (
+    CCZ2TFactory,
     get_ccz2t_costs_from_grid_search,
     iter_ccz2t_factories,
 )
+from qualtran.surface_code.data_block import SimpleDataBlock
+from qualtran.surface_code.physical_cost import PhysicalCost
 
 
 class NoFactoriesFoundError(Exception):
@@ -53,18 +56,20 @@ def get_physical_cost(
     hardware_failure_tolerance_per_shot: float,
     n_factories: int,
     physical_error_rate: float,
-) -> tuple[float, int]:
+    cycle_time_us: float,
+) -> tuple[PhysicalCost, CCZ2TFactory, SimpleDataBlock]:
     n_magic = AlgorithmSummary(t_gates=num_T_gates)
     try:
         best_cost, best_factory, best_data_block = get_ccz2t_costs_from_grid_search(
             n_magic=n_magic,
             n_algo_qubits=num_logical_qubits,
             error_budget=hardware_failure_tolerance_per_shot,
+            cycle_time_us=cycle_time_us,
             phys_err=physical_error_rate,
             factory_iter=iter_ccz2t_factories(n_factories=n_factories),
             cost_function=(lambda pc: pc.duration_hr),
         )
-        return best_cost.duration_hr * 60 * 60, best_cost.footprint
+        return best_cost, best_factory, best_data_block
     except TypeError:
         raise NoFactoriesFoundError(
             f"No factories found that meet the performance requirements."
@@ -79,7 +84,8 @@ def get_pqre(solution_lre: dict, config: dict) -> dict[str, Any]:
         logging.info(f"Analyzing task {task_solution_data['task_uuid']}...")
         try:
             physical_resource_estimation_start = datetime.datetime.now()
-            algorithm_runtime_seconds, num_physical_qubits = get_physical_cost(
+
+            cost, factory, data_block = get_physical_cost(
                 num_logical_qubits=task_solution_data["quantum_resources"]["logical"][
                     "num_logical_qubits"
                 ],
@@ -93,21 +99,33 @@ def get_pqre(solution_lre: dict, config: dict) -> dict[str, Any]:
                 physical_error_rate=config["quantum_hardware_parameters"][
                     "physical_error_rate"
                 ],
+                cycle_time_us=config["quantum_hardware_parameters"][
+                    "cycle_time_microseconds"
+                ],
             )
             physical_resource_estimation_end = datetime.datetime.now()
             logging.info(
                 f"Physical resource estimation time: {(physical_resource_estimation_end - physical_resource_estimation_start).total_seconds()} seconds."
             )
+
+            algorithm_runtime_seconds = cost.duration_hr * 60 * 60
+            num_physical_qubits = cost.footprint
             task_solution_data["run_time"]["algorithm_run_time"] = {
                 "seconds": algorithm_runtime_seconds,
             }
-            task_solution_data["run_time"]["overall_time"] = (
-                task_solution_data["run_time"]["preprocessing_time"]["seconds"]
+            task_solution_data["run_time"]["overall_time"] = {
+                "seconds": task_solution_data["run_time"]["preprocessing_time"][
+                    "seconds"
+                ]
                 + algorithm_runtime_seconds
-            )
+            }
 
             task_solution_data["quantum_resources"]["physical"] = {
                 "num_physical_qubits": num_physical_qubits,
+                "distillation_layer_1_code_distance": factory.base_factory.distillation_l1_d,
+                "distillation_layer_2_code_distance": factory.base_factory.distillation_l2_d,
+                "data_code_distance": data_block.data_d,
+                "data_routing_overhead": data_block.routing_overhead,
             }
         except NoFactoriesFoundError:
             logging.info(
@@ -134,6 +152,12 @@ def get_pqre(solution_lre: dict, config: dict) -> dict[str, Any]:
     }
     solution_pre["solver_details"]["solver_uuid"] = config["solver_uuid"]
     solution_pre["digital_signature"] = None
+    solution_pre["solver_details"][
+        "logical_resource_estimate_solution_uuid"
+    ] = solution_lre["solution_uuid"]
+    solution_pre["solver_details"][
+        "logical_resource_estimate_solver_uuid"
+    ] = solution_lre["solver_details"]["solver_uuid"]
 
     return solution_pre
 
@@ -184,7 +208,7 @@ def main(args: argparse.Namespace) -> None:
 
 if __name__ == "__main__":
     parser = argparse.ArgumentParser(
-        description="a script to calculate Physical Resource Estimates (PREs) for all solution files containing Logical Resource Estimates (LREs).  Outputs are solution.uuid.json files."
+        description="a script to calculate Physical Resource Estimates (PREs) for all solution files containing Logical Resource Estimates (LREs). Outputs are solution.uuid.json files."
     )
 
     parser.add_argument(

From 830b0b63bc27ed59165a37b009624383af210988 Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Tue, 10 Dec 2024 16:39:47 -0500
Subject: [PATCH 13/25] Undoing cruft

---
 README.md                          | 4 ++--
 scripts/LRE_config.json            | 2 +-
 scripts/compute_all_LREs_script.py | 9 ---------
 3 files changed, 3 insertions(+), 12 deletions(-)

diff --git a/README.md b/README.md
index 5c8b599..a12f26e 100644
--- a/README.md
+++ b/README.md
@@ -48,7 +48,7 @@ Then, several files are required:
 
 The paths to these files must be passed as arguments to the script, for example:
 ```bash
-python compute_all_QREs_script.py -i ../problem_instances -o ../solution_files --LRE_config_file LRE_config.json --sftp_username darpa-qb --sftp_key_file path_to_ppk_file
+python compute_all_LREs_script.py -i ../problem_instances -o ../solution_files --LRE_config_file LRE_config.json --sftp_username darpa-qb --sftp_key_file path_to_ppk_file
 ```
 
 ### Generating Physical Quantum Resource Estimates
@@ -61,7 +61,7 @@ It is also recommended to specify a solver UUID in the PRE config file that is d
 
 The PREs can be generated using a command such as:
 ```bash
-python compute_all_QREs_script.py -i LRE_solution_files -o ../solution_files -PLRE_config_file PRE_config.json
+python compute_all_LREs_script.py -i LRE_solution_files -o ../solution_files -PLRE_config_file PRE_config.json
 ```
 
 <!-- ### Viewing Results
diff --git a/scripts/LRE_config.json b/scripts/LRE_config.json
index af0190d..7da759d 100644
--- a/scripts/LRE_config.json
+++ b/scripts/LRE_config.json
@@ -3,7 +3,7 @@
   "algorithm_parameters": {
     "overlap": 0.8,
     "df_threshold": 1e-3,
-    "max_orbitals": 37
+    "max_orbitals": 32
   },
   "algorithm_description": "Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Note that the truncation error is not included in the error bounds and that the SCF compute time is not included in the preprocessing time. Also note that unlike arXiv:2406.06335, the ground-state overlaps are not computed from DMRG but instead set to a nominal value.",
   "contact_info": [
diff --git a/scripts/compute_all_LREs_script.py b/scripts/compute_all_LREs_script.py
index 1dae915..166d279 100755
--- a/scripts/compute_all_LREs_script.py
+++ b/scripts/compute_all_LREs_script.py
@@ -33,11 +33,6 @@
 from qb_gsee_benchmark.qre import get_df_qpe_circuit
 from qb_gsee_benchmark.utils import retrieve_fcidump_from_sftp
 
-
-class NoFactoriesFoundError(Exception):
-    pass
-
-
 logger = logging.getLogger()
 logger.setLevel(logging.INFO)
 console_handler = logging.StreamHandler()
@@ -206,10 +201,6 @@ def get_lqre(
             "algorithm_description": config["algorithm_description"],
             "algorithm_parameters": config["algorithm_parameters"],
         },
-        "quantum_hardware_details": {
-            "quantum_hardware_description": config["quantum_hardware_description"],
-            "quantum_hardware_parameters": config["quantum_hardware_parameters"],
-        },
         "software_details": [
             {"software_name": "pyLIQTR", "software_version": version("pyLIQTR")},
             {

From d778b91d3635b9671acd452049cbca7ed9efe0da Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Tue, 10 Dec 2024 16:40:26 -0500
Subject: [PATCH 14/25] Fixing typo in readme

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index a12f26e..fd2f437 100644
--- a/README.md
+++ b/README.md
@@ -61,7 +61,7 @@ It is also recommended to specify a solver UUID in the PRE config file that is d
 
 The PREs can be generated using a command such as:
 ```bash
-python compute_all_LREs_script.py -i LRE_solution_files -o ../solution_files -PLRE_config_file PRE_config.json
+python compute_all_PREs_script.py -i LRE_solution_files -o ../solution_files -PLRE_config_file PRE_config.json
 ```
 
 <!-- ### Viewing Results

From f6c4f6a8e85365645f3c832c93efed63c3b73041 Mon Sep 17 00:00:00 2001
From: "Penuel, John (US) - SAS" <John.Penuel@L3Harris.com>
Date: Wed, 11 Dec 2024 07:33:37 -0500
Subject: [PATCH 15/25] more results.  still not done.

---
 scripts/Hamiltonian_features.csv              |     6 +
 .../compute_all_ham_features_script.log.txt   | 57154 ++++++++++++++++
 scripts/compute_all_ham_features_script.py    |     2 +-
 ...s.2294b211-7a05-445e-810d-4c1706e1444c.bin |   Bin 0 -> 9960 bytes
 ...s.29d645f8-ce30-4e18-9f41-644ac5f9d922.bin |   Bin 0 -> 9752 bytes
 ...s.e84ef191-bfe0-4859-96b9-0613cad743d4.bin |   Bin 0 -> 10600 bytes
 scripts/nohup.out                             | 57154 ++++++++++++++++
 7 files changed, 114315 insertions(+), 1 deletion(-)
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.2294b211-7a05-445e-810d-4c1706e1444c.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.29d645f8-ce30-4e18-9f41-644ac5f9d922.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.e84ef191-bfe0-4859-96b9-0613cad743d4.bin
 create mode 100644 scripts/nohup.out

diff --git a/scripts/Hamiltonian_features.csv b/scripts/Hamiltonian_features.csv
index fa2385d..33ec9d7 100644
--- a/scripts/Hamiltonian_features.csv
+++ b/scripts/Hamiltonian_features.csv
@@ -24451,3 +24451,9 @@ max_vertex_degree,min_vertex_degree,mean_vertex_degree,std_dev_vertex_degree,one
  7.98215146e+00 2.69617043e+01]",f377cc27-366a-45af-b45a-c8478e4b6199,benzene,7148b36a-0571-4a41-9239-19a97339f68a,96ff0e22-a3ab-49f3-aee9-9a1886cbf850,FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850,sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz,2024-12-09 04:43:01.935056,1,12922.967098
 3647446,209596,2917133.7454545456,964820.5708388989,4654.171667336264,12.062771049790696,1.0008599497988744e-08,0.0006641661700353891,0.036051144484199854,110,1,45.79134278343859,21.807610406065415,7007542,10.66818337640431,6,110,1243,10.006228718616667,"[1.00977217e-08 1.00977217e-08 1.09885398e-08 ... 2.68945722e+00
  9.10213918e+00 1.91083679e+01]",3301a356-21a9-472b-8021-f02f4d2c9eec,li2_0,aaa24a30-ade6-44a6-b6aa-51bf54c31eef,6224abe8-831e-4b52-b8d9-8ebac0a35c2b,fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz,2024-12-09 07:14:05.546495,1,9027.198926
+7159092,376488,5698441.236363636,1864928.856748745,7768.980822660027,56.12926296132025,1.0001701075136077e-08,0.0005691396346159809,0.05930945205306858,110,1,45.920175643268934,21.767594687995103,13650396,18.661578768348896,12,110,1245,37.32481197758421,"[1.02717420e-08 1.02717420e-08 1.10992092e-08 ... 9.10464534e+00
+ 1.34583281e+01 5.07831401e+01]",e48e7467-1fcd-478b-a599-f4ce881c57b9,li_f_0,0485949f-722c-49ee-a748-eec54801f021,2294b211-7a05-445e-810d-4c1706e1444c,fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz,2024-12-09 15:28:45.172143,1,17815.055222
+3951878,214464,3149376.345454545,1047993.0148814009,13215.929822164011,56.246524373861696,1.0004980321163311e-08,0.0017390102118925355,0.10629293281171391,110,1,45.58496806117622,21.622880318084743,7599686,25.333659166989584,18,110,1219,19.525371957390092,"[1.02463913e-08 1.04283905e-08 1.04283905e-08 ... 1.05819161e+01
+ 3.91547198e+01 5.86800917e+01]",e3e78b41-577d-4536-a63f-7e968eeb6493,f2_0,fa8e83f2-cec5-4609-9b77-d713608a6b53,29d645f8-ce30-4e18-9f41-644ac5f9d922,fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz,2024-12-09 20:16:59.015110,1,17154.716681
+3651136,210658,2922864.1636363636,966857.1042118284,11993.683154086802,41.05845740741163,1.0152626955644824e-08,0.0017096842836585762,0.09330359090657832,110,1,45.8315627118185,21.77534610184194,7015146,21.005449366917944,14,110,1325,24.27344092255396,"[1.05383187e-08 1.05383187e-08 1.07892157e-08 ... 8.16719087e+00
+ 2.57350537e+01 5.00084946e+01]",9bd9cde6-6daa-441a-984e-ae1c1c051e91,n2_0,9eed79e4-b195-4474-b280-fe9166a7a241,e84ef191-bfe0-4859-96b9-0613cad743d4,fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz,2024-12-10 00:36:39.218633,1,15465.010171
diff --git a/scripts/compute_all_ham_features_script.log.txt b/scripts/compute_all_ham_features_script.log.txt
index 498e07e..cf415a6 100644
--- a/scripts/compute_all_ham_features_script.log.txt
+++ b/scripts/compute_all_ham_features_script.log.txt
@@ -104974,3 +104974,57157 @@ KeyError: 'num_orbitals'
 2024-12-09 07:22:27,293 - INFO - QuarticDirac(eri_4d, h1, norb)...
 2024-12-09 07:22:27,293 - INFO - done.
 2024-12-09 07:22:27,293 - INFO - majorana_operator_from_quartic(quartic_fermion)...
+2024-12-09 10:29:15,195 - INFO - ===============================================
+2024-12-09 10:29:15,198 - INFO - overall start time: 2024-12-09 10:29:15.195283
+2024-12-09 10:29:15,198 - INFO - input directory: ../problem_instances/
+2024-12-09 10:29:15,198 - INFO - Hamiltonian features file: Hamiltonian_features.csv
+2024-12-09 10:29:15,198 - INFO - creating back up file Hamiltonian_features.csv.backup-2024-12-09-10-29.csv.
+2024-12-09 10:29:15,229 - INFO - parsing 82 files in the input directory
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:15,245 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:15,246 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:15,246 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:15,246 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,246 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:15,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,253 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,253 - INFO - moving on ...
+2024-12-09 10:29:15,253 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:15,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,254 - INFO - number of orbitals:  118
+2024-12-09 10:29:15,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,254 - INFO - moving on ...
+2024-12-09 10:29:15,254 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:15,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,256 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,256 - INFO - moving on ...
+2024-12-09 10:29:15,256 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:15,257 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:15,257 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:15,257 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,257 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:15,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,258 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,258 - INFO - moving on ...
+2024-12-09 10:29:15,258 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:15,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,260 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,260 - INFO - moving on ...
+2024-12-09 10:29:15,260 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:15,261 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:15,261 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:15,261 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,261 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:15,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,262 - INFO - number of orbitals:  66
+2024-12-09 10:29:15,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,262 - INFO - moving on ...
+2024-12-09 10:29:15,262 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:15,264 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:15,264 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:15,264 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,264 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:15,264 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,264 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,264 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,271 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,271 - INFO - moving on ...
+2024-12-09 10:29:15,271 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:15,271 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,271 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,271 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,274 - INFO - number of orbitals:  22
+2024-12-09 10:29:15,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,274 - INFO - moving on ...
+2024-12-09 10:29:15,274 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:15,274 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,274 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,274 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,277 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,277 - INFO - moving on ...
+2024-12-09 10:29:15,277 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:15,277 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,277 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,277 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,279 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,279 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,279 - INFO - moving on ...
+2024-12-09 10:29:15,279 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:15,279 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,280 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,280 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,281 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,281 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,281 - INFO - moving on ...
+2024-12-09 10:29:15,281 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:15,282 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,282 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,282 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,283 - INFO - number of orbitals:  22
+2024-12-09 10:29:15,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,283 - INFO - moving on ...
+2024-12-09 10:29:15,283 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:15,283 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,283 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,284 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,285 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,285 - INFO - moving on ...
+2024-12-09 10:29:15,285 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:15,285 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,285 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,285 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,287 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,287 - INFO - moving on ...
+2024-12-09 10:29:15,287 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:15,287 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,287 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,287 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,289 - INFO - number of orbitals:  19
+2024-12-09 10:29:15,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,289 - INFO - moving on ...
+2024-12-09 10:29:15,289 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:15,289 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,289 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,289 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,291 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,291 - INFO - moving on ...
+2024-12-09 10:29:15,291 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:15,291 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,291 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,291 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,293 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,293 - INFO - moving on ...
+2024-12-09 10:29:15,293 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:15,293 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,293 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,293 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,295 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,295 - INFO - moving on ...
+2024-12-09 10:29:15,295 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:15,296 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:15,296 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:15,296 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,296 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:15,296 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,297 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,297 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,298 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,298 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,298 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,298 - INFO - moving on ...
+2024-12-09 10:29:15,298 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:15,298 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,299 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,299 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,300 - INFO - number of orbitals:  108
+2024-12-09 10:29:15,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,300 - INFO - moving on ...
+2024-12-09 10:29:15,300 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:15,301 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:15,301 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:15,301 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,301 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:15,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,303 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,303 - INFO - moving on ...
+2024-12-09 10:29:15,303 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:15,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,304 - INFO - number of orbitals:  135
+2024-12-09 10:29:15,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,304 - INFO - moving on ...
+2024-12-09 10:29:15,305 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:15,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,306 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,306 - INFO - moving on ...
+2024-12-09 10:29:15,306 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:15,307 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:15,307 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:15,307 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,307 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:15,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,309 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,309 - INFO - moving on ...
+2024-12-09 10:29:15,309 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:15,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,310 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,310 - INFO - moving on ...
+2024-12-09 10:29:15,310 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:15,312 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:15,312 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:15,312 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,312 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:15,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,313 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,313 - INFO - moving on ...
+2024-12-09 10:29:15,313 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:15,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,314 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,314 - INFO - moving on ...
+2024-12-09 10:29:15,314 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:15,315 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:15,315 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:15,316 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,316 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:15,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,317 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,317 - INFO - moving on ...
+2024-12-09 10:29:15,317 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:15,318 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:15,318 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:15,318 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,318 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:15,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,319 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,319 - INFO - moving on ...
+2024-12-09 10:29:15,319 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:15,320 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:15,320 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:15,321 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,321 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:15,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,322 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,322 - INFO - moving on ...
+2024-12-09 10:29:15,322 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:15,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,323 - INFO - number of orbitals:  118
+2024-12-09 10:29:15,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,323 - INFO - moving on ...
+2024-12-09 10:29:15,323 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:15,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,324 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,325 - INFO - moving on ...
+2024-12-09 10:29:15,325 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:15,327 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:15,327 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:15,327 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,327 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:15,327 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,327 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,327 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,328 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,329 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,329 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:15,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:15,329 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:15,350 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,350 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,350 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:15,350 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,351 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,351 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,353 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,353 - INFO - moving on ...
+2024-12-09 10:29:15,353 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:15,353 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,353 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,353 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,355 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,355 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,355 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:15,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:15,355 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:15,371 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,371 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,371 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:15,371 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,371 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,371 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,373 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,373 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,373 - INFO - moving on ...
+2024-12-09 10:29:15,373 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:15,373 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,373 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,373 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,375 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,375 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,375 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:15,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:15,375 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:15,391 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,391 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,391 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:15,391 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,391 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,391 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,393 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,393 - INFO - moving on ...
+2024-12-09 10:29:15,393 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:15,393 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,393 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,393 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,395 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,395 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,395 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:15,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:15,395 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:15,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,410 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,410 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:15,410 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,410 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,410 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,412 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,412 - INFO - moving on ...
+2024-12-09 10:29:15,412 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:15,414 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:15,414 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:15,414 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,414 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:15,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,415 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,415 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,415 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,415 - INFO - moving on ...
+2024-12-09 10:29:15,415 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:15,416 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:15,416 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:15,416 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,416 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:15,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,417 - INFO - number of orbitals:  33
+2024-12-09 10:29:15,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,418 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,418 - INFO - moving on ...
+2024-12-09 10:29:15,418 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:15,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,419 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,419 - INFO - moving on ...
+2024-12-09 10:29:15,419 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:15,420 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:15,420 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:15,420 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,420 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:15,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,421 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,421 - INFO - moving on ...
+2024-12-09 10:29:15,421 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:15,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,423 - INFO - number of orbitals:  119
+2024-12-09 10:29:15,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,423 - INFO - moving on ...
+2024-12-09 10:29:15,423 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:15,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,424 - INFO - number of orbitals:  62
+2024-12-09 10:29:15,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,424 - INFO - moving on ...
+2024-12-09 10:29:15,424 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:15,425 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:15,425 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:15,425 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,425 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:15,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,426 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,426 - INFO - moving on ...
+2024-12-09 10:29:15,427 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:15,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,428 - INFO - number of orbitals:  135
+2024-12-09 10:29:15,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,428 - INFO - moving on ...
+2024-12-09 10:29:15,428 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:15,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,429 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,429 - INFO - moving on ...
+2024-12-09 10:29:15,429 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:15,430 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:15,430 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:15,430 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,430 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:15,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,431 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,432 - INFO - moving on ...
+2024-12-09 10:29:15,432 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:15,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,433 - INFO - number of orbitals:  118
+2024-12-09 10:29:15,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,433 - INFO - moving on ...
+2024-12-09 10:29:15,433 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:15,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,434 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,434 - INFO - moving on ...
+2024-12-09 10:29:15,434 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:15,436 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:15,436 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:15,436 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,436 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:15,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,437 - INFO - number of orbitals:  38
+2024-12-09 10:29:15,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,437 - INFO - moving on ...
+2024-12-09 10:29:15,437 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:15,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,438 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,438 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,438 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,438 - INFO - moving on ...
+2024-12-09 10:29:15,438 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:15,440 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:15,440 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:15,440 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,440 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:15,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,441 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,441 - INFO - moving on ...
+2024-12-09 10:29:15,441 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:15,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,442 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,442 - INFO - moving on ...
+2024-12-09 10:29:15,442 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:15,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,443 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,444 - INFO - moving on ...
+2024-12-09 10:29:15,444 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:15,445 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:15,445 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:15,445 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,445 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:15,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,446 - INFO - number of orbitals:  38
+2024-12-09 10:29:15,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,446 - INFO - moving on ...
+2024-12-09 10:29:15,446 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:15,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,447 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,447 - INFO - moving on ...
+2024-12-09 10:29:15,447 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:15,449 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:15,449 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:15,449 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,449 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:15,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,450 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,450 - INFO - moving on ...
+2024-12-09 10:29:15,450 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:15,452 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:15,452 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:15,452 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,452 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:15,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,453 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,453 - INFO - moving on ...
+2024-12-09 10:29:15,453 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:15,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,454 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,454 - INFO - moving on ...
+2024-12-09 10:29:15,454 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:15,455 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:15,455 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:15,455 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,455 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:15,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,457 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,457 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,457 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:15,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:15,457 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:15,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,473 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,473 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:15,475 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:15,475 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:15,475 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,475 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:15,475 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,475 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,475 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,477 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,477 - INFO - moving on ...
+2024-12-09 10:29:15,477 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:15,477 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,478 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,478 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,480 - INFO - number of orbitals:  46
+2024-12-09 10:29:15,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,480 - INFO - moving on ...
+2024-12-09 10:29:15,480 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:15,480 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,480 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,480 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,482 - INFO - number of orbitals:  46
+2024-12-09 10:29:15,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,482 - INFO - moving on ...
+2024-12-09 10:29:15,482 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:15,482 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,482 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,482 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,484 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,484 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,484 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,484 - INFO - moving on ...
+2024-12-09 10:29:15,484 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:15,486 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:15,486 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:15,486 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,486 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:15,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,488 - INFO - number of orbitals:  19
+2024-12-09 10:29:15,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,488 - INFO - moving on ...
+2024-12-09 10:29:15,488 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:15,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,489 - INFO - number of orbitals:  85
+2024-12-09 10:29:15,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,489 - INFO - moving on ...
+2024-12-09 10:29:15,489 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:15,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,491 - INFO - number of orbitals:  44
+2024-12-09 10:29:15,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,491 - INFO - moving on ...
+2024-12-09 10:29:15,491 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:15,492 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:15,492 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:15,492 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,492 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:15,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,494 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,494 - INFO - moving on ...
+2024-12-09 10:29:15,494 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:15,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,495 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,495 - INFO - moving on ...
+2024-12-09 10:29:15,495 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:15,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,496 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,497 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,497 - INFO - moving on ...
+2024-12-09 10:29:15,497 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:15,498 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:15,498 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:15,498 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,498 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:15,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,499 - INFO - number of orbitals:  19
+2024-12-09 10:29:15,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,499 - INFO - moving on ...
+2024-12-09 10:29:15,499 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:15,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,501 - INFO - number of orbitals:  85
+2024-12-09 10:29:15,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,501 - INFO - moving on ...
+2024-12-09 10:29:15,501 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:15,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,502 - INFO - number of orbitals:  44
+2024-12-09 10:29:15,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,502 - INFO - moving on ...
+2024-12-09 10:29:15,502 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:15,503 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:15,503 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:15,503 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,503 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:15,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,505 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,505 - INFO - moving on ...
+2024-12-09 10:29:15,505 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:15,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,506 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,507 - INFO - moving on ...
+2024-12-09 10:29:15,507 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:15,508 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:15,508 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:15,508 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,508 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:15,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,509 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,509 - INFO - moving on ...
+2024-12-09 10:29:15,509 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:15,511 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:15,511 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:15,511 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,511 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:15,511 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,511 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,511 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,513 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,513 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,513 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:15,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:15,513 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:15,528 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,528 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,528 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:15,528 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,528 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,529 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,530 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,530 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,530 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:15,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:15,531 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:15,544 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,545 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,545 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:15,545 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,545 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,545 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,547 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,547 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,547 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:15,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:15,547 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:15,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,563 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,563 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:15,563 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,563 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,563 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,565 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,565 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:15,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:15,565 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:15,581 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,582 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,582 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:15,582 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,582 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,582 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,584 - INFO - number of orbitals:  33
+2024-12-09 10:29:15,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,584 - INFO - moving on ...
+2024-12-09 10:29:15,584 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:15,584 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,584 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,584 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,586 - INFO - number of orbitals:  23
+2024-12-09 10:29:15,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,586 - INFO - moving on ...
+2024-12-09 10:29:15,586 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:15,586 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,586 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,586 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,588 - INFO - number of orbitals:  45
+2024-12-09 10:29:15,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,588 - INFO - moving on ...
+2024-12-09 10:29:15,588 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:15,588 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,588 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,588 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,590 - INFO - number of orbitals:  21
+2024-12-09 10:29:15,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,590 - INFO - moving on ...
+2024-12-09 10:29:15,590 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:15,590 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,590 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,590 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,592 - INFO - number of orbitals:  42
+2024-12-09 10:29:15,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,592 - INFO - moving on ...
+2024-12-09 10:29:15,592 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:15,593 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:15,593 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:15,593 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,594 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:15,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,595 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,595 - INFO - moving on ...
+2024-12-09 10:29:15,595 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:15,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,596 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,597 - INFO - moving on ...
+2024-12-09 10:29:15,597 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:15,598 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:15,598 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:15,598 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,598 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:15,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,599 - INFO - number of orbitals:  29
+2024-12-09 10:29:15,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,599 - INFO - moving on ...
+2024-12-09 10:29:15,599 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:15,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,600 - INFO - number of orbitals:  72
+2024-12-09 10:29:15,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,600 - INFO - moving on ...
+2024-12-09 10:29:15,600 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:15,601 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:15,601 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:15,601 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,602 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:15,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,603 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,603 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,603 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:15,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:15,603 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:15,620 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,621 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,621 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:15,622 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:15,622 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:15,622 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,622 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:15,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,623 - INFO - number of orbitals:  48
+2024-12-09 10:29:15,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,624 - INFO - moving on ...
+2024-12-09 10:29:15,624 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:15,624 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:15,624 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:15,624 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,624 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:15,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,626 - INFO - number of orbitals:  48
+2024-12-09 10:29:15,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,626 - INFO - moving on ...
+2024-12-09 10:29:15,626 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:15,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,627 - INFO - number of orbitals:  116
+2024-12-09 10:29:15,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,627 - INFO - moving on ...
+2024-12-09 10:29:15,627 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:15,628 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:15,628 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:15,628 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,628 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:15,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,630 - INFO - number of orbitals:  22
+2024-12-09 10:29:15,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,630 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,630 - INFO - moving on ...
+2024-12-09 10:29:15,630 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:15,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,631 - INFO - number of orbitals:  79
+2024-12-09 10:29:15,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,631 - INFO - moving on ...
+2024-12-09 10:29:15,631 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:15,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,633 - INFO - number of orbitals:  45
+2024-12-09 10:29:15,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,633 - INFO - moving on ...
+2024-12-09 10:29:15,633 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:15,634 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:15,634 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:15,634 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,634 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:15,634 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,634 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,634 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,636 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,636 - INFO - moving on ...
+2024-12-09 10:29:15,636 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:15,636 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,636 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,636 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,638 - INFO - number of orbitals:  26
+2024-12-09 10:29:15,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,638 - INFO - moving on ...
+2024-12-09 10:29:15,638 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:15,638 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,638 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,638 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,640 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,640 - INFO - moving on ...
+2024-12-09 10:29:15,640 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:15,640 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,640 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,640 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,641 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,642 - INFO - moving on ...
+2024-12-09 10:29:15,642 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:15,642 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,642 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,642 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,643 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,644 - INFO - moving on ...
+2024-12-09 10:29:15,644 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:15,644 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,644 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,644 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,645 - INFO - number of orbitals:  26
+2024-12-09 10:29:15,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,645 - INFO - moving on ...
+2024-12-09 10:29:15,646 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:15,646 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,646 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,646 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,647 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,647 - INFO - moving on ...
+2024-12-09 10:29:15,647 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:15,647 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,647 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,649 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,649 - INFO - moving on ...
+2024-12-09 10:29:15,649 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:15,649 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,649 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,649 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,651 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,651 - INFO - moving on ...
+2024-12-09 10:29:15,651 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:15,651 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,651 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,651 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,653 - INFO - number of orbitals:  26
+2024-12-09 10:29:15,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,653 - INFO - moving on ...
+2024-12-09 10:29:15,653 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:15,653 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,653 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,653 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,655 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,655 - INFO - moving on ...
+2024-12-09 10:29:15,655 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:15,655 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,655 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,655 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,657 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,657 - INFO - moving on ...
+2024-12-09 10:29:15,657 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:15,658 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:15,658 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:15,658 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,658 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:15,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,659 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,659 - INFO - number of supporting files: 2
+2024-12-09 10:29:15,659 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:15,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:15,659 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:15,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,676 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,676 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:15,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:15,676 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:15,676 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:15,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,677 - INFO - number of orbitals:  55
+2024-12-09 10:29:15,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,677 - INFO - moving on ...
+2024-12-09 10:29:15,677 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:15,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,679 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,679 - INFO - moving on ...
+2024-12-09 10:29:15,679 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:15,680 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:15,680 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:15,681 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,681 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:15,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,682 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,682 - INFO - moving on ...
+2024-12-09 10:29:15,682 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:15,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,683 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,683 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,683 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,683 - INFO - moving on ...
+2024-12-09 10:29:15,683 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:15,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,685 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,685 - INFO - moving on ...
+2024-12-09 10:29:15,685 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:15,686 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:15,686 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:15,686 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,686 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:15,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,687 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,687 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,687 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,687 - INFO - moving on ...
+2024-12-09 10:29:15,687 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:15,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,689 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,689 - INFO - moving on ...
+2024-12-09 10:29:15,689 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:15,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,690 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,690 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,690 - INFO - moving on ...
+2024-12-09 10:29:15,690 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:15,692 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:15,692 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:15,692 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,692 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:15,692 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,692 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,692 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,693 - INFO - number of orbitals:  45
+2024-12-09 10:29:15,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,694 - INFO - moving on ...
+2024-12-09 10:29:15,694 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:15,694 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,694 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,694 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,696 - INFO - number of orbitals:  53
+2024-12-09 10:29:15,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,696 - INFO - moving on ...
+2024-12-09 10:29:15,696 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:15,696 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,696 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,696 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,698 - INFO - number of orbitals:  58
+2024-12-09 10:29:15,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,698 - INFO - moving on ...
+2024-12-09 10:29:15,698 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:15,698 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,698 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,698 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,699 - INFO - number of orbitals:  44
+2024-12-09 10:29:15,700 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,700 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,700 - INFO - moving on ...
+2024-12-09 10:29:15,700 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:15,700 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,700 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,700 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,701 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,701 - INFO - moving on ...
+2024-12-09 10:29:15,702 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:15,702 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,703 - INFO - number of orbitals:  55
+2024-12-09 10:29:15,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,703 - INFO - moving on ...
+2024-12-09 10:29:15,703 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:15,704 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,704 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,704 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,705 - INFO - number of orbitals:  44
+2024-12-09 10:29:15,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,705 - INFO - moving on ...
+2024-12-09 10:29:15,705 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:15,706 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,706 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,706 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,707 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,707 - INFO - moving on ...
+2024-12-09 10:29:15,707 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:15,707 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,708 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,708 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,709 - INFO - number of orbitals:  55
+2024-12-09 10:29:15,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,709 - INFO - moving on ...
+2024-12-09 10:29:15,710 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:15,711 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:15,711 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:15,711 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,711 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:15,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,713 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,713 - INFO - moving on ...
+2024-12-09 10:29:15,713 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:15,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,715 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,715 - INFO - moving on ...
+2024-12-09 10:29:15,715 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:15,716 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:15,716 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:15,716 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,716 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:15,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,718 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,718 - INFO - moving on ...
+2024-12-09 10:29:15,718 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:15,718 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:15,719 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:15,719 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,719 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:15,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,720 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,720 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,720 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,720 - INFO - moving on ...
+2024-12-09 10:29:15,720 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:15,721 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:15,721 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:15,721 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,721 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:15,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,722 - INFO - number of orbitals:  33
+2024-12-09 10:29:15,722 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,722 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,722 - INFO - moving on ...
+2024-12-09 10:29:15,722 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:15,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,724 - INFO - number of orbitals:  74
+2024-12-09 10:29:15,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,724 - INFO - moving on ...
+2024-12-09 10:29:15,724 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:15,725 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:15,725 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:15,725 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,725 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:15,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,726 - INFO - number of orbitals:  38
+2024-12-09 10:29:15,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,726 - INFO - moving on ...
+2024-12-09 10:29:15,726 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:15,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,727 - INFO - number of orbitals:  90
+2024-12-09 10:29:15,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,727 - INFO - moving on ...
+2024-12-09 10:29:15,727 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:15,728 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:15,728 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:15,728 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,728 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:15,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,730 - INFO - number of orbitals:  69
+2024-12-09 10:29:15,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,730 - INFO - moving on ...
+2024-12-09 10:29:15,730 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:15,731 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:15,731 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:15,731 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,731 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:15,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,732 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,732 - INFO - moving on ...
+2024-12-09 10:29:15,732 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:15,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,733 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,734 - INFO - moving on ...
+2024-12-09 10:29:15,734 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:15,734 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:15,735 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:15,735 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,735 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:15,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,736 - INFO - number of orbitals:  47
+2024-12-09 10:29:15,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,736 - INFO - moving on ...
+2024-12-09 10:29:15,736 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:15,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,737 - INFO - number of orbitals:  106
+2024-12-09 10:29:15,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,737 - INFO - moving on ...
+2024-12-09 10:29:15,738 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:15,738 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:15,738 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:15,738 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,738 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:15,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,740 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,740 - INFO - moving on ...
+2024-12-09 10:29:15,740 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:15,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,741 - INFO - number of orbitals:  118
+2024-12-09 10:29:15,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,741 - INFO - moving on ...
+2024-12-09 10:29:15,741 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:15,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,742 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,743 - INFO - moving on ...
+2024-12-09 10:29:15,743 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:15,745 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:15,745 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:15,745 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,745 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:15,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,746 - INFO - number of orbitals:  32
+2024-12-09 10:29:15,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,746 - INFO - moving on ...
+2024-12-09 10:29:15,746 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:15,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,748 - INFO - number of orbitals:  114
+2024-12-09 10:29:15,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,748 - INFO - moving on ...
+2024-12-09 10:29:15,748 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:15,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,749 - INFO - number of orbitals:  64
+2024-12-09 10:29:15,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,749 - INFO - moving on ...
+2024-12-09 10:29:15,749 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:15,750 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:15,750 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:15,750 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,750 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:15,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,751 - INFO - number of orbitals:  24
+2024-12-09 10:29:15,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,751 - INFO - moving on ...
+2024-12-09 10:29:15,751 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:15,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,753 - INFO - number of orbitals:  115
+2024-12-09 10:29:15,753 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,753 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,753 - INFO - moving on ...
+2024-12-09 10:29:15,753 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:15,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,754 - INFO - number of orbitals:  58
+2024-12-09 10:29:15,754 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,754 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,754 - INFO - moving on ...
+2024-12-09 10:29:15,754 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:15,756 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:15,756 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:15,756 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,756 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:15,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,757 - INFO - number of orbitals:  37
+2024-12-09 10:29:15,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,757 - INFO - moving on ...
+2024-12-09 10:29:15,757 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:15,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,758 - INFO - number of orbitals:  78
+2024-12-09 10:29:15,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,759 - INFO - moving on ...
+2024-12-09 10:29:15,759 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:15,760 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:15,760 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:15,760 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,760 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:15,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,761 - INFO - number of orbitals:  58
+2024-12-09 10:29:15,761 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,761 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,761 - INFO - moving on ...
+2024-12-09 10:29:15,761 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:15,762 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:15,762 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:15,762 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,762 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:15,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,763 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,763 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,763 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:15,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:15,763 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:15,780 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,780 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,780 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:15,781 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:15,782 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:15,782 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,782 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:15,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,783 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,783 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,783 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,783 - INFO - moving on ...
+2024-12-09 10:29:15,783 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:15,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,785 - INFO - number of orbitals:  86
+2024-12-09 10:29:15,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,785 - INFO - moving on ...
+2024-12-09 10:29:15,785 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:15,786 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:15,786 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:15,786 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,786 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:15,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,788 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,788 - INFO - moving on ...
+2024-12-09 10:29:15,788 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:15,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,789 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,790 - INFO - moving on ...
+2024-12-09 10:29:15,790 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:15,790 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:15,790 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:15,791 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,791 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:15,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,792 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,792 - INFO - moving on ...
+2024-12-09 10:29:15,792 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:15,793 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:15,793 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:15,793 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,793 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:15,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,794 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,795 - INFO - moving on ...
+2024-12-09 10:29:15,795 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:15,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,796 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,796 - INFO - moving on ...
+2024-12-09 10:29:15,796 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:15,797 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:15,797 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:15,797 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,797 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:15,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,798 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,798 - INFO - moving on ...
+2024-12-09 10:29:15,798 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:15,799 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:15,799 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:15,799 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,799 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:15,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,801 - INFO - number of orbitals:  69
+2024-12-09 10:29:15,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,801 - INFO - moving on ...
+2024-12-09 10:29:15,801 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:15,802 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:15,802 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:15,802 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,802 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:15,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,803 - INFO - number of orbitals:  48
+2024-12-09 10:29:15,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,804 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,804 - INFO - moving on ...
+2024-12-09 10:29:15,804 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:15,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,805 - INFO - number of orbitals:  116
+2024-12-09 10:29:15,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,805 - INFO - moving on ...
+2024-12-09 10:29:15,805 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:15,806 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:15,806 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:15,806 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,806 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:15,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,807 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,807 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,807 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,807 - INFO - moving on ...
+2024-12-09 10:29:15,807 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:15,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,809 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,809 - INFO - moving on ...
+2024-12-09 10:29:15,809 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:15,810 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:15,810 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:15,810 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,810 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:15,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,811 - INFO - number of orbitals:  38
+2024-12-09 10:29:15,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,811 - INFO - moving on ...
+2024-12-09 10:29:15,811 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:15,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,812 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,812 - INFO - moving on ...
+2024-12-09 10:29:15,812 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:15,813 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:15,814 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:15,814 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,814 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:15,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,815 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,815 - INFO - moving on ...
+2024-12-09 10:29:15,815 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:15,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,816 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,816 - INFO - moving on ...
+2024-12-09 10:29:15,816 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:15,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,818 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,818 - INFO - moving on ...
+2024-12-09 10:29:15,818 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:15,819 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:15,819 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:15,819 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,819 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:15,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,820 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,820 - INFO - moving on ...
+2024-12-09 10:29:15,820 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:15,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,822 - INFO - number of orbitals:  135
+2024-12-09 10:29:15,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,822 - INFO - moving on ...
+2024-12-09 10:29:15,822 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:15,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,823 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,823 - INFO - moving on ...
+2024-12-09 10:29:15,823 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:15,824 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:15,824 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:15,824 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,824 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:15,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,826 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,826 - INFO - moving on ...
+2024-12-09 10:29:15,826 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:15,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,827 - INFO - number of orbitals:  119
+2024-12-09 10:29:15,827 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,827 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,827 - INFO - moving on ...
+2024-12-09 10:29:15,827 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:15,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,829 - INFO - number of orbitals:  62
+2024-12-09 10:29:15,829 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,829 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,829 - INFO - moving on ...
+2024-12-09 10:29:15,829 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:15,830 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:15,830 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:15,830 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,830 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:15,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,832 - INFO - number of orbitals:  32
+2024-12-09 10:29:15,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,832 - INFO - moving on ...
+2024-12-09 10:29:15,832 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:15,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,833 - INFO - number of orbitals:  64
+2024-12-09 10:29:15,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,833 - INFO - moving on ...
+2024-12-09 10:29:15,833 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:15,834 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:15,834 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:15,834 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,835 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:15,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,836 - INFO - number of orbitals:  52
+2024-12-09 10:29:15,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,836 - INFO - moving on ...
+2024-12-09 10:29:15,836 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:15,837 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:15,837 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:15,837 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,837 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:15,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,839 - INFO - number of orbitals:  23
+2024-12-09 10:29:15,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,839 - INFO - moving on ...
+2024-12-09 10:29:15,839 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:15,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,840 - INFO - number of orbitals:  89
+2024-12-09 10:29:15,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,840 - INFO - moving on ...
+2024-12-09 10:29:15,840 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:15,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,842 - INFO - number of orbitals:  48
+2024-12-09 10:29:15,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,842 - INFO - moving on ...
+2024-12-09 10:29:15,842 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:15,843 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:15,843 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:15,843 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,843 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:15,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,844 - INFO - number of orbitals:  46
+2024-12-09 10:29:15,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,845 - INFO - moving on ...
+2024-12-09 10:29:15,845 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:15,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,846 - INFO - number of orbitals:  94
+2024-12-09 10:29:15,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,846 - INFO - moving on ...
+2024-12-09 10:29:15,846 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:15,847 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:15,847 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:15,847 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,847 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:15,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,848 - INFO - number of orbitals:  70
+2024-12-09 10:29:15,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,848 - INFO - moving on ...
+2024-12-09 10:29:15,848 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:15,849 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:15,849 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:15,849 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,850 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:15,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,851 - INFO - number of orbitals:  22
+2024-12-09 10:29:15,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,851 - INFO - moving on ...
+2024-12-09 10:29:15,851 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:15,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,852 - INFO - number of orbitals:  79
+2024-12-09 10:29:15,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,852 - INFO - moving on ...
+2024-12-09 10:29:15,852 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:15,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,853 - INFO - number of orbitals:  45
+2024-12-09 10:29:15,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,853 - INFO - moving on ...
+2024-12-09 10:29:15,853 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:15,855 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:15,855 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:15,855 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,855 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:15,855 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,855 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,855 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,857 - INFO - number of orbitals:  42
+2024-12-09 10:29:15,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,857 - INFO - moving on ...
+2024-12-09 10:29:15,857 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:15,857 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,857 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,857 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,859 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,859 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,859 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:15,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:15,859 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:15,875 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,875 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,875 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:15,875 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,875 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,875 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,877 - INFO - number of orbitals:  90
+2024-12-09 10:29:15,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,877 - INFO - moving on ...
+2024-12-09 10:29:15,877 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:15,877 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,877 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,877 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,879 - INFO - number of orbitals:  42
+2024-12-09 10:29:15,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,879 - INFO - moving on ...
+2024-12-09 10:29:15,879 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:15,879 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,879 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,879 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,881 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,881 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,881 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:15,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:15,881 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:15,896 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,897 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,897 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:15,897 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,897 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,897 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,899 - INFO - number of orbitals:  90
+2024-12-09 10:29:15,899 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,899 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,899 - INFO - moving on ...
+2024-12-09 10:29:15,899 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:15,900 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:15,901 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:15,901 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,901 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:15,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,902 - INFO - number of orbitals:  24
+2024-12-09 10:29:15,902 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,902 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,902 - INFO - moving on ...
+2024-12-09 10:29:15,902 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:15,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,903 - INFO - number of orbitals:  115
+2024-12-09 10:29:15,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,903 - INFO - moving on ...
+2024-12-09 10:29:15,903 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:15,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,905 - INFO - number of orbitals:  58
+2024-12-09 10:29:15,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,905 - INFO - moving on ...
+2024-12-09 10:29:15,905 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:15,906 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:15,906 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:15,906 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,906 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:15,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,907 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,907 - INFO - moving on ...
+2024-12-09 10:29:15,907 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:15,908 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:15,908 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:15,908 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,908 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:15,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,909 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,909 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,909 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:15,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:15,909 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:15,925 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,926 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,926 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:15,927 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:15,927 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:15,927 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,927 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:15,927 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,927 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,927 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,930 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,930 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:15,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:15,930 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:15,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,947 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,948 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:15,948 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,948 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,948 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,950 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,950 - INFO - moving on ...
+2024-12-09 10:29:15,950 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:15,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,950 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,950 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,952 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,952 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:15,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:15,952 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:15,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,969 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,969 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:15,969 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,969 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,969 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,971 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,971 - INFO - moving on ...
+2024-12-09 10:29:15,971 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:15,972 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,972 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,972 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,973 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,974 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,974 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:15,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:15,974 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:15,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,992 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,992 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:15,992 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,992 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,992 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,994 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,994 - INFO - moving on ...
+2024-12-09 10:29:15,995 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:15,997 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:15,997 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:15,997 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,997 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:15,997 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,997 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,997 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,999 - INFO - number of orbitals:  69
+2024-12-09 10:29:15,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,999 - INFO - moving on ...
+2024-12-09 10:29:15,999 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:15,999 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,999 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,999 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,001 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,001 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,001 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,002 - INFO - moving on ...
+2024-12-09 10:29:16,002 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:16,002 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,002 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,002 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,003 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,003 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,004 - INFO - moving on ...
+2024-12-09 10:29:16,004 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:16,005 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:16,005 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:16,005 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,005 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:16,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,006 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,006 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,006 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,006 - INFO - moving on ...
+2024-12-09 10:29:16,006 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:16,008 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:16,008 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:16,008 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,008 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:16,008 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,008 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,008 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,010 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,010 - INFO - moving on ...
+2024-12-09 10:29:16,010 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:16,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,012 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,012 - INFO - moving on ...
+2024-12-09 10:29:16,012 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:16,012 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,012 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,012 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,014 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,014 - INFO - moving on ...
+2024-12-09 10:29:16,014 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:16,014 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,014 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,014 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,016 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,016 - INFO - moving on ...
+2024-12-09 10:29:16,016 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:16,016 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,016 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,016 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,018 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,018 - INFO - moving on ...
+2024-12-09 10:29:16,018 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:16,018 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,018 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,018 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,020 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,020 - INFO - moving on ...
+2024-12-09 10:29:16,020 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:16,020 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,020 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,020 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,022 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,022 - INFO - moving on ...
+2024-12-09 10:29:16,022 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:16,022 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,022 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,022 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,024 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,024 - INFO - moving on ...
+2024-12-09 10:29:16,024 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:16,024 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,024 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,024 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,025 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,026 - INFO - moving on ...
+2024-12-09 10:29:16,026 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:16,026 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,026 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,026 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,027 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,027 - INFO - moving on ...
+2024-12-09 10:29:16,027 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:16,027 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,028 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,028 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,029 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,029 - INFO - moving on ...
+2024-12-09 10:29:16,029 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:16,029 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,029 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,029 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,031 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,031 - INFO - moving on ...
+2024-12-09 10:29:16,031 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:16,031 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,031 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,031 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,033 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,033 - INFO - moving on ...
+2024-12-09 10:29:16,033 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:16,033 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,033 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,033 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,035 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,035 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,035 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,035 - INFO - moving on ...
+2024-12-09 10:29:16,035 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:16,035 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,035 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,035 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,036 - INFO - number of orbitals:  25
+2024-12-09 10:29:16,036 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,036 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,036 - INFO - moving on ...
+2024-12-09 10:29:16,037 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:16,037 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,037 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,037 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,038 - INFO - number of orbitals:  39
+2024-12-09 10:29:16,038 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,038 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,038 - INFO - moving on ...
+2024-12-09 10:29:16,038 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:16,040 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:16,040 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:16,040 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,040 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:16,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,041 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,041 - INFO - moving on ...
+2024-12-09 10:29:16,041 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:16,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,043 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,043 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,043 - INFO - moving on ...
+2024-12-09 10:29:16,043 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:16,043 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:16,043 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:16,043 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,043 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:16,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,044 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,044 - INFO - moving on ...
+2024-12-09 10:29:16,044 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:16,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,045 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,046 - INFO - moving on ...
+2024-12-09 10:29:16,046 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:16,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,047 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,047 - INFO - moving on ...
+2024-12-09 10:29:16,047 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:16,047 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:16,047 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:16,047 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,047 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:16,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,048 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,048 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,048 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,048 - INFO - moving on ...
+2024-12-09 10:29:16,048 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:16,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,050 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,050 - INFO - moving on ...
+2024-12-09 10:29:16,050 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:16,050 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:16,050 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:16,050 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,050 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:16,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,051 - INFO - number of orbitals:  66
+2024-12-09 10:29:16,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,051 - INFO - moving on ...
+2024-12-09 10:29:16,051 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:16,052 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:16,052 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:16,052 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,052 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:16,052 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,052 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,052 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,053 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,054 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:16,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:16,054 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:16,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,070 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,070 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:16,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,072 - INFO - number of orbitals:  22
+2024-12-09 10:29:16,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,072 - INFO - moving on ...
+2024-12-09 10:29:16,072 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:16,072 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,072 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,072 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,074 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,074 - INFO - moving on ...
+2024-12-09 10:29:16,074 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:16,074 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,074 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,074 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,076 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,076 - INFO - moving on ...
+2024-12-09 10:29:16,076 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:16,076 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,076 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,076 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,078 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,078 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,078 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:16,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:16,078 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:16,093 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,094 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,094 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:16,094 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,094 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,094 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,095 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,096 - INFO - number of orbitals:  22
+2024-12-09 10:29:16,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,096 - INFO - moving on ...
+2024-12-09 10:29:16,096 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:16,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,098 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,098 - INFO - moving on ...
+2024-12-09 10:29:16,098 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:16,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,098 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,098 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,100 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,100 - INFO - moving on ...
+2024-12-09 10:29:16,100 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:16,100 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,100 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,100 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,101 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,101 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:16,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:16,102 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:16,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,117 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,118 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:16,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,119 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,120 - INFO - moving on ...
+2024-12-09 10:29:16,120 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:16,120 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,120 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,120 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,121 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,121 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,121 - INFO - moving on ...
+2024-12-09 10:29:16,122 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:16,122 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,122 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,122 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,123 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,123 - INFO - moving on ...
+2024-12-09 10:29:16,123 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:16,123 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:16,124 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:16,124 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,124 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:16,124 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,124 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,124 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,125 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,125 - INFO - moving on ...
+2024-12-09 10:29:16,125 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:16,125 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,126 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,126 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,127 - INFO - number of orbitals:  108
+2024-12-09 10:29:16,127 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,127 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,127 - INFO - moving on ...
+2024-12-09 10:29:16,127 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:16,127 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:16,127 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:16,127 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,128 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:16,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,129 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,129 - INFO - moving on ...
+2024-12-09 10:29:16,129 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:16,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,130 - INFO - number of orbitals:  135
+2024-12-09 10:29:16,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,130 - INFO - moving on ...
+2024-12-09 10:29:16,130 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:16,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,131 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,131 - INFO - moving on ...
+2024-12-09 10:29:16,131 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:16,131 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:16,131 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:16,132 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,132 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:16,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,133 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,133 - INFO - moving on ...
+2024-12-09 10:29:16,133 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:16,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,134 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,134 - INFO - moving on ...
+2024-12-09 10:29:16,134 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:16,134 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:16,134 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:16,134 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,134 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:16,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,136 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,136 - INFO - moving on ...
+2024-12-09 10:29:16,136 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:16,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,137 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,137 - INFO - moving on ...
+2024-12-09 10:29:16,137 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:16,137 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:16,137 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:16,137 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,137 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:16,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,138 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,139 - INFO - moving on ...
+2024-12-09 10:29:16,139 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:16,139 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:16,139 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:16,139 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,139 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:16,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,140 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,140 - INFO - moving on ...
+2024-12-09 10:29:16,140 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:16,140 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:16,140 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:16,140 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,140 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:16,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,142 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,142 - INFO - moving on ...
+2024-12-09 10:29:16,142 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:16,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,143 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,143 - INFO - moving on ...
+2024-12-09 10:29:16,143 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:16,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,144 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,144 - INFO - moving on ...
+2024-12-09 10:29:16,144 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:16,145 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:16,145 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:16,145 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,145 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:16,145 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,145 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,145 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,147 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,147 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,147 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:16,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:16,147 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:16,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,163 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,163 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:16,163 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,163 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,163 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,165 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,165 - INFO - moving on ...
+2024-12-09 10:29:16,165 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:16,165 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,166 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,166 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,168 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,168 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:16,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:16,168 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:16,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,185 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,185 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:16,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,187 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,188 - INFO - moving on ...
+2024-12-09 10:29:16,188 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:16,188 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,190 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,190 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:16,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:16,190 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:16,206 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,206 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,206 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:16,206 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,206 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,206 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,208 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,208 - INFO - moving on ...
+2024-12-09 10:29:16,208 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:16,208 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,209 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,209 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,210 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,210 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,210 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:16,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:16,211 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:16,226 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,227 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,227 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:16,227 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,227 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,227 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,229 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,229 - INFO - moving on ...
+2024-12-09 10:29:16,229 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:16,229 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:16,230 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:16,230 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,230 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:16,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,231 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,231 - INFO - moving on ...
+2024-12-09 10:29:16,231 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:16,231 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:16,231 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:16,231 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,231 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:16,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,233 - INFO - number of orbitals:  33
+2024-12-09 10:29:16,233 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,233 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,233 - INFO - moving on ...
+2024-12-09 10:29:16,233 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:16,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,234 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,234 - INFO - moving on ...
+2024-12-09 10:29:16,234 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:16,234 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:16,234 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:16,234 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,234 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:16,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,235 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,236 - INFO - moving on ...
+2024-12-09 10:29:16,236 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:16,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,237 - INFO - number of orbitals:  119
+2024-12-09 10:29:16,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,237 - INFO - moving on ...
+2024-12-09 10:29:16,237 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:16,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,238 - INFO - number of orbitals:  62
+2024-12-09 10:29:16,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,238 - INFO - moving on ...
+2024-12-09 10:29:16,238 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:16,238 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:16,238 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:16,238 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,238 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:16,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,240 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,240 - INFO - moving on ...
+2024-12-09 10:29:16,240 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:16,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,241 - INFO - number of orbitals:  135
+2024-12-09 10:29:16,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,241 - INFO - moving on ...
+2024-12-09 10:29:16,241 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:16,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,242 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,243 - INFO - moving on ...
+2024-12-09 10:29:16,243 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:16,243 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:16,243 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:16,243 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,243 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:16,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,244 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,244 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,244 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,244 - INFO - moving on ...
+2024-12-09 10:29:16,244 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:16,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,245 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,245 - INFO - moving on ...
+2024-12-09 10:29:16,245 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:16,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,247 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,247 - INFO - moving on ...
+2024-12-09 10:29:16,247 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:16,247 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:16,247 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:16,247 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,247 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:16,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,248 - INFO - number of orbitals:  38
+2024-12-09 10:29:16,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,248 - INFO - moving on ...
+2024-12-09 10:29:16,248 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:16,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,249 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,250 - INFO - moving on ...
+2024-12-09 10:29:16,250 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:16,250 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:16,250 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:16,250 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,250 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:16,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,251 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,251 - INFO - moving on ...
+2024-12-09 10:29:16,251 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:16,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,252 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,252 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,252 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,253 - INFO - moving on ...
+2024-12-09 10:29:16,253 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:16,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,254 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,254 - INFO - moving on ...
+2024-12-09 10:29:16,254 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:16,254 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:16,254 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:16,254 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,254 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:16,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,255 - INFO - number of orbitals:  38
+2024-12-09 10:29:16,255 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,255 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,255 - INFO - moving on ...
+2024-12-09 10:29:16,255 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:16,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,257 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,257 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,257 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,257 - INFO - moving on ...
+2024-12-09 10:29:16,257 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:16,257 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:16,257 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:16,257 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,257 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:16,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,258 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,258 - INFO - moving on ...
+2024-12-09 10:29:16,258 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:16,259 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:16,259 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:16,259 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,259 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:16,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,260 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,260 - INFO - moving on ...
+2024-12-09 10:29:16,260 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:16,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,261 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,261 - INFO - moving on ...
+2024-12-09 10:29:16,261 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:16,261 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:16,261 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:16,261 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,261 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:16,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,263 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,263 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,263 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:16,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:16,263 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:16,279 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,279 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,279 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:16,279 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:16,280 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:16,280 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,280 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:16,280 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,280 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,280 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,282 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,282 - INFO - moving on ...
+2024-12-09 10:29:16,282 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:16,282 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,282 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,282 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,284 - INFO - number of orbitals:  46
+2024-12-09 10:29:16,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,284 - INFO - moving on ...
+2024-12-09 10:29:16,284 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:16,284 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,284 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,284 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,286 - INFO - number of orbitals:  46
+2024-12-09 10:29:16,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,286 - INFO - moving on ...
+2024-12-09 10:29:16,286 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:16,286 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,286 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,286 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,288 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,288 - INFO - moving on ...
+2024-12-09 10:29:16,288 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:16,288 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:16,288 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:16,288 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,288 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:16,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,289 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,289 - INFO - number of supporting files: 2
+2024-12-09 10:29:16,289 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:16,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:16,289 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:16,304 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,304 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,305 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:16,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:16,305 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:16,305 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:16,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,306 - INFO - number of orbitals:  85
+2024-12-09 10:29:16,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,306 - INFO - moving on ...
+2024-12-09 10:29:16,306 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:16,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,307 - INFO - number of orbitals:  44
+2024-12-09 10:29:16,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,307 - INFO - moving on ...
+2024-12-09 10:29:16,308 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:16,308 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:16,308 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:16,308 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,308 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:16,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,309 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,309 - INFO - moving on ...
+2024-12-09 10:29:16,309 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:16,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,310 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,310 - INFO - moving on ...
+2024-12-09 10:29:16,310 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:16,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,311 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,311 - INFO - moving on ...
+2024-12-09 10:29:16,312 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:16,312 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:16,312 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:16,312 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,312 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:16,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,313 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,313 - INFO - number of supporting files: 2
+2024-12-09 10:29:16,313 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:16,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:16,313 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:16,329 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,329 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,329 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:16,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:16,329 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:16,329 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:16,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,331 - INFO - number of orbitals:  85
+2024-12-09 10:29:16,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,331 - INFO - moving on ...
+2024-12-09 10:29:16,331 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:16,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,332 - INFO - number of orbitals:  44
+2024-12-09 10:29:16,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,332 - INFO - moving on ...
+2024-12-09 10:29:16,332 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:16,333 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:16,333 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:16,333 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,333 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:16,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,334 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,334 - INFO - moving on ...
+2024-12-09 10:29:16,334 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:16,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,336 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,336 - INFO - moving on ...
+2024-12-09 10:29:16,336 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:16,336 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:16,336 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:16,336 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,336 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:16,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,337 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,337 - INFO - moving on ...
+2024-12-09 10:29:16,337 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:16,337 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:16,337 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:16,338 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,338 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:16,338 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,338 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,338 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,339 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,339 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,339 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:16,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:16,340 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:16,359 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,360 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,360 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:16,360 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,360 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,360 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,362 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,362 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,362 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:16,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:16,362 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:16,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,378 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,378 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:16,378 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,378 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,378 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,380 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,380 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,380 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:16,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:16,380 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:16,396 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,396 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,396 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:16,396 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,396 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,396 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,398 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,398 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,398 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:16,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:16,398 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:16,414 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,415 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,415 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:16,415 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,415 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,415 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,417 - INFO - number of orbitals:  33
+2024-12-09 10:29:16,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,417 - INFO - moving on ...
+2024-12-09 10:29:16,417 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:16,417 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,417 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,417 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,419 - INFO - number of orbitals:  23
+2024-12-09 10:29:16,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,419 - INFO - moving on ...
+2024-12-09 10:29:16,419 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:16,419 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,419 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,419 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,421 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,421 - INFO - moving on ...
+2024-12-09 10:29:16,421 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:16,421 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,421 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,421 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,423 - INFO - number of orbitals:  21
+2024-12-09 10:29:16,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,423 - INFO - moving on ...
+2024-12-09 10:29:16,423 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:16,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,423 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,423 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,425 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,425 - INFO - moving on ...
+2024-12-09 10:29:16,425 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:16,425 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:16,425 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:16,425 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,425 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:16,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,426 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,426 - INFO - moving on ...
+2024-12-09 10:29:16,426 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:16,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,428 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,428 - INFO - moving on ...
+2024-12-09 10:29:16,428 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:16,428 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:16,428 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:16,428 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,428 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:16,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,429 - INFO - number of orbitals:  29
+2024-12-09 10:29:16,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,429 - INFO - moving on ...
+2024-12-09 10:29:16,429 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:16,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,430 - INFO - number of orbitals:  72
+2024-12-09 10:29:16,430 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,430 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,431 - INFO - moving on ...
+2024-12-09 10:29:16,431 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:16,431 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:16,431 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:16,431 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,431 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:16,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,432 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,432 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,432 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:16,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:16,432 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:16,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,448 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,448 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:16,448 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:16,448 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:16,448 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,448 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:16,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,450 - INFO - number of orbitals:  48
+2024-12-09 10:29:16,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,450 - INFO - moving on ...
+2024-12-09 10:29:16,450 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:16,450 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:16,450 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:16,450 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,450 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:16,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,451 - INFO - number of orbitals:  48
+2024-12-09 10:29:16,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,451 - INFO - moving on ...
+2024-12-09 10:29:16,451 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:16,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,452 - INFO - number of orbitals:  116
+2024-12-09 10:29:16,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,452 - INFO - moving on ...
+2024-12-09 10:29:16,453 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:16,453 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:16,453 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:16,453 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,453 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:16,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,454 - INFO - number of orbitals:  22
+2024-12-09 10:29:16,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,454 - INFO - moving on ...
+2024-12-09 10:29:16,454 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:16,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,455 - INFO - number of orbitals:  79
+2024-12-09 10:29:16,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,455 - INFO - moving on ...
+2024-12-09 10:29:16,455 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:16,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,457 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,457 - INFO - moving on ...
+2024-12-09 10:29:16,457 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:16,457 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:16,457 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:16,457 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,457 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:16,457 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,457 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,457 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,459 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,459 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,459 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:16,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:16,459 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:16,475 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,475 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,475 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:16,475 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,475 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,475 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,477 - INFO - number of orbitals:  26
+2024-12-09 10:29:16,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,477 - INFO - moving on ...
+2024-12-09 10:29:16,477 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:16,477 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,478 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,478 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,480 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,480 - INFO - moving on ...
+2024-12-09 10:29:16,480 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:16,480 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,480 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,480 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,482 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,482 - INFO - moving on ...
+2024-12-09 10:29:16,482 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:16,482 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,482 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,482 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,484 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,484 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,484 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:16,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:16,484 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:16,498 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,499 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,499 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:16,499 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,499 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,499 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,501 - INFO - number of orbitals:  26
+2024-12-09 10:29:16,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,501 - INFO - moving on ...
+2024-12-09 10:29:16,501 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:16,501 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,501 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,501 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,503 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,503 - INFO - moving on ...
+2024-12-09 10:29:16,503 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:16,503 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,503 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,503 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,505 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,505 - INFO - moving on ...
+2024-12-09 10:29:16,505 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:16,505 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,505 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,505 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,506 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,507 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,507 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:16,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:16,507 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:16,522 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,523 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,523 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:16,523 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,523 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,523 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,525 - INFO - number of orbitals:  26
+2024-12-09 10:29:16,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,525 - INFO - moving on ...
+2024-12-09 10:29:16,525 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:16,525 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,525 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,525 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,527 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,527 - INFO - moving on ...
+2024-12-09 10:29:16,527 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:16,527 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,527 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,527 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,529 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,529 - INFO - moving on ...
+2024-12-09 10:29:16,529 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:16,529 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:16,529 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:16,529 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,529 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:16,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,530 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,530 - INFO - number of supporting files: 2
+2024-12-09 10:29:16,530 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:16,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:16,531 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:16,545 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,546 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,546 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:16,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:16,546 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:16,546 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:16,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,547 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,547 - INFO - moving on ...
+2024-12-09 10:29:16,547 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:16,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,548 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,548 - INFO - moving on ...
+2024-12-09 10:29:16,548 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:16,549 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:16,549 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:16,549 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,549 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:16,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,550 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,550 - INFO - moving on ...
+2024-12-09 10:29:16,550 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:16,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,551 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,551 - INFO - moving on ...
+2024-12-09 10:29:16,551 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:16,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,552 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,553 - INFO - moving on ...
+2024-12-09 10:29:16,553 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:16,553 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:16,553 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:16,553 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,553 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:16,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,554 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,554 - INFO - moving on ...
+2024-12-09 10:29:16,554 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:16,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,555 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,555 - INFO - moving on ...
+2024-12-09 10:29:16,555 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:16,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,557 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,557 - INFO - moving on ...
+2024-12-09 10:29:16,557 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:16,557 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:16,557 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:16,557 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,557 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:16,557 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,557 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,557 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,559 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,559 - INFO - moving on ...
+2024-12-09 10:29:16,559 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:16,559 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,559 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,559 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,561 - INFO - number of orbitals:  53
+2024-12-09 10:29:16,561 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,561 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,561 - INFO - moving on ...
+2024-12-09 10:29:16,561 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:16,561 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,561 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,561 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,562 - INFO - number of orbitals:  58
+2024-12-09 10:29:16,563 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,563 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,563 - INFO - moving on ...
+2024-12-09 10:29:16,563 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:16,563 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,563 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,563 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,564 - INFO - number of orbitals:  44
+2024-12-09 10:29:16,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,564 - INFO - moving on ...
+2024-12-09 10:29:16,565 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:16,565 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,565 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,565 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,566 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,566 - INFO - moving on ...
+2024-12-09 10:29:16,566 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:16,566 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,567 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,567 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,568 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,568 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,568 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,568 - INFO - moving on ...
+2024-12-09 10:29:16,568 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:16,568 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,568 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,568 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,570 - INFO - number of orbitals:  44
+2024-12-09 10:29:16,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,570 - INFO - moving on ...
+2024-12-09 10:29:16,570 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:16,570 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,570 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,570 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,572 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,572 - INFO - moving on ...
+2024-12-09 10:29:16,572 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:16,572 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,572 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,572 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,574 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,574 - INFO - moving on ...
+2024-12-09 10:29:16,574 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:16,574 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:16,574 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:16,574 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,574 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:16,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,575 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,575 - INFO - moving on ...
+2024-12-09 10:29:16,575 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:16,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,576 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,577 - INFO - moving on ...
+2024-12-09 10:29:16,577 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:16,577 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:16,577 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:16,577 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,577 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:16,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,578 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,578 - INFO - moving on ...
+2024-12-09 10:29:16,578 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:16,578 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:16,578 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:16,578 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,578 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:16,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,580 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,580 - INFO - moving on ...
+2024-12-09 10:29:16,580 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:16,580 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:16,580 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:16,580 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,580 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:16,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,581 - INFO - number of orbitals:  33
+2024-12-09 10:29:16,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,581 - INFO - moving on ...
+2024-12-09 10:29:16,581 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:16,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,582 - INFO - number of orbitals:  74
+2024-12-09 10:29:16,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,582 - INFO - moving on ...
+2024-12-09 10:29:16,582 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:16,583 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:16,583 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:16,583 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,583 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:16,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,584 - INFO - number of orbitals:  38
+2024-12-09 10:29:16,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,584 - INFO - moving on ...
+2024-12-09 10:29:16,584 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:16,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,585 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,585 - INFO - moving on ...
+2024-12-09 10:29:16,585 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:16,585 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:16,585 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:16,585 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,585 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:16,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,586 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,587 - INFO - moving on ...
+2024-12-09 10:29:16,587 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:16,587 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:16,587 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:16,587 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,587 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:16,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,588 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,588 - INFO - moving on ...
+2024-12-09 10:29:16,588 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:16,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,589 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,589 - INFO - moving on ...
+2024-12-09 10:29:16,589 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:16,590 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:16,590 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:16,590 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,590 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:16,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,591 - INFO - number of orbitals:  47
+2024-12-09 10:29:16,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,591 - INFO - moving on ...
+2024-12-09 10:29:16,591 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:16,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,592 - INFO - number of orbitals:  106
+2024-12-09 10:29:16,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,592 - INFO - moving on ...
+2024-12-09 10:29:16,592 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:16,592 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:16,592 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:16,592 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,592 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:16,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,594 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,594 - INFO - moving on ...
+2024-12-09 10:29:16,594 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:16,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,595 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,595 - INFO - moving on ...
+2024-12-09 10:29:16,595 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:16,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,596 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,596 - INFO - moving on ...
+2024-12-09 10:29:16,596 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:16,596 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:16,596 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:16,597 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,597 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:16,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,598 - INFO - number of orbitals:  32
+2024-12-09 10:29:16,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,598 - INFO - moving on ...
+2024-12-09 10:29:16,598 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:16,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,599 - INFO - number of orbitals:  114
+2024-12-09 10:29:16,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,599 - INFO - moving on ...
+2024-12-09 10:29:16,599 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:16,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,600 - INFO - number of orbitals:  64
+2024-12-09 10:29:16,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,600 - INFO - moving on ...
+2024-12-09 10:29:16,600 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:16,601 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:16,601 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:16,601 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,601 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:16,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,602 - INFO - number of orbitals:  24
+2024-12-09 10:29:16,602 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,602 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,602 - INFO - moving on ...
+2024-12-09 10:29:16,602 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:16,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,603 - INFO - number of orbitals:  115
+2024-12-09 10:29:16,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,603 - INFO - moving on ...
+2024-12-09 10:29:16,603 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:16,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,604 - INFO - number of orbitals:  58
+2024-12-09 10:29:16,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,605 - INFO - moving on ...
+2024-12-09 10:29:16,605 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:16,605 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:16,605 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:16,605 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,605 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:16,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,606 - INFO - number of orbitals:  37
+2024-12-09 10:29:16,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,606 - INFO - moving on ...
+2024-12-09 10:29:16,606 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:16,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,607 - INFO - number of orbitals:  78
+2024-12-09 10:29:16,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,608 - INFO - moving on ...
+2024-12-09 10:29:16,608 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:16,608 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:16,608 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:16,608 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,608 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:16,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,609 - INFO - number of orbitals:  58
+2024-12-09 10:29:16,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,609 - INFO - moving on ...
+2024-12-09 10:29:16,609 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:16,609 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:16,609 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:16,609 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,609 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:16,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,610 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,611 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,611 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:16,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:16,611 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:16,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,626 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,627 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:16,627 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:16,627 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:16,627 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,627 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:16,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,628 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,628 - INFO - moving on ...
+2024-12-09 10:29:16,628 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:16,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,629 - INFO - number of orbitals:  86
+2024-12-09 10:29:16,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,630 - INFO - moving on ...
+2024-12-09 10:29:16,630 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:16,630 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:16,630 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:16,630 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,630 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:16,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,631 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,631 - INFO - moving on ...
+2024-12-09 10:29:16,631 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:16,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,632 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,632 - INFO - moving on ...
+2024-12-09 10:29:16,632 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:16,632 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:16,632 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:16,633 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,633 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:16,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,634 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,634 - INFO - moving on ...
+2024-12-09 10:29:16,634 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:16,634 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:16,634 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:16,634 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,634 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:16,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,635 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,635 - INFO - moving on ...
+2024-12-09 10:29:16,635 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:16,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,637 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,637 - INFO - moving on ...
+2024-12-09 10:29:16,637 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:16,637 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:16,637 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:16,637 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,637 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:16,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,638 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,638 - INFO - moving on ...
+2024-12-09 10:29:16,638 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:16,638 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:16,638 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:16,639 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,639 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:16,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,640 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,640 - INFO - moving on ...
+2024-12-09 10:29:16,640 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:16,640 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:16,640 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:16,640 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,640 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:16,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,641 - INFO - number of orbitals:  48
+2024-12-09 10:29:16,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,641 - INFO - moving on ...
+2024-12-09 10:29:16,641 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:16,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,643 - INFO - number of orbitals:  116
+2024-12-09 10:29:16,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,643 - INFO - moving on ...
+2024-12-09 10:29:16,643 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:16,643 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:16,643 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:16,643 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,643 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:16,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,644 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,644 - INFO - moving on ...
+2024-12-09 10:29:16,644 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:16,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,645 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,646 - INFO - moving on ...
+2024-12-09 10:29:16,646 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:16,646 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:16,646 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:16,646 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,646 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:16,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,647 - INFO - number of orbitals:  38
+2024-12-09 10:29:16,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,647 - INFO - moving on ...
+2024-12-09 10:29:16,647 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:16,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,648 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,648 - INFO - moving on ...
+2024-12-09 10:29:16,648 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:16,649 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:16,649 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:16,649 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,649 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:16,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,650 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,650 - INFO - moving on ...
+2024-12-09 10:29:16,650 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:16,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,651 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,651 - INFO - moving on ...
+2024-12-09 10:29:16,651 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:16,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,652 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,652 - INFO - moving on ...
+2024-12-09 10:29:16,652 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:16,653 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:16,653 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:16,653 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,653 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:16,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,654 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,654 - INFO - moving on ...
+2024-12-09 10:29:16,654 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:16,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,655 - INFO - number of orbitals:  135
+2024-12-09 10:29:16,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,655 - INFO - moving on ...
+2024-12-09 10:29:16,655 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:16,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,656 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,657 - INFO - moving on ...
+2024-12-09 10:29:16,657 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:16,657 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:16,657 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:16,657 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,657 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:16,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,658 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,658 - INFO - moving on ...
+2024-12-09 10:29:16,658 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:16,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,659 - INFO - number of orbitals:  119
+2024-12-09 10:29:16,660 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,660 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,660 - INFO - moving on ...
+2024-12-09 10:29:16,660 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:16,661 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,661 - INFO - number of orbitals:  62
+2024-12-09 10:29:16,661 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,661 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,661 - INFO - moving on ...
+2024-12-09 10:29:16,661 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:16,661 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:16,661 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:16,661 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,661 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:16,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,662 - INFO - number of orbitals:  32
+2024-12-09 10:29:16,662 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,662 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,662 - INFO - moving on ...
+2024-12-09 10:29:16,663 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:16,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,664 - INFO - number of orbitals:  64
+2024-12-09 10:29:16,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,664 - INFO - moving on ...
+2024-12-09 10:29:16,664 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:16,664 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:16,664 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:16,664 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,664 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:16,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,665 - INFO - number of orbitals:  52
+2024-12-09 10:29:16,665 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,665 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,665 - INFO - moving on ...
+2024-12-09 10:29:16,665 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:16,665 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:16,666 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:16,666 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,666 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:16,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,667 - INFO - number of orbitals:  23
+2024-12-09 10:29:16,667 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,667 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,667 - INFO - moving on ...
+2024-12-09 10:29:16,667 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:16,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,668 - INFO - number of orbitals:  89
+2024-12-09 10:29:16,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,668 - INFO - moving on ...
+2024-12-09 10:29:16,668 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:16,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,669 - INFO - number of orbitals:  48
+2024-12-09 10:29:16,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,670 - INFO - moving on ...
+2024-12-09 10:29:16,670 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:16,670 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:16,670 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:16,670 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,670 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:16,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,671 - INFO - number of orbitals:  46
+2024-12-09 10:29:16,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,671 - INFO - moving on ...
+2024-12-09 10:29:16,671 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:16,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,672 - INFO - number of orbitals:  94
+2024-12-09 10:29:16,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,672 - INFO - moving on ...
+2024-12-09 10:29:16,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:16,673 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:16,673 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:16,673 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,673 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:16,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,674 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,674 - INFO - moving on ...
+2024-12-09 10:29:16,674 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:16,674 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:16,674 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:16,674 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,674 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:16,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,676 - INFO - number of orbitals:  22
+2024-12-09 10:29:16,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,676 - INFO - moving on ...
+2024-12-09 10:29:16,676 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:16,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,677 - INFO - number of orbitals:  79
+2024-12-09 10:29:16,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,677 - INFO - moving on ...
+2024-12-09 10:29:16,677 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:16,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,678 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,678 - INFO - moving on ...
+2024-12-09 10:29:16,678 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:16,678 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:16,678 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:16,679 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,679 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:16,679 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,679 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,679 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,680 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,681 - INFO - moving on ...
+2024-12-09 10:29:16,681 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:16,681 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,681 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,681 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,682 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,682 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,683 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:16,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:16,683 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:16,699 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,699 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,699 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:16,700 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,700 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,700 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,702 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,702 - INFO - moving on ...
+2024-12-09 10:29:16,702 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:16,702 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,704 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,704 - INFO - moving on ...
+2024-12-09 10:29:16,704 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:16,704 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,704 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,704 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,706 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,706 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:16,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:16,706 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:16,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,722 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,727 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:16,727 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,727 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,727 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,729 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,729 - INFO - moving on ...
+2024-12-09 10:29:16,729 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:16,729 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:16,729 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:16,729 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,729 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:16,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,731 - INFO - number of orbitals:  24
+2024-12-09 10:29:16,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,731 - INFO - moving on ...
+2024-12-09 10:29:16,731 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:16,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,732 - INFO - number of orbitals:  115
+2024-12-09 10:29:16,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,732 - INFO - moving on ...
+2024-12-09 10:29:16,732 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:16,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,733 - INFO - number of orbitals:  58
+2024-12-09 10:29:16,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,733 - INFO - moving on ...
+2024-12-09 10:29:16,733 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:16,734 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:16,734 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:16,734 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,734 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:16,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,735 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,735 - INFO - moving on ...
+2024-12-09 10:29:16,735 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:16,735 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:16,735 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:16,735 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,735 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:16,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,736 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,736 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,737 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:16,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:16,737 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:16,753 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,753 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,753 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:16,753 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:16,753 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:16,754 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,754 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:16,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,754 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,754 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,756 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,756 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:16,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:16,756 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:16,772 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,772 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,772 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:16,772 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,773 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,773 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,774 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,775 - INFO - moving on ...
+2024-12-09 10:29:16,775 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:16,775 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,775 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,776 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,776 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,776 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:16,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:16,776 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:16,792 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,793 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,793 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:16,793 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,793 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,793 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,795 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,795 - INFO - moving on ...
+2024-12-09 10:29:16,795 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:16,795 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,795 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,797 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,797 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:16,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:16,797 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:16,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,814 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,814 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:16,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,816 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,816 - INFO - moving on ...
+2024-12-09 10:29:16,816 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:16,816 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:16,816 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:16,816 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,816 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:16,817 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,817 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,817 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,819 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,819 - INFO - moving on ...
+2024-12-09 10:29:16,819 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:16,819 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,819 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,819 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,821 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,821 - INFO - moving on ...
+2024-12-09 10:29:16,821 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:16,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,823 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,824 - INFO - moving on ...
+2024-12-09 10:29:16,824 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:16,824 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:16,824 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:16,824 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,824 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:16,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,825 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,825 - INFO - moving on ...
+2024-12-09 10:29:16,825 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:16,826 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:16,826 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:16,826 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,826 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:16,826 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,828 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,828 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,828 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,828 - INFO - moving on ...
+2024-12-09 10:29:16,828 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:16,828 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,828 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,828 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,831 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,831 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,831 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,831 - INFO - moving on ...
+2024-12-09 10:29:16,831 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:16,831 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,831 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,831 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,833 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,834 - INFO - moving on ...
+2024-12-09 10:29:16,834 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:16,834 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,835 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,835 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,835 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,835 - INFO - moving on ...
+2024-12-09 10:29:16,835 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:16,835 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,835 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,836 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,837 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,837 - INFO - moving on ...
+2024-12-09 10:29:16,837 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:16,837 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,837 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,837 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,839 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,839 - INFO - moving on ...
+2024-12-09 10:29:16,839 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:16,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,839 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,839 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,841 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,841 - INFO - moving on ...
+2024-12-09 10:29:16,841 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:16,841 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,841 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,841 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,843 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,843 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,843 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,843 - INFO - moving on ...
+2024-12-09 10:29:16,843 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:16,843 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,843 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,843 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,845 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,845 - INFO - moving on ...
+2024-12-09 10:29:16,845 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:16,845 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,845 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,847 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,847 - INFO - moving on ...
+2024-12-09 10:29:16,847 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:16,847 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,847 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,847 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,848 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,849 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,849 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,849 - INFO - moving on ...
+2024-12-09 10:29:16,849 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:16,849 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,849 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,849 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,850 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,850 - INFO - moving on ...
+2024-12-09 10:29:16,850 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:16,850 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,851 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,851 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,852 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,852 - INFO - moving on ...
+2024-12-09 10:29:16,852 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:16,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,852 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,854 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,854 - INFO - moving on ...
+2024-12-09 10:29:16,854 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:16,854 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,854 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,854 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,856 - INFO - number of orbitals:  25
+2024-12-09 10:29:16,856 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,856 - INFO - moving on ...
+2024-12-09 10:29:16,856 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:16,856 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,856 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,856 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,858 - INFO - number of orbitals:  39
+2024-12-09 10:29:16,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,858 - INFO - moving on ...
+2024-12-09 10:29:16,858 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:16,858 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:16,858 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:16,858 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,858 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:16,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,859 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,859 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,859 - INFO - moving on ...
+2024-12-09 10:29:16,859 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:16,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,861 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,861 - INFO - moving on ...
+2024-12-09 10:29:16,861 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:16,861 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:16,861 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:16,861 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,861 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:16,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,862 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,862 - INFO - moving on ...
+2024-12-09 10:29:16,862 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:16,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,864 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,864 - INFO - moving on ...
+2024-12-09 10:29:16,864 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:16,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,865 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,865 - INFO - moving on ...
+2024-12-09 10:29:16,865 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:16,865 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:16,865 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:16,865 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,865 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:16,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,866 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,866 - INFO - moving on ...
+2024-12-09 10:29:16,866 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:16,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,868 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,868 - INFO - moving on ...
+2024-12-09 10:29:16,868 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:16,868 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:16,868 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:16,868 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,868 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:16,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,869 - INFO - number of orbitals:  66
+2024-12-09 10:29:16,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,869 - INFO - moving on ...
+2024-12-09 10:29:16,869 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:16,870 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:16,870 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:16,870 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,870 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:16,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,870 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,872 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,872 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:16,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:16,872 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:16,887 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,888 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,888 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:16,888 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,888 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,888 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,890 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,890 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:16,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:16,890 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:16,905 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,906 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,906 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:16,906 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,906 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,906 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,908 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,908 - INFO - moving on ...
+2024-12-09 10:29:16,908 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:16,908 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,908 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,908 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,910 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,910 - INFO - moving on ...
+2024-12-09 10:29:16,910 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:16,910 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,910 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,910 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,911 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,911 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:16,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:16,912 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:16,927 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,927 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,927 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:16,928 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,928 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,928 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,930 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,930 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:16,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:16,930 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:16,945 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,946 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,946 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:16,946 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,946 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,946 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,948 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,948 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,948 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,948 - INFO - moving on ...
+2024-12-09 10:29:16,948 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:16,948 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,948 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,948 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,950 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,950 - INFO - moving on ...
+2024-12-09 10:29:16,950 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:16,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,950 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,950 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,952 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,952 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:16,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:16,952 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:16,967 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,968 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,968 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:16,968 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,968 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,968 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,970 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,971 - INFO - moving on ...
+2024-12-09 10:29:16,971 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:16,971 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,971 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,971 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,973 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,973 - INFO - moving on ...
+2024-12-09 10:29:16,973 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:16,973 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,973 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,973 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,975 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,975 - INFO - moving on ...
+2024-12-09 10:29:16,975 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:16,975 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:16,975 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:16,975 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,975 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:16,975 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,976 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,976 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,977 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,977 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,977 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,977 - INFO - moving on ...
+2024-12-09 10:29:16,978 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:16,978 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,978 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,978 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,979 - INFO - number of orbitals:  108
+2024-12-09 10:29:16,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,980 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,980 - INFO - moving on ...
+2024-12-09 10:29:16,980 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:16,980 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:16,980 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:16,980 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,980 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:16,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,981 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,981 - INFO - moving on ...
+2024-12-09 10:29:16,981 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:16,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,983 - INFO - number of orbitals:  135
+2024-12-09 10:29:16,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,983 - INFO - moving on ...
+2024-12-09 10:29:16,983 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:16,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,984 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,984 - INFO - moving on ...
+2024-12-09 10:29:16,984 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:16,984 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:16,984 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:16,984 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,984 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:16,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,986 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,986 - INFO - moving on ...
+2024-12-09 10:29:16,986 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:16,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,987 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,987 - INFO - moving on ...
+2024-12-09 10:29:16,987 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:16,988 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:16,988 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:16,988 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,988 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:16,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,989 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,989 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,989 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,989 - INFO - moving on ...
+2024-12-09 10:29:16,989 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:16,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,990 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,991 - INFO - moving on ...
+2024-12-09 10:29:16,991 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:16,991 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:16,991 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:16,991 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,991 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:16,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,992 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,992 - INFO - moving on ...
+2024-12-09 10:29:16,992 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:16,992 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:16,992 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:16,993 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,993 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:16,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,994 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,994 - INFO - moving on ...
+2024-12-09 10:29:16,994 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:16,994 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:16,994 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:16,994 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,994 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:16,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,996 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,996 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,996 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,996 - INFO - moving on ...
+2024-12-09 10:29:16,996 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:16,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,997 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,997 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,997 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,997 - INFO - moving on ...
+2024-12-09 10:29:16,997 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:16,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,998 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,998 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,998 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,998 - INFO - moving on ...
+2024-12-09 10:29:16,998 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:16,998 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:16,999 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:16,999 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,999 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:16,999 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,999 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,999 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,000 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,000 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,000 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:17,000 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:17,001 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:17,016 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,017 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,017 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:17,017 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,017 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,017 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,019 - INFO - number of orbitals:  30
+2024-12-09 10:29:17,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,019 - INFO - moving on ...
+2024-12-09 10:29:17,019 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:17,019 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,019 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,019 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,025 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,025 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,025 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:17,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:17,025 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:17,042 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,042 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,042 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:17,042 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,042 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,042 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,044 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,045 - INFO - moving on ...
+2024-12-09 10:29:17,045 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:17,045 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,045 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,045 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,046 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,047 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,047 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:17,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:17,047 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:17,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,063 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,063 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:17,063 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,066 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,066 - INFO - moving on ...
+2024-12-09 10:29:17,066 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:17,066 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,066 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,066 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,068 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,068 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:17,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:17,068 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:17,083 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,084 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,084 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:17,084 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,084 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,084 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,086 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,086 - INFO - moving on ...
+2024-12-09 10:29:17,086 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:17,086 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:17,086 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:17,086 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,086 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:17,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,088 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,088 - INFO - moving on ...
+2024-12-09 10:29:17,088 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:17,088 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:17,088 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:17,088 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,088 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:17,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,089 - INFO - number of orbitals:  33
+2024-12-09 10:29:17,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,089 - INFO - moving on ...
+2024-12-09 10:29:17,089 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:17,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,090 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,091 - INFO - moving on ...
+2024-12-09 10:29:17,091 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:17,091 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:17,091 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:17,091 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,091 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:17,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,092 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,092 - INFO - moving on ...
+2024-12-09 10:29:17,092 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:17,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,093 - INFO - number of orbitals:  119
+2024-12-09 10:29:17,093 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,093 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,093 - INFO - moving on ...
+2024-12-09 10:29:17,094 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:17,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,095 - INFO - number of orbitals:  62
+2024-12-09 10:29:17,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,095 - INFO - moving on ...
+2024-12-09 10:29:17,095 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:17,095 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:17,095 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:17,095 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,095 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:17,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,096 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,096 - INFO - moving on ...
+2024-12-09 10:29:17,096 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:17,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,098 - INFO - number of orbitals:  135
+2024-12-09 10:29:17,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,098 - INFO - moving on ...
+2024-12-09 10:29:17,098 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:17,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,099 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,099 - INFO - moving on ...
+2024-12-09 10:29:17,099 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:17,099 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:17,099 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:17,099 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,099 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:17,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,101 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,101 - INFO - moving on ...
+2024-12-09 10:29:17,101 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:17,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,102 - INFO - number of orbitals:  118
+2024-12-09 10:29:17,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,102 - INFO - moving on ...
+2024-12-09 10:29:17,102 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:17,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,103 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,103 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,103 - INFO - moving on ...
+2024-12-09 10:29:17,103 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:17,103 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:17,104 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:17,104 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,104 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:17,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,105 - INFO - number of orbitals:  38
+2024-12-09 10:29:17,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,105 - INFO - moving on ...
+2024-12-09 10:29:17,105 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:17,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,106 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,106 - INFO - moving on ...
+2024-12-09 10:29:17,106 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:17,106 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:17,106 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:17,106 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,106 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:17,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,108 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,108 - INFO - moving on ...
+2024-12-09 10:29:17,108 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:17,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,109 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,109 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,109 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,109 - INFO - moving on ...
+2024-12-09 10:29:17,109 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:17,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,110 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,110 - INFO - moving on ...
+2024-12-09 10:29:17,110 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:17,110 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:17,110 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:17,110 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,111 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:17,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,112 - INFO - number of orbitals:  38
+2024-12-09 10:29:17,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,112 - INFO - moving on ...
+2024-12-09 10:29:17,112 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:17,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,113 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,113 - INFO - moving on ...
+2024-12-09 10:29:17,113 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:17,113 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:17,113 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:17,113 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,113 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:17,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,115 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,115 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,115 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,115 - INFO - moving on ...
+2024-12-09 10:29:17,115 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:17,115 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:17,115 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:17,115 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,115 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:17,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,116 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,116 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,117 - INFO - moving on ...
+2024-12-09 10:29:17,117 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:17,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,118 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,119 - INFO - moving on ...
+2024-12-09 10:29:17,119 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:17,119 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:17,119 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:17,119 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,119 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:17,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,121 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,121 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,121 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:17,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:17,121 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:17,137 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,138 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,138 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:17,138 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:17,138 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:17,138 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,138 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:17,138 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,138 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,138 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,140 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,140 - INFO - moving on ...
+2024-12-09 10:29:17,140 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:17,141 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,141 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,141 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,142 - INFO - number of orbitals:  46
+2024-12-09 10:29:17,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,143 - INFO - moving on ...
+2024-12-09 10:29:17,143 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:17,143 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,143 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,143 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,144 - INFO - number of orbitals:  46
+2024-12-09 10:29:17,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,145 - INFO - moving on ...
+2024-12-09 10:29:17,145 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:17,145 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,145 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,145 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,146 - INFO - number of orbitals:  30
+2024-12-09 10:29:17,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,146 - INFO - moving on ...
+2024-12-09 10:29:17,146 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:17,147 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:17,147 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:17,147 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,147 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:17,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,148 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,148 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:17,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:17,148 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:17,164 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,164 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,165 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:17,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:17,165 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,165 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:17,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,166 - INFO - number of orbitals:  85
+2024-12-09 10:29:17,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,166 - INFO - moving on ...
+2024-12-09 10:29:17,166 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:17,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,167 - INFO - number of orbitals:  44
+2024-12-09 10:29:17,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,168 - INFO - moving on ...
+2024-12-09 10:29:17,168 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:17,168 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:17,168 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:17,168 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,168 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:17,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,169 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,169 - INFO - moving on ...
+2024-12-09 10:29:17,169 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:17,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,170 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,170 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,170 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,171 - INFO - moving on ...
+2024-12-09 10:29:17,171 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:17,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,172 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,172 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,172 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,172 - INFO - moving on ...
+2024-12-09 10:29:17,172 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:17,172 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:17,172 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:17,172 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,172 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:17,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,173 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,173 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,174 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:17,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:17,174 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:17,190 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,191 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,191 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:17,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:17,191 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,191 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:17,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,193 - INFO - number of orbitals:  85
+2024-12-09 10:29:17,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,193 - INFO - moving on ...
+2024-12-09 10:29:17,193 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:17,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,194 - INFO - number of orbitals:  44
+2024-12-09 10:29:17,194 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,195 - INFO - moving on ...
+2024-12-09 10:29:17,195 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:17,195 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:17,195 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:17,195 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,195 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:17,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,196 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,196 - INFO - moving on ...
+2024-12-09 10:29:17,196 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:17,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,198 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,198 - INFO - moving on ...
+2024-12-09 10:29:17,198 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:17,199 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:17,199 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:17,199 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,199 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:17,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,200 - INFO - number of orbitals:  30
+2024-12-09 10:29:17,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,200 - INFO - moving on ...
+2024-12-09 10:29:17,200 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:17,201 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:17,201 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:17,201 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,201 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:17,201 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,201 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,201 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,203 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,203 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,203 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:17,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:17,203 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:17,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,219 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,219 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:17,219 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,219 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,219 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,221 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,221 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,221 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:17,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:17,222 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:17,238 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,238 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,239 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:17,239 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,239 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,239 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,241 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,241 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,241 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:17,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:17,241 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:17,257 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,257 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,257 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:17,257 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,257 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,257 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,259 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,259 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,259 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:17,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:17,259 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:17,275 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,276 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,276 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:17,276 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,276 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,276 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,278 - INFO - number of orbitals:  33
+2024-12-09 10:29:17,278 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,278 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,278 - INFO - moving on ...
+2024-12-09 10:29:17,278 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:17,278 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,278 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,278 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,280 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,280 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,280 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:17,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:17,280 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:17,297 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,297 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,297 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:17,297 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,297 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,297 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,299 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,299 - INFO - moving on ...
+2024-12-09 10:29:17,299 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:17,299 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,300 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,300 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,301 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,301 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,301 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:17,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:17,301 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:17,317 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,318 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,318 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:17,318 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,318 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,318 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,320 - INFO - number of orbitals:  42
+2024-12-09 10:29:17,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,320 - INFO - moving on ...
+2024-12-09 10:29:17,320 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:17,320 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:17,320 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:17,320 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,320 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:17,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,322 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,322 - INFO - moving on ...
+2024-12-09 10:29:17,322 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:17,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,323 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,323 - INFO - moving on ...
+2024-12-09 10:29:17,323 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:17,324 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:17,324 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:17,324 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,324 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:17,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,325 - INFO - number of orbitals:  29
+2024-12-09 10:29:17,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,325 - INFO - moving on ...
+2024-12-09 10:29:17,325 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:17,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,327 - INFO - number of orbitals:  72
+2024-12-09 10:29:17,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,327 - INFO - moving on ...
+2024-12-09 10:29:17,327 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:17,327 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:17,327 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:17,327 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,327 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:17,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,328 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,328 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,329 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:17,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:17,329 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:17,345 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,345 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,345 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:17,345 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:17,345 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:17,345 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,345 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:17,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,347 - INFO - number of orbitals:  48
+2024-12-09 10:29:17,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,347 - INFO - moving on ...
+2024-12-09 10:29:17,347 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:17,347 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:17,347 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:17,347 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,347 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:17,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,348 - INFO - number of orbitals:  48
+2024-12-09 10:29:17,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,349 - INFO - moving on ...
+2024-12-09 10:29:17,349 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:17,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,350 - INFO - number of orbitals:  116
+2024-12-09 10:29:17,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,350 - INFO - moving on ...
+2024-12-09 10:29:17,350 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:17,350 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:17,350 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:17,350 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,350 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:17,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,351 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,351 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,351 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:17,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:17,352 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:17,368 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,369 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,369 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:17,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:17,369 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,369 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:17,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,370 - INFO - number of orbitals:  79
+2024-12-09 10:29:17,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,370 - INFO - moving on ...
+2024-12-09 10:29:17,370 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:17,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,371 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,371 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,371 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,371 - INFO - moving on ...
+2024-12-09 10:29:17,372 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:17,372 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:17,372 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:17,372 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,372 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:17,372 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,372 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,372 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,374 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,374 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:17,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:17,374 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:17,391 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,391 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,391 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:17,391 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,391 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,391 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,393 - INFO - number of orbitals:  26
+2024-12-09 10:29:17,394 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,394 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,394 - INFO - moving on ...
+2024-12-09 10:29:17,394 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:17,394 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,394 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,394 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,396 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,396 - INFO - moving on ...
+2024-12-09 10:29:17,396 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:17,396 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,396 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,396 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,398 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,398 - INFO - moving on ...
+2024-12-09 10:29:17,398 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:17,399 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,399 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,399 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,401 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,401 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,401 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:17,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:17,401 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:17,418 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,418 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,418 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:17,418 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,418 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,418 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,420 - INFO - number of orbitals:  26
+2024-12-09 10:29:17,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,420 - INFO - moving on ...
+2024-12-09 10:29:17,420 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:17,420 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,421 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,421 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,422 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,423 - INFO - moving on ...
+2024-12-09 10:29:17,423 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:17,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,423 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,423 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,424 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,424 - INFO - moving on ...
+2024-12-09 10:29:17,425 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:17,425 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,425 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,425 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,426 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,426 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,426 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:17,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:17,427 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:17,442 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,443 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,443 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:17,443 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,443 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,443 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,445 - INFO - number of orbitals:  26
+2024-12-09 10:29:17,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,445 - INFO - moving on ...
+2024-12-09 10:29:17,445 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:17,445 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,447 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,447 - INFO - moving on ...
+2024-12-09 10:29:17,447 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:17,447 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,447 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,447 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,449 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,449 - INFO - moving on ...
+2024-12-09 10:29:17,449 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:17,449 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:17,449 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:17,449 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,449 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:17,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,450 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,450 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,451 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:17,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:17,451 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:17,466 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,467 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,467 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:17,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:17,467 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,467 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:17,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,468 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,468 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,468 - INFO - moving on ...
+2024-12-09 10:29:17,468 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:17,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,470 - INFO - number of orbitals:  30
+2024-12-09 10:29:17,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,470 - INFO - moving on ...
+2024-12-09 10:29:17,470 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:17,470 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:17,470 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:17,470 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,470 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:17,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,471 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,471 - INFO - moving on ...
+2024-12-09 10:29:17,471 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:17,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,473 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,473 - INFO - moving on ...
+2024-12-09 10:29:17,473 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:17,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,474 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,474 - INFO - moving on ...
+2024-12-09 10:29:17,474 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:17,474 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:17,474 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:17,474 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,474 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:17,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,476 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,476 - INFO - moving on ...
+2024-12-09 10:29:17,476 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:17,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,477 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,477 - INFO - moving on ...
+2024-12-09 10:29:17,477 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:17,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,478 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,478 - INFO - moving on ...
+2024-12-09 10:29:17,478 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:17,479 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:17,479 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:17,479 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,479 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:17,479 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,479 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,479 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,480 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,481 - INFO - moving on ...
+2024-12-09 10:29:17,481 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:17,481 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,481 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,481 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,482 - INFO - number of orbitals:  53
+2024-12-09 10:29:17,483 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,483 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,483 - INFO - moving on ...
+2024-12-09 10:29:17,483 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:17,483 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,483 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,483 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,484 - INFO - number of orbitals:  58
+2024-12-09 10:29:17,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,485 - INFO - moving on ...
+2024-12-09 10:29:17,485 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:17,485 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,485 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,485 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,486 - INFO - number of orbitals:  44
+2024-12-09 10:29:17,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,487 - INFO - moving on ...
+2024-12-09 10:29:17,487 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:17,487 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,487 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,487 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,488 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,489 - INFO - moving on ...
+2024-12-09 10:29:17,489 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:17,489 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,489 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,489 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,490 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,490 - INFO - moving on ...
+2024-12-09 10:29:17,491 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:17,491 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,491 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,491 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,492 - INFO - number of orbitals:  44
+2024-12-09 10:29:17,492 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,492 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,492 - INFO - moving on ...
+2024-12-09 10:29:17,492 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:17,492 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,492 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,493 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,494 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,494 - INFO - moving on ...
+2024-12-09 10:29:17,494 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:17,494 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,494 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,494 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,496 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,496 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,496 - INFO - moving on ...
+2024-12-09 10:29:17,496 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:17,496 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:17,496 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:17,496 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,496 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:17,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,498 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,498 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,498 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,498 - INFO - moving on ...
+2024-12-09 10:29:17,498 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:17,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,499 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,499 - INFO - moving on ...
+2024-12-09 10:29:17,499 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:17,499 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:17,499 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:17,499 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,499 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:17,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,501 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,501 - INFO - moving on ...
+2024-12-09 10:29:17,501 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:17,501 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:17,501 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:17,501 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,501 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:17,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,502 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,502 - INFO - moving on ...
+2024-12-09 10:29:17,502 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:17,502 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:17,502 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:17,502 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,502 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:17,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,504 - INFO - number of orbitals:  33
+2024-12-09 10:29:17,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,504 - INFO - moving on ...
+2024-12-09 10:29:17,504 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:17,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,505 - INFO - number of orbitals:  74
+2024-12-09 10:29:17,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,505 - INFO - moving on ...
+2024-12-09 10:29:17,505 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:17,505 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:17,505 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:17,505 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,505 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:17,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,507 - INFO - number of orbitals:  38
+2024-12-09 10:29:17,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,507 - INFO - moving on ...
+2024-12-09 10:29:17,507 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:17,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,508 - INFO - number of orbitals:  90
+2024-12-09 10:29:17,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,508 - INFO - moving on ...
+2024-12-09 10:29:17,508 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:17,508 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:17,508 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:17,508 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,508 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:17,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,510 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,510 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,510 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,510 - INFO - moving on ...
+2024-12-09 10:29:17,510 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:17,510 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:17,510 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:17,510 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,510 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:17,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,511 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,511 - INFO - moving on ...
+2024-12-09 10:29:17,511 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:17,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,512 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,513 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,513 - INFO - moving on ...
+2024-12-09 10:29:17,513 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:17,513 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:17,513 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:17,513 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,513 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:17,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,514 - INFO - number of orbitals:  47
+2024-12-09 10:29:17,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,514 - INFO - moving on ...
+2024-12-09 10:29:17,514 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:17,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,515 - INFO - number of orbitals:  106
+2024-12-09 10:29:17,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,515 - INFO - moving on ...
+2024-12-09 10:29:17,515 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:17,516 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:17,516 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:17,516 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,516 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:17,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,517 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,517 - INFO - moving on ...
+2024-12-09 10:29:17,517 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:17,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,518 - INFO - number of orbitals:  118
+2024-12-09 10:29:17,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,518 - INFO - moving on ...
+2024-12-09 10:29:17,518 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:17,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,520 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,520 - INFO - moving on ...
+2024-12-09 10:29:17,520 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:17,520 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:17,520 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:17,520 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,520 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:17,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,521 - INFO - number of orbitals:  32
+2024-12-09 10:29:17,521 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,521 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,522 - INFO - moving on ...
+2024-12-09 10:29:17,522 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:17,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,523 - INFO - number of orbitals:  114
+2024-12-09 10:29:17,523 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,523 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,523 - INFO - moving on ...
+2024-12-09 10:29:17,523 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:17,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,524 - INFO - number of orbitals:  64
+2024-12-09 10:29:17,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,524 - INFO - moving on ...
+2024-12-09 10:29:17,524 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:17,524 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:17,524 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:17,524 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,524 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:17,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,526 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,526 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:17,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:17,526 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:17,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,543 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,543 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:17,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:17,543 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,543 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:17,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,544 - INFO - number of orbitals:  115
+2024-12-09 10:29:17,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,545 - INFO - moving on ...
+2024-12-09 10:29:17,545 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:17,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,546 - INFO - number of orbitals:  58
+2024-12-09 10:29:17,546 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,546 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,546 - INFO - moving on ...
+2024-12-09 10:29:17,546 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:17,546 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:17,546 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:17,546 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,546 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:17,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,547 - INFO - number of orbitals:  37
+2024-12-09 10:29:17,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,548 - INFO - moving on ...
+2024-12-09 10:29:17,548 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:17,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,549 - INFO - number of orbitals:  78
+2024-12-09 10:29:17,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,549 - INFO - moving on ...
+2024-12-09 10:29:17,549 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:17,549 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:17,549 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:17,549 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,549 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:17,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,550 - INFO - number of orbitals:  58
+2024-12-09 10:29:17,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,551 - INFO - moving on ...
+2024-12-09 10:29:17,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:17,551 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:17,551 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:17,551 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,551 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:17,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,552 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,552 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,552 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:17,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:17,552 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:17,568 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,569 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,569 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:17,569 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:17,569 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:17,569 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,569 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:17,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,570 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,571 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,571 - INFO - moving on ...
+2024-12-09 10:29:17,571 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:17,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,572 - INFO - number of orbitals:  86
+2024-12-09 10:29:17,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,572 - INFO - moving on ...
+2024-12-09 10:29:17,572 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:17,572 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:17,572 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:17,572 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,572 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:17,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,573 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,574 - INFO - moving on ...
+2024-12-09 10:29:17,574 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:17,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,575 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,575 - INFO - moving on ...
+2024-12-09 10:29:17,575 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:17,575 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:17,575 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:17,575 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,575 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:17,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,576 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,577 - INFO - moving on ...
+2024-12-09 10:29:17,577 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:17,577 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:17,577 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:17,577 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,577 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:17,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,578 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,578 - INFO - moving on ...
+2024-12-09 10:29:17,578 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:17,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,579 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,579 - INFO - moving on ...
+2024-12-09 10:29:17,580 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:17,580 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:17,580 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:17,580 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,580 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:17,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,581 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,581 - INFO - moving on ...
+2024-12-09 10:29:17,581 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:17,581 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:17,581 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:17,581 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,581 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:17,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,582 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,583 - INFO - moving on ...
+2024-12-09 10:29:17,583 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:17,583 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:17,583 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:17,583 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,583 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:17,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,584 - INFO - number of orbitals:  48
+2024-12-09 10:29:17,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,584 - INFO - moving on ...
+2024-12-09 10:29:17,584 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:17,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,585 - INFO - number of orbitals:  116
+2024-12-09 10:29:17,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,585 - INFO - moving on ...
+2024-12-09 10:29:17,585 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:17,586 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:17,586 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:17,586 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,586 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:17,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,587 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,587 - INFO - moving on ...
+2024-12-09 10:29:17,587 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:17,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,588 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,588 - INFO - moving on ...
+2024-12-09 10:29:17,589 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:17,589 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:17,589 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:17,589 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,589 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:17,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,590 - INFO - number of orbitals:  38
+2024-12-09 10:29:17,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,590 - INFO - moving on ...
+2024-12-09 10:29:17,590 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:17,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,591 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,591 - INFO - moving on ...
+2024-12-09 10:29:17,591 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:17,591 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:17,592 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:17,592 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,592 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:17,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,593 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,593 - INFO - moving on ...
+2024-12-09 10:29:17,593 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:17,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,594 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,594 - INFO - moving on ...
+2024-12-09 10:29:17,594 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:17,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,595 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,596 - INFO - moving on ...
+2024-12-09 10:29:17,596 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:17,596 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:17,596 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:17,596 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,596 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:17,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,597 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,597 - INFO - moving on ...
+2024-12-09 10:29:17,597 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:17,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,598 - INFO - number of orbitals:  135
+2024-12-09 10:29:17,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,598 - INFO - moving on ...
+2024-12-09 10:29:17,598 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:17,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,600 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,600 - INFO - moving on ...
+2024-12-09 10:29:17,600 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:17,600 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:17,600 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:17,600 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,600 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:17,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,601 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,601 - INFO - moving on ...
+2024-12-09 10:29:17,601 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:17,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,603 - INFO - number of orbitals:  119
+2024-12-09 10:29:17,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,603 - INFO - moving on ...
+2024-12-09 10:29:17,603 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:17,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,604 - INFO - number of orbitals:  62
+2024-12-09 10:29:17,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,604 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,604 - INFO - moving on ...
+2024-12-09 10:29:17,604 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:17,604 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:17,604 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:17,604 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,604 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:17,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,606 - INFO - number of orbitals:  32
+2024-12-09 10:29:17,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,606 - INFO - moving on ...
+2024-12-09 10:29:17,606 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:17,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,607 - INFO - number of orbitals:  64
+2024-12-09 10:29:17,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,607 - INFO - moving on ...
+2024-12-09 10:29:17,607 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:17,607 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:17,607 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:17,607 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,607 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:17,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,608 - INFO - number of orbitals:  52
+2024-12-09 10:29:17,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,608 - INFO - moving on ...
+2024-12-09 10:29:17,609 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:17,609 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:17,609 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:17,609 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,609 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:17,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,610 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,610 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,610 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:17,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:17,610 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:17,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,626 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,626 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:17,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:17,626 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,626 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:17,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,628 - INFO - number of orbitals:  89
+2024-12-09 10:29:17,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,628 - INFO - moving on ...
+2024-12-09 10:29:17,628 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:17,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,629 - INFO - number of orbitals:  48
+2024-12-09 10:29:17,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,629 - INFO - moving on ...
+2024-12-09 10:29:17,629 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:17,629 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:17,629 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:17,629 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,629 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:17,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,630 - INFO - number of orbitals:  46
+2024-12-09 10:29:17,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,631 - INFO - moving on ...
+2024-12-09 10:29:17,631 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:17,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,632 - INFO - number of orbitals:  94
+2024-12-09 10:29:17,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,632 - INFO - moving on ...
+2024-12-09 10:29:17,632 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:17,632 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:17,632 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:17,632 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,632 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:17,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,633 - INFO - number of orbitals:  70
+2024-12-09 10:29:17,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,633 - INFO - moving on ...
+2024-12-09 10:29:17,633 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:17,634 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:17,634 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:17,634 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,634 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:17,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,635 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:17,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:17,635 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:17,650 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,651 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,651 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:17,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:17,651 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,651 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:17,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,652 - INFO - number of orbitals:  79
+2024-12-09 10:29:17,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,652 - INFO - moving on ...
+2024-12-09 10:29:17,652 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:17,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,653 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,654 - INFO - moving on ...
+2024-12-09 10:29:17,654 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:17,654 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:17,654 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:17,654 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,654 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:17,654 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,654 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,654 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,656 - INFO - number of orbitals:  42
+2024-12-09 10:29:17,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,656 - INFO - moving on ...
+2024-12-09 10:29:17,656 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:17,656 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,656 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,656 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,658 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,658 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,658 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:17,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:17,658 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:17,674 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,674 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,674 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:17,674 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,674 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,674 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,676 - INFO - number of orbitals:  90
+2024-12-09 10:29:17,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,676 - INFO - moving on ...
+2024-12-09 10:29:17,676 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:17,676 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,678 - INFO - number of orbitals:  42
+2024-12-09 10:29:17,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,678 - INFO - moving on ...
+2024-12-09 10:29:17,678 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:17,678 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,678 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,678 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,680 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,680 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,680 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:17,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:17,680 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:17,695 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,696 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,696 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:17,696 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,696 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,696 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,698 - INFO - number of orbitals:  90
+2024-12-09 10:29:17,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,698 - INFO - moving on ...
+2024-12-09 10:29:17,698 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:17,698 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:17,698 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:17,698 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,698 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:17,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,699 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,699 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,699 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:17,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:17,699 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:17,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,715 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,715 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:17,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:17,715 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,715 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:17,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,716 - INFO - number of orbitals:  115
+2024-12-09 10:29:17,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,716 - INFO - moving on ...
+2024-12-09 10:29:17,716 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:17,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,718 - INFO - number of orbitals:  58
+2024-12-09 10:29:17,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,718 - INFO - moving on ...
+2024-12-09 10:29:17,718 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:17,718 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:17,718 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:17,718 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,718 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:17,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,719 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,719 - INFO - moving on ...
+2024-12-09 10:29:17,719 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:17,720 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:17,720 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:17,720 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,720 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:17,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,721 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,721 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,721 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:17,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:17,721 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:17,737 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,737 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,737 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:17,737 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:17,737 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:17,738 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,738 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:17,738 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,738 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,738 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,740 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,740 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,740 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:17,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:17,740 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:17,755 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,756 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,756 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:17,756 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,756 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,756 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,758 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,758 - INFO - moving on ...
+2024-12-09 10:29:17,758 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:17,758 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,758 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,758 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,760 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,760 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,760 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:17,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:17,760 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:17,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,776 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,776 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:17,776 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,777 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,777 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,778 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,779 - INFO - moving on ...
+2024-12-09 10:29:17,779 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:17,779 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,779 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,779 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,780 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,780 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,780 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:17,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:17,781 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:17,796 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,796 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,797 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:17,797 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,797 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,797 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,799 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,799 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,799 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,799 - INFO - moving on ...
+2024-12-09 10:29:17,799 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:17,799 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:17,799 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:17,799 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,799 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:17,799 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,799 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,799 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,801 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,801 - INFO - moving on ...
+2024-12-09 10:29:17,801 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:17,801 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,801 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,801 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,803 - INFO - number of orbitals:  70
+2024-12-09 10:29:17,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,803 - INFO - moving on ...
+2024-12-09 10:29:17,803 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:17,803 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,803 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,803 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,805 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,805 - INFO - moving on ...
+2024-12-09 10:29:17,805 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:17,805 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:17,805 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:17,805 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,805 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:17,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,806 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,806 - INFO - moving on ...
+2024-12-09 10:29:17,806 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:17,807 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:17,807 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:17,807 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,807 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:17,807 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,807 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,807 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,808 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,809 - INFO - moving on ...
+2024-12-09 10:29:17,809 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:17,809 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,809 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,809 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,810 - INFO - number of orbitals:  70
+2024-12-09 10:29:17,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,810 - INFO - moving on ...
+2024-12-09 10:29:17,811 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:17,811 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,811 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,811 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,812 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,812 - INFO - moving on ...
+2024-12-09 10:29:17,812 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:17,812 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,813 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,813 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,814 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,814 - INFO - moving on ...
+2024-12-09 10:29:17,814 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:17,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,816 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,816 - INFO - moving on ...
+2024-12-09 10:29:17,816 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:17,816 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,816 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,816 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,818 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,818 - INFO - moving on ...
+2024-12-09 10:29:17,818 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:17,818 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,818 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,818 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,820 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,820 - INFO - moving on ...
+2024-12-09 10:29:17,820 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:17,820 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,820 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,820 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,822 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,822 - INFO - moving on ...
+2024-12-09 10:29:17,822 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:17,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,824 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,824 - INFO - moving on ...
+2024-12-09 10:29:17,824 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:17,824 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,824 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,824 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,826 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,826 - INFO - moving on ...
+2024-12-09 10:29:17,826 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:17,826 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,828 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,828 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,828 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,828 - INFO - moving on ...
+2024-12-09 10:29:17,828 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:17,828 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,828 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,828 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,830 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,830 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,830 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,830 - INFO - moving on ...
+2024-12-09 10:29:17,830 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:17,830 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,830 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,830 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,832 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,832 - INFO - moving on ...
+2024-12-09 10:29:17,832 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:17,832 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,832 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,832 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,833 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,834 - INFO - moving on ...
+2024-12-09 10:29:17,834 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:17,834 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,835 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,835 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:17,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:17,836 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:17,851 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,852 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,852 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:17,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,852 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,854 - INFO - number of orbitals:  39
+2024-12-09 10:29:17,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,854 - INFO - moving on ...
+2024-12-09 10:29:17,854 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:17,854 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:17,854 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:17,854 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,854 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:17,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,855 - INFO - number of orbitals:  42
+2024-12-09 10:29:17,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,856 - INFO - moving on ...
+2024-12-09 10:29:17,856 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:17,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,857 - INFO - number of orbitals:  90
+2024-12-09 10:29:17,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,857 - INFO - moving on ...
+2024-12-09 10:29:17,857 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:17,857 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:17,857 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:17,857 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,857 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:17,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,858 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,858 - INFO - moving on ...
+2024-12-09 10:29:17,858 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:17,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,860 - INFO - number of orbitals:  118
+2024-12-09 10:29:17,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,860 - INFO - moving on ...
+2024-12-09 10:29:17,860 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:17,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,861 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,861 - INFO - moving on ...
+2024-12-09 10:29:17,861 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:17,861 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:17,861 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:17,861 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,861 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:17,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,862 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,863 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,863 - INFO - moving on ...
+2024-12-09 10:29:17,863 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:17,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,864 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,864 - INFO - moving on ...
+2024-12-09 10:29:17,864 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:17,864 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:17,864 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:17,864 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,864 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:17,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,865 - INFO - number of orbitals:  66
+2024-12-09 10:29:17,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,865 - INFO - moving on ...
+2024-12-09 10:29:17,866 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:17,866 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:17,866 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:17,866 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,866 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:17,866 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,866 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,866 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,868 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,868 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:17,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:17,868 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:17,883 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,884 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,884 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:17,884 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,884 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,884 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,886 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,886 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,886 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:17,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:17,886 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:17,901 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,902 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,902 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:17,902 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,902 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,902 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,904 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,904 - INFO - moving on ...
+2024-12-09 10:29:17,904 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:17,904 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,904 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,904 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,906 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,906 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,906 - INFO - moving on ...
+2024-12-09 10:29:17,906 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:17,906 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,906 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,906 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,908 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,908 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,908 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:17,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:17,908 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:17,923 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,923 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,924 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:17,924 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,924 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,924 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,926 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,926 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,926 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:17,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:17,926 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:17,942 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,942 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,942 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:17,942 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,942 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,942 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,944 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,944 - INFO - moving on ...
+2024-12-09 10:29:17,944 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:17,944 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,945 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,945 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,946 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,946 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,946 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,946 - INFO - moving on ...
+2024-12-09 10:29:17,946 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:17,946 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,947 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,947 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,948 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,948 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,948 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:17,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:17,948 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:17,963 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,964 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,964 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:17,964 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,964 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,964 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,966 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,966 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,966 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:17,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:17,966 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:17,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,982 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,982 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:17,982 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,982 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,982 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,984 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,984 - INFO - moving on ...
+2024-12-09 10:29:17,984 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:17,984 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,984 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,984 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,986 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,986 - INFO - moving on ...
+2024-12-09 10:29:17,986 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:17,986 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:17,986 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:17,986 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,986 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:17,986 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,987 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,987 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,988 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,988 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,988 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:17,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:17,988 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:18,004 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,004 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,005 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:18,005 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,005 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,005 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,007 - INFO - number of orbitals:  108
+2024-12-09 10:29:18,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,007 - INFO - moving on ...
+2024-12-09 10:29:18,007 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:18,007 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:18,007 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:18,007 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,007 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:18,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,008 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,008 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,008 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,008 - INFO - moving on ...
+2024-12-09 10:29:18,009 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:18,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,010 - INFO - number of orbitals:  135
+2024-12-09 10:29:18,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,010 - INFO - moving on ...
+2024-12-09 10:29:18,010 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:18,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,011 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,011 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,011 - INFO - moving on ...
+2024-12-09 10:29:18,011 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:18,012 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:18,012 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:18,012 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,012 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:18,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,013 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,013 - INFO - moving on ...
+2024-12-09 10:29:18,013 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:18,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,014 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,014 - INFO - moving on ...
+2024-12-09 10:29:18,014 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:18,014 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:18,014 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:18,014 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,015 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:18,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,016 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,016 - INFO - moving on ...
+2024-12-09 10:29:18,016 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:18,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,017 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,017 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,017 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,017 - INFO - moving on ...
+2024-12-09 10:29:18,017 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:18,017 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:18,017 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:18,017 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,017 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:18,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,019 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,019 - INFO - moving on ...
+2024-12-09 10:29:18,019 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:18,019 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:18,019 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:18,019 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,019 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:18,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,020 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,020 - INFO - moving on ...
+2024-12-09 10:29:18,020 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:18,020 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:18,020 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:18,020 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,020 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:18,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,022 - INFO - number of orbitals:  36
+2024-12-09 10:29:18,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,022 - INFO - moving on ...
+2024-12-09 10:29:18,022 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:18,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,023 - INFO - number of orbitals:  118
+2024-12-09 10:29:18,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,023 - INFO - moving on ...
+2024-12-09 10:29:18,023 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:18,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,024 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,024 - INFO - moving on ...
+2024-12-09 10:29:18,024 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:18,025 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:18,025 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:18,025 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,025 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:18,025 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,025 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,025 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,027 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,027 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:18,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:18,027 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:18,042 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,043 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,043 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:18,043 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,043 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,043 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,045 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,046 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:18,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:18,046 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:18,061 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,062 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,062 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:18,062 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,062 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,062 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,064 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,064 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:18,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:18,064 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:18,078 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,079 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,079 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:18,079 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,079 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,079 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,081 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,081 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,081 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,081 - INFO - moving on ...
+2024-12-09 10:29:18,081 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:18,081 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,081 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,081 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,083 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,083 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,083 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:18,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:18,083 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:18,097 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,098 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,098 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:18,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,098 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,098 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,100 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,100 - INFO - moving on ...
+2024-12-09 10:29:18,100 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:18,100 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,100 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,100 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,102 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,102 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:18,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:18,102 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:18,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,118 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,118 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:18,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,120 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,120 - INFO - moving on ...
+2024-12-09 10:29:18,120 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:18,120 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:18,120 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:18,120 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,120 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:18,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,121 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,122 - INFO - moving on ...
+2024-12-09 10:29:18,122 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:18,122 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:18,122 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:18,122 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,122 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:18,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,123 - INFO - number of orbitals:  33
+2024-12-09 10:29:18,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,123 - INFO - moving on ...
+2024-12-09 10:29:18,123 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:18,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,124 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,124 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,124 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,124 - INFO - moving on ...
+2024-12-09 10:29:18,124 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:18,125 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:18,125 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:18,125 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,125 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:18,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,126 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,126 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,126 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:18,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:18,126 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:18,141 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,142 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,142 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:18,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:18,142 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,142 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:18,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,143 - INFO - number of orbitals:  119
+2024-12-09 10:29:18,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,144 - INFO - moving on ...
+2024-12-09 10:29:18,144 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:18,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,145 - INFO - number of orbitals:  62
+2024-12-09 10:29:18,145 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,145 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,145 - INFO - moving on ...
+2024-12-09 10:29:18,145 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:18,145 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:18,145 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:18,145 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,145 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:18,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,146 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,146 - INFO - moving on ...
+2024-12-09 10:29:18,146 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:18,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,147 - INFO - number of orbitals:  135
+2024-12-09 10:29:18,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,147 - INFO - moving on ...
+2024-12-09 10:29:18,148 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:18,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,149 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,149 - INFO - moving on ...
+2024-12-09 10:29:18,149 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:18,149 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:18,149 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:18,149 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,149 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:18,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,150 - INFO - number of orbitals:  36
+2024-12-09 10:29:18,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,150 - INFO - moving on ...
+2024-12-09 10:29:18,150 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:18,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,151 - INFO - number of orbitals:  118
+2024-12-09 10:29:18,151 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,151 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,151 - INFO - moving on ...
+2024-12-09 10:29:18,152 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:18,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,153 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,153 - INFO - moving on ...
+2024-12-09 10:29:18,153 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:18,153 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:18,153 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:18,153 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,153 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:18,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,154 - INFO - number of orbitals:  38
+2024-12-09 10:29:18,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,154 - INFO - moving on ...
+2024-12-09 10:29:18,154 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:18,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,155 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,156 - INFO - moving on ...
+2024-12-09 10:29:18,156 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:18,156 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:18,156 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:18,156 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,156 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:18,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,157 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,157 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,157 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:18,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:18,157 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:18,173 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,173 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,174 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:18,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:18,174 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,174 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:18,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,175 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,175 - INFO - moving on ...
+2024-12-09 10:29:18,175 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:18,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,176 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,176 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,177 - INFO - moving on ...
+2024-12-09 10:29:18,177 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:18,177 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:18,177 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:18,177 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,177 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:18,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,178 - INFO - number of orbitals:  38
+2024-12-09 10:29:18,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,178 - INFO - moving on ...
+2024-12-09 10:29:18,178 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:18,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,179 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,180 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,180 - INFO - moving on ...
+2024-12-09 10:29:18,180 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:18,180 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:18,180 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:18,180 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,180 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:18,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,181 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,181 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,181 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,181 - INFO - moving on ...
+2024-12-09 10:29:18,181 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:18,181 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:18,181 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:18,181 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,181 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:18,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,183 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,183 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,183 - INFO - moving on ...
+2024-12-09 10:29:18,183 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:18,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,184 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,184 - INFO - moving on ...
+2024-12-09 10:29:18,184 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:18,184 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:18,184 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:18,184 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,184 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:18,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,185 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,186 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,186 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:18,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:18,186 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:18,202 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,202 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,202 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:18,203 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:18,203 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:18,203 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,203 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:18,203 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,203 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,203 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,205 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,205 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,205 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,205 - INFO - moving on ...
+2024-12-09 10:29:18,205 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:18,205 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,205 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,205 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,207 - INFO - number of orbitals:  46
+2024-12-09 10:29:18,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,207 - INFO - moving on ...
+2024-12-09 10:29:18,207 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:18,207 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,207 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,207 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,209 - INFO - number of orbitals:  46
+2024-12-09 10:29:18,209 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,209 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,209 - INFO - moving on ...
+2024-12-09 10:29:18,209 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:18,209 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,209 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,209 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,211 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,211 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,211 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:18,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:18,211 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:18,227 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,228 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,228 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:18,228 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:18,228 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:18,228 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,228 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:18,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,229 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,230 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,230 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:18,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:18,230 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:18,246 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,246 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,246 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:18,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:18,246 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,247 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:18,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,248 - INFO - number of orbitals:  85
+2024-12-09 10:29:18,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,248 - INFO - moving on ...
+2024-12-09 10:29:18,248 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:18,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,250 - INFO - number of orbitals:  44
+2024-12-09 10:29:18,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,250 - INFO - moving on ...
+2024-12-09 10:29:18,250 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:18,250 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:18,250 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:18,250 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,250 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:18,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,251 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,251 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,251 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:18,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:18,251 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:18,267 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,267 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,267 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:18,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:18,267 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,268 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:18,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,269 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,269 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,269 - INFO - moving on ...
+2024-12-09 10:29:18,269 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:18,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,270 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,270 - INFO - moving on ...
+2024-12-09 10:29:18,270 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:18,271 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:18,271 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:18,271 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,271 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:18,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,272 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,272 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:18,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:18,272 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:18,288 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,288 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,288 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:18,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:18,289 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,289 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:18,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,290 - INFO - number of orbitals:  85
+2024-12-09 10:29:18,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,290 - INFO - moving on ...
+2024-12-09 10:29:18,290 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:18,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,292 - INFO - number of orbitals:  44
+2024-12-09 10:29:18,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,292 - INFO - moving on ...
+2024-12-09 10:29:18,292 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:18,292 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:18,292 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:18,292 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,292 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:18,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,293 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,293 - INFO - moving on ...
+2024-12-09 10:29:18,293 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:18,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,295 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,295 - INFO - moving on ...
+2024-12-09 10:29:18,295 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:18,295 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:18,295 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:18,295 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,295 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:18,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,296 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,296 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:18,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:18,296 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:18,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,313 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,313 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:18,314 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:18,314 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:18,314 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,314 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:18,314 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,314 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,314 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,316 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,316 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:18,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:18,316 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:18,332 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,332 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,332 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:18,332 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,333 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,333 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,334 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,335 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,335 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:18,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:18,335 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:18,351 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,351 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,352 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:18,352 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,352 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,352 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,354 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,354 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,354 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:18,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:18,354 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:18,370 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,370 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,370 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:18,370 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,370 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,370 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,372 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,372 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,372 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:18,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:18,372 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:18,388 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,388 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,389 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:18,389 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,389 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,389 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,391 - INFO - number of orbitals:  33
+2024-12-09 10:29:18,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,391 - INFO - moving on ...
+2024-12-09 10:29:18,391 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:18,391 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,391 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,391 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,393 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,393 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,393 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:18,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:18,393 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:18,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,409 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,409 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:18,409 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,409 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,409 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,411 - INFO - number of orbitals:  45
+2024-12-09 10:29:18,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,411 - INFO - moving on ...
+2024-12-09 10:29:18,411 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:18,412 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,412 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,412 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,413 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,413 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:18,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:18,414 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:18,429 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,429 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,430 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:18,430 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,430 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,430 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,432 - INFO - number of orbitals:  42
+2024-12-09 10:29:18,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,432 - INFO - moving on ...
+2024-12-09 10:29:18,432 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:18,432 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:18,432 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:18,432 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,432 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:18,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,433 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,433 - INFO - moving on ...
+2024-12-09 10:29:18,433 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:18,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,435 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,435 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,435 - INFO - moving on ...
+2024-12-09 10:29:18,435 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:18,435 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:18,435 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:18,435 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,435 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:18,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,436 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,436 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,436 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:18,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:18,436 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:18,455 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,455 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,456 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:18,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:18,456 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,456 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:18,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,458 - INFO - number of orbitals:  72
+2024-12-09 10:29:18,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,458 - INFO - moving on ...
+2024-12-09 10:29:18,458 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:18,458 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:18,458 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:18,458 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,458 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:18,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,460 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,460 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,460 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:18,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:18,460 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:18,476 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,477 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,477 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:18,477 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:18,477 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:18,477 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,477 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:18,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,479 - INFO - number of orbitals:  48
+2024-12-09 10:29:18,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,479 - INFO - moving on ...
+2024-12-09 10:29:18,479 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:18,479 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:18,479 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:18,479 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,479 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:18,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,480 - INFO - number of orbitals:  48
+2024-12-09 10:29:18,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,480 - INFO - moving on ...
+2024-12-09 10:29:18,480 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:18,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,481 - INFO - number of orbitals:  116
+2024-12-09 10:29:18,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,482 - INFO - moving on ...
+2024-12-09 10:29:18,482 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:18,482 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:18,482 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:18,482 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,482 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:18,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,483 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,483 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,483 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:18,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:18,483 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:18,499 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,500 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,500 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:18,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:18,500 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,500 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:18,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,501 - INFO - number of orbitals:  79
+2024-12-09 10:29:18,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,501 - INFO - moving on ...
+2024-12-09 10:29:18,501 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:18,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,503 - INFO - number of orbitals:  45
+2024-12-09 10:29:18,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,503 - INFO - moving on ...
+2024-12-09 10:29:18,503 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:18,503 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:18,503 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:18,503 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,503 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:18,503 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,503 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,503 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,505 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,505 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,505 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:18,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:18,505 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:18,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,522 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,522 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:18,522 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,522 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,522 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,524 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,524 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,524 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:18,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:18,524 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:18,540 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,540 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,540 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:18,540 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,541 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,541 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,542 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,543 - INFO - moving on ...
+2024-12-09 10:29:18,543 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:18,543 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,543 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,543 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,544 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,544 - INFO - moving on ...
+2024-12-09 10:29:18,544 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:18,545 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,545 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,545 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,546 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,546 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:18,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:18,547 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:18,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,563 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,563 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:18,563 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,563 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,563 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,565 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,565 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:18,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:18,565 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:18,580 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,581 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,581 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:18,581 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,581 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,581 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,583 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,583 - INFO - moving on ...
+2024-12-09 10:29:18,583 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:18,583 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,583 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,583 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,585 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,585 - INFO - moving on ...
+2024-12-09 10:29:18,585 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:18,585 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,585 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,585 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,587 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,587 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,587 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:18,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:18,587 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:18,603 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,603 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,603 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:18,603 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,605 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,605 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,605 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:18,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:18,605 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:18,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,622 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,622 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:18,622 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,622 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,622 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,624 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,624 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,624 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,624 - INFO - moving on ...
+2024-12-09 10:29:18,624 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:18,624 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,624 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,624 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,626 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,626 - INFO - moving on ...
+2024-12-09 10:29:18,626 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:18,626 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:18,626 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:18,626 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,626 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:18,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,628 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,628 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:18,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:18,628 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:18,643 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,644 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,644 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:18,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:18,644 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,644 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:18,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,645 - INFO - number of orbitals:  55
+2024-12-09 10:29:18,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,645 - INFO - moving on ...
+2024-12-09 10:29:18,645 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:18,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,647 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,647 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,647 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:18,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:18,647 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:18,663 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,664 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,664 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:18,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:18,664 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,664 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:18,664 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:18,664 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:18,665 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,665 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:18,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,666 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,666 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:18,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:18,666 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:18,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,683 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,683 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:18,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:18,683 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,683 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:18,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,684 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,684 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,684 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,684 - INFO - moving on ...
+2024-12-09 10:29:18,685 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:18,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,686 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,686 - INFO - moving on ...
+2024-12-09 10:29:18,686 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:18,686 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:18,686 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:18,686 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,686 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:18,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,687 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,688 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,688 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:18,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:18,688 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:18,704 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,704 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,704 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:18,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:18,704 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,704 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:18,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,706 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,706 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,706 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,706 - INFO - moving on ...
+2024-12-09 10:29:18,706 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:18,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,707 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,707 - INFO - moving on ...
+2024-12-09 10:29:18,707 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:18,707 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:18,707 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:18,707 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,707 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:18,708 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,708 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,708 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,709 - INFO - number of orbitals:  45
+2024-12-09 10:29:18,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,710 - INFO - moving on ...
+2024-12-09 10:29:18,710 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:18,710 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,710 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,710 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,711 - INFO - number of orbitals:  53
+2024-12-09 10:29:18,711 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,711 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,711 - INFO - moving on ...
+2024-12-09 10:29:18,711 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:18,712 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,712 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,712 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,713 - INFO - number of orbitals:  58
+2024-12-09 10:29:18,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,713 - INFO - moving on ...
+2024-12-09 10:29:18,713 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:18,713 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,713 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,713 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,715 - INFO - number of orbitals:  44
+2024-12-09 10:29:18,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,715 - INFO - moving on ...
+2024-12-09 10:29:18,715 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:18,715 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,715 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,715 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,717 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,717 - INFO - moving on ...
+2024-12-09 10:29:18,717 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:18,717 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,717 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,717 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,719 - INFO - number of orbitals:  55
+2024-12-09 10:29:18,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,719 - INFO - moving on ...
+2024-12-09 10:29:18,719 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:18,719 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,719 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,719 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,721 - INFO - number of orbitals:  44
+2024-12-09 10:29:18,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,721 - INFO - moving on ...
+2024-12-09 10:29:18,721 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:18,721 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,721 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,721 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,722 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,723 - INFO - moving on ...
+2024-12-09 10:29:18,723 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:18,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,724 - INFO - number of orbitals:  55
+2024-12-09 10:29:18,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,725 - INFO - moving on ...
+2024-12-09 10:29:18,725 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:18,725 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:18,725 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:18,725 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,725 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:18,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,726 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,726 - INFO - moving on ...
+2024-12-09 10:29:18,726 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:18,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,727 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,727 - INFO - moving on ...
+2024-12-09 10:29:18,727 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:18,728 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:18,728 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:18,728 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,728 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:18,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,729 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,729 - INFO - moving on ...
+2024-12-09 10:29:18,729 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:18,729 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:18,729 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:18,729 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,729 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:18,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,730 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,730 - INFO - moving on ...
+2024-12-09 10:29:18,730 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:18,731 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:18,731 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:18,731 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,731 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:18,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,732 - INFO - number of orbitals:  33
+2024-12-09 10:29:18,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,732 - INFO - moving on ...
+2024-12-09 10:29:18,732 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:18,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,734 - INFO - number of orbitals:  74
+2024-12-09 10:29:18,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,734 - INFO - moving on ...
+2024-12-09 10:29:18,734 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:18,734 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:18,734 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:18,734 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,734 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:18,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,735 - INFO - number of orbitals:  38
+2024-12-09 10:29:18,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,735 - INFO - moving on ...
+2024-12-09 10:29:18,735 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:18,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,737 - INFO - number of orbitals:  90
+2024-12-09 10:29:18,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,737 - INFO - moving on ...
+2024-12-09 10:29:18,737 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:18,737 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:18,737 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:18,737 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,737 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:18,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,738 - INFO - number of orbitals:  69
+2024-12-09 10:29:18,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,738 - INFO - moving on ...
+2024-12-09 10:29:18,738 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:18,739 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:18,739 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:18,739 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,739 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:18,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,740 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,740 - INFO - moving on ...
+2024-12-09 10:29:18,740 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:18,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,741 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,741 - INFO - moving on ...
+2024-12-09 10:29:18,741 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:18,741 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:18,741 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:18,741 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,741 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:18,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,743 - INFO - number of orbitals:  47
+2024-12-09 10:29:18,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,743 - INFO - moving on ...
+2024-12-09 10:29:18,743 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:18,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,744 - INFO - number of orbitals:  106
+2024-12-09 10:29:18,744 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,744 - INFO - moving on ...
+2024-12-09 10:29:18,744 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:18,744 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:18,744 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:18,744 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,744 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:18,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,745 - INFO - number of orbitals:  36
+2024-12-09 10:29:18,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,746 - INFO - moving on ...
+2024-12-09 10:29:18,746 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:18,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,747 - INFO - number of orbitals:  118
+2024-12-09 10:29:18,747 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,747 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,747 - INFO - moving on ...
+2024-12-09 10:29:18,747 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:18,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,748 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,748 - INFO - moving on ...
+2024-12-09 10:29:18,748 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:18,748 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:18,748 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:18,748 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,748 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:18,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,750 - INFO - number of orbitals:  32
+2024-12-09 10:29:18,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,750 - INFO - moving on ...
+2024-12-09 10:29:18,750 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:18,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,751 - INFO - number of orbitals:  114
+2024-12-09 10:29:18,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,751 - INFO - moving on ...
+2024-12-09 10:29:18,751 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:18,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,752 - INFO - number of orbitals:  64
+2024-12-09 10:29:18,752 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,752 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,752 - INFO - moving on ...
+2024-12-09 10:29:18,752 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:18,753 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:18,753 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:18,753 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,753 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:18,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,754 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,754 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,754 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:18,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:18,754 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:18,770 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,770 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,771 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:18,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:18,771 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,771 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:18,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,772 - INFO - number of orbitals:  115
+2024-12-09 10:29:18,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,772 - INFO - moving on ...
+2024-12-09 10:29:18,772 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:18,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,773 - INFO - number of orbitals:  58
+2024-12-09 10:29:18,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,774 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,774 - INFO - moving on ...
+2024-12-09 10:29:18,774 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:18,774 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:18,774 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:18,774 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,774 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:18,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,775 - INFO - number of orbitals:  37
+2024-12-09 10:29:18,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,775 - INFO - moving on ...
+2024-12-09 10:29:18,775 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:18,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,776 - INFO - number of orbitals:  78
+2024-12-09 10:29:18,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,777 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,777 - INFO - moving on ...
+2024-12-09 10:29:18,777 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:18,777 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:18,777 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:18,777 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,777 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:18,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,778 - INFO - number of orbitals:  58
+2024-12-09 10:29:18,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,778 - INFO - moving on ...
+2024-12-09 10:29:18,778 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:18,778 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:18,778 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:18,778 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,778 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:18,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,780 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,780 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,780 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:18,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:18,780 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:18,798 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,798 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,798 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:18,798 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:18,798 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:18,798 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,799 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:18,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,800 - INFO - number of orbitals:  34
+2024-12-09 10:29:18,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,800 - INFO - moving on ...
+2024-12-09 10:29:18,800 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:18,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,802 - INFO - number of orbitals:  86
+2024-12-09 10:29:18,802 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,802 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,802 - INFO - moving on ...
+2024-12-09 10:29:18,802 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:18,802 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:18,802 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:18,802 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,802 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:18,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,803 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,803 - INFO - moving on ...
+2024-12-09 10:29:18,803 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:18,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,805 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,805 - INFO - moving on ...
+2024-12-09 10:29:18,805 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:18,805 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:18,805 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:18,805 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,805 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:18,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,806 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,806 - INFO - moving on ...
+2024-12-09 10:29:18,806 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:18,806 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:18,806 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:18,806 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,807 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:18,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,808 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,808 - INFO - moving on ...
+2024-12-09 10:29:18,808 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:18,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,809 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,809 - INFO - moving on ...
+2024-12-09 10:29:18,809 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:18,809 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:18,809 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:18,809 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,810 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:18,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,811 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,811 - INFO - moving on ...
+2024-12-09 10:29:18,811 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:18,811 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:18,811 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:18,811 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,811 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:18,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,812 - INFO - number of orbitals:  69
+2024-12-09 10:29:18,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,812 - INFO - moving on ...
+2024-12-09 10:29:18,812 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:18,813 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:18,813 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:18,813 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,813 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:18,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,814 - INFO - number of orbitals:  48
+2024-12-09 10:29:18,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,814 - INFO - moving on ...
+2024-12-09 10:29:18,814 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:18,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,815 - INFO - number of orbitals:  116
+2024-12-09 10:29:18,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,815 - INFO - moving on ...
+2024-12-09 10:29:18,815 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:18,815 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:18,816 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:18,816 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,816 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:18,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,817 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,817 - INFO - moving on ...
+2024-12-09 10:29:18,817 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:18,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,818 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,818 - INFO - moving on ...
+2024-12-09 10:29:18,818 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:18,818 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:18,819 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:18,819 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,819 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:18,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,820 - INFO - number of orbitals:  38
+2024-12-09 10:29:18,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,820 - INFO - moving on ...
+2024-12-09 10:29:18,820 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:18,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,821 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,821 - INFO - moving on ...
+2024-12-09 10:29:18,821 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:18,821 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:18,821 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:18,822 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,822 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:18,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,823 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,823 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,823 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:18,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:18,823 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:18,839 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,839 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,839 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:18,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:18,839 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,839 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:18,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,841 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,841 - INFO - moving on ...
+2024-12-09 10:29:18,841 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:18,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,842 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,842 - INFO - moving on ...
+2024-12-09 10:29:18,842 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:18,842 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:18,842 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:18,842 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,842 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:18,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,844 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,844 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,844 - INFO - moving on ...
+2024-12-09 10:29:18,844 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:18,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,845 - INFO - number of orbitals:  135
+2024-12-09 10:29:18,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,845 - INFO - moving on ...
+2024-12-09 10:29:18,845 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:18,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,846 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,846 - INFO - moving on ...
+2024-12-09 10:29:18,846 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:18,847 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:18,847 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:18,847 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,847 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:18,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,848 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,848 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,848 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:18,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:18,848 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:18,864 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,864 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,864 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:18,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:18,864 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,864 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:18,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,866 - INFO - number of orbitals:  119
+2024-12-09 10:29:18,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,866 - INFO - moving on ...
+2024-12-09 10:29:18,866 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:18,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,867 - INFO - number of orbitals:  62
+2024-12-09 10:29:18,867 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,867 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,867 - INFO - moving on ...
+2024-12-09 10:29:18,867 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:18,867 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:18,867 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:18,867 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,867 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:18,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,869 - INFO - number of orbitals:  32
+2024-12-09 10:29:18,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,869 - INFO - moving on ...
+2024-12-09 10:29:18,869 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:18,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,870 - INFO - number of orbitals:  64
+2024-12-09 10:29:18,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,870 - INFO - moving on ...
+2024-12-09 10:29:18,870 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:18,870 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:18,870 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:18,870 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,870 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:18,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,871 - INFO - number of orbitals:  52
+2024-12-09 10:29:18,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,871 - INFO - moving on ...
+2024-12-09 10:29:18,871 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:18,872 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:18,872 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:18,872 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,872 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:18,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,873 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,873 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,873 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:18,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:18,873 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:18,889 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,889 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,889 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:18,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:18,889 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,889 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:18,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,891 - INFO - number of orbitals:  89
+2024-12-09 10:29:18,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,891 - INFO - moving on ...
+2024-12-09 10:29:18,891 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:18,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,892 - INFO - number of orbitals:  48
+2024-12-09 10:29:18,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,892 - INFO - moving on ...
+2024-12-09 10:29:18,892 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:18,893 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:18,893 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:18,893 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,893 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:18,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,894 - INFO - number of orbitals:  46
+2024-12-09 10:29:18,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,894 - INFO - moving on ...
+2024-12-09 10:29:18,894 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:18,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,895 - INFO - number of orbitals:  94
+2024-12-09 10:29:18,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,895 - INFO - moving on ...
+2024-12-09 10:29:18,895 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:18,896 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:18,896 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:18,896 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,896 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:18,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,897 - INFO - number of orbitals:  70
+2024-12-09 10:29:18,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,897 - INFO - moving on ...
+2024-12-09 10:29:18,897 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:18,897 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:18,897 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:18,897 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,897 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:18,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,898 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,898 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:18,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:18,899 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:18,914 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,914 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,915 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:18,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:18,915 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,915 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:18,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,916 - INFO - number of orbitals:  79
+2024-12-09 10:29:18,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,916 - INFO - moving on ...
+2024-12-09 10:29:18,916 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:18,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,918 - INFO - number of orbitals:  45
+2024-12-09 10:29:18,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,918 - INFO - moving on ...
+2024-12-09 10:29:18,918 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:18,918 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:18,918 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:18,918 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,918 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:18,918 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,918 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,918 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,920 - INFO - number of orbitals:  42
+2024-12-09 10:29:18,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,920 - INFO - moving on ...
+2024-12-09 10:29:18,920 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:18,920 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,920 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,920 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,922 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,922 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,922 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:18,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:18,922 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:18,938 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,938 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,938 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:18,938 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,939 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,939 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,940 - INFO - number of orbitals:  90
+2024-12-09 10:29:18,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,941 - INFO - moving on ...
+2024-12-09 10:29:18,941 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:18,941 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,941 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,941 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,942 - INFO - number of orbitals:  42
+2024-12-09 10:29:18,942 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,942 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,943 - INFO - moving on ...
+2024-12-09 10:29:18,943 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:18,943 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,943 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,943 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,944 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,944 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,944 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:18,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:18,944 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:18,959 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,960 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,960 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:18,960 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,960 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,960 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,962 - INFO - number of orbitals:  90
+2024-12-09 10:29:18,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,962 - INFO - moving on ...
+2024-12-09 10:29:18,962 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:18,962 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:18,962 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:18,962 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,962 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:18,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,963 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,963 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,964 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:18,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:18,964 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:18,979 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,979 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,979 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:18,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:18,979 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,979 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:18,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,981 - INFO - number of orbitals:  115
+2024-12-09 10:29:18,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,981 - INFO - moving on ...
+2024-12-09 10:29:18,981 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:18,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,982 - INFO - number of orbitals:  58
+2024-12-09 10:29:18,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,982 - INFO - moving on ...
+2024-12-09 10:29:18,982 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:18,982 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:18,982 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:18,982 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,982 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:18,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,983 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,983 - INFO - moving on ...
+2024-12-09 10:29:18,984 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:18,984 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:18,984 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:18,984 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,984 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:18,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,985 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,985 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,985 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:18,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:18,985 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:19,000 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,000 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,000 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:19,001 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:19,001 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:19,001 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,001 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:19,001 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,001 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,001 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,003 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,003 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,003 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:19,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:19,003 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:19,019 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,020 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,020 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:19,020 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,020 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,020 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,022 - INFO - number of orbitals:  34
+2024-12-09 10:29:19,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,022 - INFO - moving on ...
+2024-12-09 10:29:19,022 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:19,022 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,022 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,023 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,024 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,024 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,024 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:19,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:19,025 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,041 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,041 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,042 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:19,042 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,042 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,042 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,044 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,044 - INFO - moving on ...
+2024-12-09 10:29:19,044 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:19,044 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,044 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,044 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,046 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,046 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,046 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:19,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:19,046 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:19,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,063 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,063 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:19,063 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,065 - INFO - number of orbitals:  34
+2024-12-09 10:29:19,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,066 - INFO - moving on ...
+2024-12-09 10:29:19,066 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:19,066 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:19,066 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:19,066 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,066 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:19,066 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,066 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,066 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,068 - INFO - number of orbitals:  69
+2024-12-09 10:29:19,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,068 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,068 - INFO - moving on ...
+2024-12-09 10:29:19,068 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:19,068 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,068 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,068 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,070 - INFO - number of orbitals:  70
+2024-12-09 10:29:19,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,070 - INFO - moving on ...
+2024-12-09 10:29:19,070 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:19,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,072 - INFO - number of orbitals:  69
+2024-12-09 10:29:19,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,072 - INFO - moving on ...
+2024-12-09 10:29:19,072 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:19,072 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:19,072 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:19,072 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,072 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:19,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,073 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,074 - INFO - moving on ...
+2024-12-09 10:29:19,074 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:19,074 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:19,074 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:19,074 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,074 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:19,074 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,074 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,074 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,076 - INFO - number of orbitals:  55
+2024-12-09 10:29:19,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,076 - INFO - moving on ...
+2024-12-09 10:29:19,076 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:19,076 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,076 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,076 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,078 - INFO - number of orbitals:  70
+2024-12-09 10:29:19,078 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,078 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,078 - INFO - moving on ...
+2024-12-09 10:29:19,078 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:19,078 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,078 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,079 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,080 - INFO - number of orbitals:  55
+2024-12-09 10:29:19,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,080 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,080 - INFO - moving on ...
+2024-12-09 10:29:19,080 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:19,080 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,080 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,080 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,082 - INFO - number of orbitals:  69
+2024-12-09 10:29:19,082 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,082 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,082 - INFO - moving on ...
+2024-12-09 10:29:19,082 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:19,082 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,082 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,082 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,084 - INFO - number of orbitals:  31
+2024-12-09 10:29:19,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,084 - INFO - moving on ...
+2024-12-09 10:29:19,084 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:19,084 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,084 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,084 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,086 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,086 - INFO - moving on ...
+2024-12-09 10:29:19,086 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:19,086 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,086 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,086 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,088 - INFO - number of orbitals:  55
+2024-12-09 10:29:19,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,088 - INFO - moving on ...
+2024-12-09 10:29:19,088 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:19,088 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,088 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,088 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,090 - INFO - number of orbitals:  69
+2024-12-09 10:29:19,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,090 - INFO - moving on ...
+2024-12-09 10:29:19,090 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:19,090 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,090 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,090 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,091 - INFO - number of orbitals:  31
+2024-12-09 10:29:19,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,091 - INFO - moving on ...
+2024-12-09 10:29:19,091 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:19,092 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,092 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,092 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,093 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,093 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,093 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,093 - INFO - moving on ...
+2024-12-09 10:29:19,093 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:19,093 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,093 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,093 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,095 - INFO - number of orbitals:  31
+2024-12-09 10:29:19,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,095 - INFO - moving on ...
+2024-12-09 10:29:19,095 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:19,095 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,095 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,095 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,097 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,097 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,097 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,097 - INFO - moving on ...
+2024-12-09 10:29:19,097 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:19,097 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,097 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,097 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,099 - INFO - number of orbitals:  31
+2024-12-09 10:29:19,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,099 - INFO - moving on ...
+2024-12-09 10:29:19,099 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:19,099 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,099 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,100 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,101 - INFO - moving on ...
+2024-12-09 10:29:19,101 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:19,101 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,101 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,101 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,102 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,102 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,102 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:19,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:19,102 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:19,118 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,118 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,118 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:19,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,120 - INFO - number of orbitals:  39
+2024-12-09 10:29:19,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,120 - INFO - moving on ...
+2024-12-09 10:29:19,120 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:19,120 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:19,120 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:19,121 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,121 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:19,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,122 - INFO - number of orbitals:  42
+2024-12-09 10:29:19,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,122 - INFO - moving on ...
+2024-12-09 10:29:19,122 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:19,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,123 - INFO - number of orbitals:  90
+2024-12-09 10:29:19,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,123 - INFO - moving on ...
+2024-12-09 10:29:19,123 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:19,123 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:19,124 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:19,124 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,124 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:19,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,125 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,125 - INFO - moving on ...
+2024-12-09 10:29:19,125 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:19,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,126 - INFO - number of orbitals:  118
+2024-12-09 10:29:19,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,126 - INFO - moving on ...
+2024-12-09 10:29:19,126 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:19,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,128 - INFO - number of orbitals:  68
+2024-12-09 10:29:19,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,128 - INFO - moving on ...
+2024-12-09 10:29:19,128 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:19,128 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:19,128 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:19,128 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,128 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:19,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,129 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,129 - INFO - moving on ...
+2024-12-09 10:29:19,129 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:19,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,130 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,131 - INFO - moving on ...
+2024-12-09 10:29:19,131 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:19,131 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:19,131 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:19,131 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,131 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:19,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,132 - INFO - number of orbitals:  66
+2024-12-09 10:29:19,132 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,132 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,132 - INFO - moving on ...
+2024-12-09 10:29:19,132 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:19,133 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:19,133 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:19,133 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,133 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:19,133 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,133 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,133 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,134 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,135 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,135 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:19,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:19,135 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:19,150 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,150 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,150 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:19,150 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,151 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,151 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,152 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,152 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,153 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:19,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:19,153 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:19,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,169 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,169 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:19,169 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,169 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,169 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,171 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,171 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,171 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:19,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:19,171 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,187 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,187 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:19,187 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,190 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,190 - INFO - moving on ...
+2024-12-09 10:29:19,190 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:19,190 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,190 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,190 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,192 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,192 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,192 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:19,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:19,192 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:19,208 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,209 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,209 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:19,209 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,209 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,209 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,211 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,211 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,211 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:19,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:19,211 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:19,228 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,228 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,228 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:19,228 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,228 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,228 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,230 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,230 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,230 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:19,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:19,230 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:19,246 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,247 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,247 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:19,247 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,247 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,247 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,249 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,249 - INFO - moving on ...
+2024-12-09 10:29:19,249 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:19,249 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,249 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,249 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,251 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,251 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,251 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:19,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:19,251 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:19,267 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,267 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,267 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:19,267 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,267 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,268 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,269 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,269 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,269 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:19,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:19,270 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:19,285 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,285 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,285 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:19,285 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,285 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,285 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,287 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,287 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,287 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:19,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:19,287 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,303 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,303 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,303 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:19,303 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,303 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,303 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,305 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,305 - INFO - moving on ...
+2024-12-09 10:29:19,306 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:19,306 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:19,306 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:19,306 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,306 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:19,306 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,306 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,306 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,308 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,308 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,308 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:19,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:19,308 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:19,324 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,324 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,324 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:19,325 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,325 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,325 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,327 - INFO - number of orbitals:  108
+2024-12-09 10:29:19,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,327 - INFO - moving on ...
+2024-12-09 10:29:19,327 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:19,328 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:19,328 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:19,328 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,328 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:19,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,329 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,330 - INFO - moving on ...
+2024-12-09 10:29:19,330 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:19,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,332 - INFO - number of orbitals:  135
+2024-12-09 10:29:19,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,332 - INFO - moving on ...
+2024-12-09 10:29:19,332 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:19,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,334 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,334 - INFO - moving on ...
+2024-12-09 10:29:19,334 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:19,334 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:19,334 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:19,334 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,334 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:19,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,336 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,336 - INFO - moving on ...
+2024-12-09 10:29:19,336 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:19,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,338 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,338 - INFO - moving on ...
+2024-12-09 10:29:19,338 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:19,338 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:19,338 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:19,338 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,339 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:19,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,340 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,340 - INFO - moving on ...
+2024-12-09 10:29:19,340 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:19,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,342 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,342 - INFO - moving on ...
+2024-12-09 10:29:19,342 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:19,342 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:19,343 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:19,343 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,343 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:19,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,344 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,344 - INFO - moving on ...
+2024-12-09 10:29:19,344 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:19,344 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:19,344 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:19,344 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,344 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:19,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,345 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,346 - INFO - moving on ...
+2024-12-09 10:29:19,346 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:19,346 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:19,346 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:19,346 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,346 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:19,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,347 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,347 - INFO - moving on ...
+2024-12-09 10:29:19,347 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:19,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,349 - INFO - number of orbitals:  118
+2024-12-09 10:29:19,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,349 - INFO - moving on ...
+2024-12-09 10:29:19,349 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:19,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,351 - INFO - number of orbitals:  68
+2024-12-09 10:29:19,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,351 - INFO - moving on ...
+2024-12-09 10:29:19,351 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:19,351 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:19,351 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:19,351 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,351 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:19,351 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,352 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,352 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,353 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,353 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,354 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:19,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:19,354 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,369 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,370 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,370 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:19,370 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,370 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,370 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,372 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,372 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,372 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:19,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:19,372 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:19,387 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,388 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,388 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:19,388 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,388 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,388 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,390 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,390 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:19,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:19,390 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:19,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,407 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,407 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:19,407 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,407 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,407 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,409 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,409 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:19,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:19,409 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,425 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,426 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,426 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:19,426 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,426 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,426 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,428 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,428 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:19,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:19,428 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:19,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,444 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,445 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:19,445 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,446 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,447 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,447 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:19,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:19,447 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:19,462 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,462 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,462 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:19,462 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,462 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,462 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,464 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,464 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,464 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:19,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:19,464 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:19,480 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,480 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,480 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:19,480 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,480 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,480 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,482 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,482 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,483 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:19,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:19,483 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:19,498 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,499 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,499 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:19,499 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:19,499 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:19,499 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,499 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:19,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,500 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,500 - INFO - moving on ...
+2024-12-09 10:29:19,500 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:19,501 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:19,501 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:19,501 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,501 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:19,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,502 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,502 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:19,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:19,502 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:19,518 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,519 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,519 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:19,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:19,519 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,519 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:19,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,520 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,520 - INFO - moving on ...
+2024-12-09 10:29:19,520 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:19,521 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:19,521 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:19,521 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,521 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:19,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,522 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,522 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,522 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:19,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:19,522 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:19,538 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,539 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,539 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:19,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:19,539 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,539 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:19,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,540 - INFO - number of orbitals:  119
+2024-12-09 10:29:19,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,540 - INFO - moving on ...
+2024-12-09 10:29:19,540 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:19,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,542 - INFO - number of orbitals:  62
+2024-12-09 10:29:19,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,542 - INFO - moving on ...
+2024-12-09 10:29:19,542 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:19,542 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:19,542 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:19,542 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,542 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:19,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,543 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,543 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,543 - INFO - moving on ...
+2024-12-09 10:29:19,543 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:19,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,545 - INFO - number of orbitals:  135
+2024-12-09 10:29:19,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,545 - INFO - moving on ...
+2024-12-09 10:29:19,545 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:19,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,547 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,547 - INFO - moving on ...
+2024-12-09 10:29:19,547 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:19,547 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:19,547 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:19,547 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,547 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:19,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,549 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,549 - INFO - moving on ...
+2024-12-09 10:29:19,549 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:19,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,550 - INFO - number of orbitals:  118
+2024-12-09 10:29:19,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,550 - INFO - moving on ...
+2024-12-09 10:29:19,550 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:19,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,552 - INFO - number of orbitals:  68
+2024-12-09 10:29:19,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,552 - INFO - moving on ...
+2024-12-09 10:29:19,552 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:19,552 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:19,552 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:19,552 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,552 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:19,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,554 - INFO - number of orbitals:  38
+2024-12-09 10:29:19,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,554 - INFO - moving on ...
+2024-12-09 10:29:19,554 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:19,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,556 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,556 - INFO - moving on ...
+2024-12-09 10:29:19,556 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:19,556 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:19,556 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:19,556 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,556 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:19,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,558 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,558 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,558 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:19,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:19,558 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:19,574 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,574 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,575 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:19,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:19,575 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,575 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:19,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,576 - INFO - number of orbitals:  110
+2024-12-09 10:29:19,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,576 - INFO - moving on ...
+2024-12-09 10:29:19,576 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:19,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,577 - INFO - number of orbitals:  60
+2024-12-09 10:29:19,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,578 - INFO - moving on ...
+2024-12-09 10:29:19,578 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:19,578 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:19,578 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:19,578 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,578 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:19,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,579 - INFO - number of orbitals:  38
+2024-12-09 10:29:19,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,579 - INFO - moving on ...
+2024-12-09 10:29:19,579 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:19,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,580 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,580 - INFO - moving on ...
+2024-12-09 10:29:19,580 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:19,581 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:19,581 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:19,581 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,581 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:19,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,582 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,582 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:19,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:19,582 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:19,598 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,598 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,598 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:19,598 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:19,598 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:19,598 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,598 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:19,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,600 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,600 - INFO - moving on ...
+2024-12-09 10:29:19,600 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:19,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,601 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,601 - INFO - moving on ...
+2024-12-09 10:29:19,601 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:19,601 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:19,601 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:19,602 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,602 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:19,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,603 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,603 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,603 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:19,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:19,603 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:19,618 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,619 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,619 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:19,619 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:19,619 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:19,619 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,619 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:19,619 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,619 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,619 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,621 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,621 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,621 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:19,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:19,621 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:19,637 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,638 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,638 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:19,638 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,638 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,638 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,640 - INFO - number of orbitals:  46
+2024-12-09 10:29:19,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,640 - INFO - moving on ...
+2024-12-09 10:29:19,640 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:19,640 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,640 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,640 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,642 - INFO - number of orbitals:  46
+2024-12-09 10:29:19,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,642 - INFO - moving on ...
+2024-12-09 10:29:19,642 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:19,642 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,643 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,643 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,644 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,645 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,645 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:19,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:19,645 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:19,660 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,661 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,661 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:19,661 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:19,661 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:19,661 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,661 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:19,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,662 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,663 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,663 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:19,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:19,663 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:19,678 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,679 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,679 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:19,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:19,679 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,679 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:19,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,681 - INFO - number of orbitals:  85
+2024-12-09 10:29:19,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,681 - INFO - moving on ...
+2024-12-09 10:29:19,681 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:19,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,682 - INFO - number of orbitals:  44
+2024-12-09 10:29:19,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,682 - INFO - moving on ...
+2024-12-09 10:29:19,682 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:19,682 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:19,682 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:19,682 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,683 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:19,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,684 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,684 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,684 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:19,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:19,684 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,700 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,700 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,700 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:19,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:19,700 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,700 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:19,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,702 - INFO - number of orbitals:  110
+2024-12-09 10:29:19,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,702 - INFO - moving on ...
+2024-12-09 10:29:19,702 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:19,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,703 - INFO - number of orbitals:  60
+2024-12-09 10:29:19,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,704 - INFO - moving on ...
+2024-12-09 10:29:19,704 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:19,704 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:19,704 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:19,704 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,704 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:19,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,705 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,705 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:19,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:19,705 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:19,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,722 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,722 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:19,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:19,722 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,722 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:19,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,723 - INFO - number of orbitals:  85
+2024-12-09 10:29:19,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,724 - INFO - moving on ...
+2024-12-09 10:29:19,724 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:19,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,725 - INFO - number of orbitals:  44
+2024-12-09 10:29:19,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,725 - INFO - moving on ...
+2024-12-09 10:29:19,725 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:19,725 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:19,725 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:19,725 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,725 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:19,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,726 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,726 - INFO - moving on ...
+2024-12-09 10:29:19,726 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:19,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,728 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,728 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,728 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,728 - INFO - moving on ...
+2024-12-09 10:29:19,728 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:19,728 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:19,728 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:19,728 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,728 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:19,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,729 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,729 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:19,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:19,729 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:19,745 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,746 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,746 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:19,746 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:19,746 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:19,746 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,746 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:19,746 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,746 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,746 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,748 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,748 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,748 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:19,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:19,748 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:19,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,765 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,765 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:19,765 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,765 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,765 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,767 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,767 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,767 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:19,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:19,767 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:19,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,784 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,784 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:19,784 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,784 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,784 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,786 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,786 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,786 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:19,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:19,786 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:19,803 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,803 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,804 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:19,804 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,804 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,804 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,806 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,806 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,806 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:19,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:19,806 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:19,822 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,823 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,823 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:19,823 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,823 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,823 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,825 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,825 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,825 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:19,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:19,825 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:19,844 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,845 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,845 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:19,845 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,845 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,848 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,848 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,848 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:19,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:19,848 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:19,870 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,870 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,870 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:19,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,871 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,872 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,873 - INFO - moving on ...
+2024-12-09 10:29:19,873 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:19,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,875 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:19,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:19,875 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:19,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,891 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,891 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:19,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,894 - INFO - number of orbitals:  42
+2024-12-09 10:29:19,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,894 - INFO - moving on ...
+2024-12-09 10:29:19,894 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:19,894 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:19,894 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:19,894 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,894 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:19,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,895 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,895 - INFO - moving on ...
+2024-12-09 10:29:19,895 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:19,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,897 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,897 - INFO - moving on ...
+2024-12-09 10:29:19,897 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:19,897 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:19,897 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:19,897 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,897 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:19,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,899 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,899 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:19,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:19,899 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:19,922 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,922 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,922 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:19,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:19,923 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,923 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:19,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,925 - INFO - number of orbitals:  72
+2024-12-09 10:29:19,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,925 - INFO - moving on ...
+2024-12-09 10:29:19,925 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:19,925 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:19,925 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:19,925 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,925 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:19,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,927 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,927 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:19,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:19,927 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:19,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,951 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,951 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:19,951 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:19,951 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:19,951 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,951 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:19,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,953 - INFO - number of orbitals:  48
+2024-12-09 10:29:19,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,954 - INFO - moving on ...
+2024-12-09 10:29:19,954 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:19,954 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:19,954 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:19,954 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,954 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:19,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,956 - INFO - number of orbitals:  48
+2024-12-09 10:29:19,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,956 - INFO - moving on ...
+2024-12-09 10:29:19,956 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:19,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,958 - INFO - number of orbitals:  116
+2024-12-09 10:29:19,958 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,958 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,958 - INFO - moving on ...
+2024-12-09 10:29:19,958 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:19,958 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:19,958 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:19,958 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,958 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:19,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,960 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,960 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,960 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:19,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:19,960 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:19,983 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,983 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,983 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:19,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:19,984 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,984 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:19,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,986 - INFO - number of orbitals:  79
+2024-12-09 10:29:19,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,986 - INFO - moving on ...
+2024-12-09 10:29:19,986 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:19,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,988 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,988 - INFO - moving on ...
+2024-12-09 10:29:19,988 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:19,988 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:19,988 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:19,988 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,988 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:19,989 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,989 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,989 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,991 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,991 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,991 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:19,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:19,991 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,015 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,015 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,015 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:20,015 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,016 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,016 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,018 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,018 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,018 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:20,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:20,019 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:20,042 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,043 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,043 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:20,043 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,043 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,043 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,046 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,046 - INFO - moving on ...
+2024-12-09 10:29:20,046 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:20,047 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,047 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,047 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,049 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,050 - INFO - moving on ...
+2024-12-09 10:29:20,050 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:20,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,050 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,050 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,053 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,053 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:20,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:20,053 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:20,077 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,078 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,078 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:20,078 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,078 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,078 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,081 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,081 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,081 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:20,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:20,081 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:20,103 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,103 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,103 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:20,103 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,103 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,103 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,105 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,106 - INFO - moving on ...
+2024-12-09 10:29:20,106 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:20,106 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,106 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,106 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,107 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,108 - INFO - moving on ...
+2024-12-09 10:29:20,108 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:20,108 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,108 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,108 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,109 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,110 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,110 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:20,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:20,110 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:20,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,126 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,126 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:20,126 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,127 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,129 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,129 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:20,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:20,129 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:20,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,145 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,145 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:20,145 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,146 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,146 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,147 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,148 - INFO - moving on ...
+2024-12-09 10:29:20,148 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:20,148 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,148 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,148 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,150 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,150 - INFO - moving on ...
+2024-12-09 10:29:20,150 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:20,150 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:20,150 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:20,150 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,150 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:20,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,151 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,151 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:20,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:20,151 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:20,167 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,168 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,168 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:20,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:20,168 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,168 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:20,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,169 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,169 - INFO - moving on ...
+2024-12-09 10:29:20,169 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:20,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,171 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,171 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,171 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:20,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:20,171 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:20,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,187 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,187 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:20,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:20,188 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,188 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:20,188 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:20,188 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:20,188 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,188 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:20,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,189 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,190 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:20,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:20,190 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:20,206 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,206 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,206 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:20,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:20,207 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,207 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:20,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,208 - INFO - number of orbitals:  110
+2024-12-09 10:29:20,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,208 - INFO - moving on ...
+2024-12-09 10:29:20,208 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:20,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,209 - INFO - number of orbitals:  60
+2024-12-09 10:29:20,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,210 - INFO - moving on ...
+2024-12-09 10:29:20,210 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:20,210 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:20,210 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:20,210 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,210 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:20,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,211 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,211 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,211 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:20,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:20,211 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:20,228 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,228 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,228 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:20,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:20,228 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,228 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:20,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,230 - INFO - number of orbitals:  110
+2024-12-09 10:29:20,230 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,230 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,230 - INFO - moving on ...
+2024-12-09 10:29:20,230 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:20,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,231 - INFO - number of orbitals:  60
+2024-12-09 10:29:20,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,231 - INFO - moving on ...
+2024-12-09 10:29:20,231 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:20,232 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:20,232 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:20,232 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,232 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:20,232 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,232 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,232 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,233 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,234 - INFO - moving on ...
+2024-12-09 10:29:20,234 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:20,234 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,234 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,234 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,235 - INFO - number of orbitals:  53
+2024-12-09 10:29:20,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,236 - INFO - moving on ...
+2024-12-09 10:29:20,236 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:20,236 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,236 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,236 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,237 - INFO - number of orbitals:  58
+2024-12-09 10:29:20,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,238 - INFO - moving on ...
+2024-12-09 10:29:20,238 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:20,238 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,238 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,238 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,239 - INFO - number of orbitals:  44
+2024-12-09 10:29:20,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,240 - INFO - moving on ...
+2024-12-09 10:29:20,240 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:20,240 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,240 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,240 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,241 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,242 - INFO - moving on ...
+2024-12-09 10:29:20,242 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:20,242 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,242 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,242 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,243 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,243 - INFO - moving on ...
+2024-12-09 10:29:20,243 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:20,243 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,244 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,244 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,245 - INFO - number of orbitals:  44
+2024-12-09 10:29:20,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,245 - INFO - moving on ...
+2024-12-09 10:29:20,245 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:20,245 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,246 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,246 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,247 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,247 - INFO - moving on ...
+2024-12-09 10:29:20,247 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:20,247 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,247 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,247 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,249 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,249 - INFO - moving on ...
+2024-12-09 10:29:20,249 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:20,249 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:20,249 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:20,249 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,249 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:20,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,251 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,251 - INFO - moving on ...
+2024-12-09 10:29:20,251 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:20,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,252 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,252 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,252 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,252 - INFO - moving on ...
+2024-12-09 10:29:20,252 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:20,252 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:20,252 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:20,252 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,252 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:20,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,253 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,254 - INFO - moving on ...
+2024-12-09 10:29:20,254 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:20,254 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:20,254 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:20,254 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,254 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:20,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,255 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,255 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:20,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:20,255 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:20,273 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,273 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,273 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:20,274 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:20,274 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:20,274 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,274 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:20,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,275 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,275 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,275 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:20,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:20,275 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:20,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,291 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,291 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:20,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:20,291 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,291 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:20,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,292 - INFO - number of orbitals:  74
+2024-12-09 10:29:20,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,293 - INFO - moving on ...
+2024-12-09 10:29:20,293 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:20,293 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:20,293 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:20,293 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,293 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:20,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,294 - INFO - number of orbitals:  38
+2024-12-09 10:29:20,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,294 - INFO - moving on ...
+2024-12-09 10:29:20,294 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:20,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,295 - INFO - number of orbitals:  90
+2024-12-09 10:29:20,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,296 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,296 - INFO - moving on ...
+2024-12-09 10:29:20,296 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:20,296 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:20,296 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:20,296 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,296 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:20,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,297 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,297 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,297 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,297 - INFO - moving on ...
+2024-12-09 10:29:20,297 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:20,297 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:20,297 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:20,297 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,297 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:20,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,299 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,299 - INFO - moving on ...
+2024-12-09 10:29:20,299 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:20,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,300 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,300 - INFO - moving on ...
+2024-12-09 10:29:20,300 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:20,300 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:20,300 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:20,300 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,300 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:20,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,301 - INFO - number of orbitals:  47
+2024-12-09 10:29:20,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,302 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,302 - INFO - moving on ...
+2024-12-09 10:29:20,302 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:20,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,303 - INFO - number of orbitals:  106
+2024-12-09 10:29:20,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,303 - INFO - moving on ...
+2024-12-09 10:29:20,303 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:20,303 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:20,303 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:20,303 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,303 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:20,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,304 - INFO - number of orbitals:  36
+2024-12-09 10:29:20,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,304 - INFO - moving on ...
+2024-12-09 10:29:20,304 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:20,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,306 - INFO - number of orbitals:  118
+2024-12-09 10:29:20,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,306 - INFO - moving on ...
+2024-12-09 10:29:20,306 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:20,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,307 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,307 - INFO - moving on ...
+2024-12-09 10:29:20,307 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:20,307 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:20,307 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:20,307 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,307 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:20,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,308 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,308 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,308 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:20,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:20,308 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:20,323 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,323 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,323 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:20,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:20,323 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,323 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:20,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,325 - INFO - number of orbitals:  114
+2024-12-09 10:29:20,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,325 - INFO - moving on ...
+2024-12-09 10:29:20,325 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:20,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,326 - INFO - number of orbitals:  64
+2024-12-09 10:29:20,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,326 - INFO - moving on ...
+2024-12-09 10:29:20,326 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:20,326 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:20,327 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:20,327 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,327 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:20,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,328 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,328 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,328 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:20,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:20,328 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:20,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,344 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,344 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:20,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:20,344 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,344 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:20,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,346 - INFO - number of orbitals:  115
+2024-12-09 10:29:20,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,346 - INFO - moving on ...
+2024-12-09 10:29:20,346 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:20,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,347 - INFO - number of orbitals:  58
+2024-12-09 10:29:20,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,347 - INFO - moving on ...
+2024-12-09 10:29:20,347 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:20,347 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:20,348 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:20,348 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,348 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:20,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,349 - INFO - number of orbitals:  37
+2024-12-09 10:29:20,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,349 - INFO - moving on ...
+2024-12-09 10:29:20,349 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:20,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,350 - INFO - number of orbitals:  78
+2024-12-09 10:29:20,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,350 - INFO - moving on ...
+2024-12-09 10:29:20,350 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:20,350 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:20,351 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:20,351 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,351 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:20,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,352 - INFO - number of orbitals:  58
+2024-12-09 10:29:20,352 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,352 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,352 - INFO - moving on ...
+2024-12-09 10:29:20,352 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:20,352 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:20,352 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:20,352 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,352 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:20,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,353 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,354 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,354 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:20,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:20,354 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:20,369 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,369 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,369 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:20,370 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:20,370 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:20,370 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,370 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:20,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,371 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,371 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,371 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:20,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:20,371 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:20,387 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,387 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,387 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:20,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:20,387 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,387 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:20,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,389 - INFO - number of orbitals:  86
+2024-12-09 10:29:20,389 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,389 - INFO - moving on ...
+2024-12-09 10:29:20,389 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:20,389 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:20,389 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:20,389 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,389 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:20,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,390 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,390 - INFO - moving on ...
+2024-12-09 10:29:20,390 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:20,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,392 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,392 - INFO - moving on ...
+2024-12-09 10:29:20,392 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:20,392 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:20,392 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:20,392 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,392 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:20,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,393 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,393 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,393 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:20,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:20,393 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:20,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,409 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,409 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:20,410 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:20,410 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:20,410 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,410 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:20,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,411 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,411 - INFO - moving on ...
+2024-12-09 10:29:20,411 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:20,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,412 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,413 - INFO - moving on ...
+2024-12-09 10:29:20,413 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:20,413 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:20,413 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:20,413 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,413 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:20,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,414 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,414 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,414 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,414 - INFO - moving on ...
+2024-12-09 10:29:20,414 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:20,414 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:20,414 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:20,414 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,414 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:20,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,416 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,416 - INFO - moving on ...
+2024-12-09 10:29:20,416 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:20,416 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:20,416 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:20,416 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,416 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:20,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,417 - INFO - number of orbitals:  48
+2024-12-09 10:29:20,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,417 - INFO - moving on ...
+2024-12-09 10:29:20,417 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:20,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,419 - INFO - number of orbitals:  116
+2024-12-09 10:29:20,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,419 - INFO - moving on ...
+2024-12-09 10:29:20,419 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:20,419 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:20,419 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:20,419 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,419 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:20,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,420 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,420 - INFO - moving on ...
+2024-12-09 10:29:20,420 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:20,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,421 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,422 - INFO - moving on ...
+2024-12-09 10:29:20,422 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:20,422 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:20,422 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:20,422 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,422 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:20,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,423 - INFO - number of orbitals:  38
+2024-12-09 10:29:20,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,423 - INFO - moving on ...
+2024-12-09 10:29:20,423 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:20,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,424 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,424 - INFO - moving on ...
+2024-12-09 10:29:20,425 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:20,425 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:20,425 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:20,425 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,425 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:20,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,426 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,426 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,426 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:20,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:20,426 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:20,443 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,443 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,443 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:20,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:20,443 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,443 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:20,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,445 - INFO - number of orbitals:  110
+2024-12-09 10:29:20,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,445 - INFO - moving on ...
+2024-12-09 10:29:20,445 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:20,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,446 - INFO - number of orbitals:  60
+2024-12-09 10:29:20,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,446 - INFO - moving on ...
+2024-12-09 10:29:20,446 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:20,447 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:20,447 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:20,447 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,447 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:20,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,448 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,448 - INFO - moving on ...
+2024-12-09 10:29:20,448 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:20,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,449 - INFO - number of orbitals:  135
+2024-12-09 10:29:20,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,449 - INFO - moving on ...
+2024-12-09 10:29:20,449 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:20,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,450 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,451 - INFO - moving on ...
+2024-12-09 10:29:20,451 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:20,451 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:20,451 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:20,451 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,451 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:20,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,452 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,452 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,452 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:20,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:20,452 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:20,467 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,467 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,467 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:20,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:20,468 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,468 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:20,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,469 - INFO - number of orbitals:  119
+2024-12-09 10:29:20,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,469 - INFO - moving on ...
+2024-12-09 10:29:20,469 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:20,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,470 - INFO - number of orbitals:  62
+2024-12-09 10:29:20,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,470 - INFO - moving on ...
+2024-12-09 10:29:20,470 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:20,471 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:20,471 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:20,471 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,471 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:20,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,472 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,472 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,472 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:20,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:20,472 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:20,487 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,488 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,488 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:20,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:20,488 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,488 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:20,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,489 - INFO - number of orbitals:  64
+2024-12-09 10:29:20,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,489 - INFO - moving on ...
+2024-12-09 10:29:20,489 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:20,490 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:20,490 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:20,490 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,490 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:20,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,491 - INFO - number of orbitals:  52
+2024-12-09 10:29:20,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,491 - INFO - moving on ...
+2024-12-09 10:29:20,491 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:20,491 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:20,491 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:20,491 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,491 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:20,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,493 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,493 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,493 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:20,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:20,493 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:20,509 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,509 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,509 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:20,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:20,509 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,509 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:20,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,511 - INFO - number of orbitals:  89
+2024-12-09 10:29:20,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,511 - INFO - moving on ...
+2024-12-09 10:29:20,511 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:20,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,512 - INFO - number of orbitals:  48
+2024-12-09 10:29:20,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,512 - INFO - moving on ...
+2024-12-09 10:29:20,512 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:20,512 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:20,512 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:20,512 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,513 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:20,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,514 - INFO - number of orbitals:  46
+2024-12-09 10:29:20,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,514 - INFO - moving on ...
+2024-12-09 10:29:20,514 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:20,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,515 - INFO - number of orbitals:  94
+2024-12-09 10:29:20,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,515 - INFO - moving on ...
+2024-12-09 10:29:20,515 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:20,515 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:20,515 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:20,515 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,515 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:20,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,517 - INFO - number of orbitals:  70
+2024-12-09 10:29:20,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,517 - INFO - moving on ...
+2024-12-09 10:29:20,517 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:20,517 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:20,517 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:20,517 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,517 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:20,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,518 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,518 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,518 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:20,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:20,519 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:20,536 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,536 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,536 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:20,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:20,536 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,536 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:20,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,538 - INFO - number of orbitals:  79
+2024-12-09 10:29:20,538 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,538 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,538 - INFO - moving on ...
+2024-12-09 10:29:20,538 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:20,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,539 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,540 - INFO - moving on ...
+2024-12-09 10:29:20,540 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:20,540 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:20,540 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:20,540 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,540 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:20,540 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,540 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,540 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,542 - INFO - number of orbitals:  42
+2024-12-09 10:29:20,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,542 - INFO - moving on ...
+2024-12-09 10:29:20,542 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:20,542 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,543 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,543 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,545 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,545 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:20,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:20,545 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:20,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,562 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,562 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:20,562 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,562 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,562 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,564 - INFO - number of orbitals:  90
+2024-12-09 10:29:20,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,564 - INFO - moving on ...
+2024-12-09 10:29:20,564 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:20,564 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,565 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,565 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,566 - INFO - number of orbitals:  42
+2024-12-09 10:29:20,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,567 - INFO - moving on ...
+2024-12-09 10:29:20,567 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:20,567 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,567 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,567 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,569 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,569 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,569 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:20,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:20,569 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:20,585 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,586 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,586 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:20,586 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,586 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,586 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,588 - INFO - number of orbitals:  90
+2024-12-09 10:29:20,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,588 - INFO - moving on ...
+2024-12-09 10:29:20,588 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:20,589 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:20,589 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:20,589 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,589 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:20,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,590 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,590 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:20,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:20,590 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:20,606 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,606 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,606 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:20,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:20,606 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,606 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:20,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,608 - INFO - number of orbitals:  115
+2024-12-09 10:29:20,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,608 - INFO - moving on ...
+2024-12-09 10:29:20,608 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:20,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,609 - INFO - number of orbitals:  58
+2024-12-09 10:29:20,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,609 - INFO - moving on ...
+2024-12-09 10:29:20,609 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:20,609 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:20,609 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:20,609 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,609 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:20,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,610 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,611 - INFO - moving on ...
+2024-12-09 10:29:20,611 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:20,611 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:20,611 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:20,611 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,611 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:20,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,612 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:20,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:20,612 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:20,629 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,630 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,630 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:20,630 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:20,630 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:20,630 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,630 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:20,630 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,630 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,630 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,632 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,632 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,632 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:20,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:20,633 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:20,650 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,650 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,650 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:20,650 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,651 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,651 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,653 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,653 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,653 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:20,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:20,653 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:20,670 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,671 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,671 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:20,671 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,671 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,671 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,673 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,674 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,674 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:20,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:20,674 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,690 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,690 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,691 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:20,691 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,691 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,691 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,693 - INFO - number of orbitals:  36
+2024-12-09 10:29:20,693 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,693 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,693 - INFO - moving on ...
+2024-12-09 10:29:20,693 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:20,693 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,693 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,693 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,695 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,695 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,695 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:20,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:20,695 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:20,711 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,712 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,712 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:20,712 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,712 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,712 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,714 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,714 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,714 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:20,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:20,714 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,731 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,732 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,732 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:20,732 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:20,732 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:20,732 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,732 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:20,732 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,732 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,732 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,735 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,735 - INFO - moving on ...
+2024-12-09 10:29:20,735 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:20,735 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,735 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,737 - INFO - number of orbitals:  70
+2024-12-09 10:29:20,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,737 - INFO - moving on ...
+2024-12-09 10:29:20,737 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:20,737 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,737 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,737 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,739 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,739 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,739 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,739 - INFO - moving on ...
+2024-12-09 10:29:20,739 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:20,739 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:20,739 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:20,739 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,739 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:20,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,741 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,741 - INFO - moving on ...
+2024-12-09 10:29:20,741 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:20,741 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:20,742 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:20,742 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,742 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:20,742 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,742 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,742 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,743 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,744 - INFO - moving on ...
+2024-12-09 10:29:20,744 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:20,744 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,744 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,744 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,746 - INFO - number of orbitals:  70
+2024-12-09 10:29:20,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,746 - INFO - moving on ...
+2024-12-09 10:29:20,746 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:20,746 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,746 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,746 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,748 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,748 - INFO - moving on ...
+2024-12-09 10:29:20,748 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:20,748 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,748 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,748 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,750 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,750 - INFO - moving on ...
+2024-12-09 10:29:20,750 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:20,750 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,750 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,750 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,752 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,752 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,752 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:20,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:20,752 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:20,769 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,769 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,769 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:20,769 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,769 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,769 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,771 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,771 - INFO - moving on ...
+2024-12-09 10:29:20,771 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:20,772 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,772 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,772 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,773 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,773 - INFO - moving on ...
+2024-12-09 10:29:20,774 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:20,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,774 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,774 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,775 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,776 - INFO - moving on ...
+2024-12-09 10:29:20,776 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:20,776 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,776 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,776 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,777 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,777 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:20,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:20,778 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:20,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,794 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,795 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:20,795 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,795 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,797 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,797 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,797 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,797 - INFO - moving on ...
+2024-12-09 10:29:20,797 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:20,797 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,797 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,797 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,799 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,799 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,799 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:20,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:20,799 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:20,815 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,816 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,816 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:20,816 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,816 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,816 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,818 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,818 - INFO - moving on ...
+2024-12-09 10:29:20,818 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:20,818 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,818 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,818 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,820 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,820 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,820 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:20,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:20,820 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:20,837 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,837 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,837 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:20,837 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,837 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,837 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,839 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,839 - INFO - moving on ...
+2024-12-09 10:29:20,839 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:20,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,840 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,840 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,841 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,841 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:20,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:20,841 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:20,858 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,858 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,858 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:20,858 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,858 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,858 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,860 - INFO - number of orbitals:  39
+2024-12-09 10:29:20,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,860 - INFO - moving on ...
+2024-12-09 10:29:20,860 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:20,861 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:20,861 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:20,861 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,861 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:20,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,862 - INFO - number of orbitals:  42
+2024-12-09 10:29:20,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,862 - INFO - moving on ...
+2024-12-09 10:29:20,862 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:20,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,863 - INFO - number of orbitals:  90
+2024-12-09 10:29:20,863 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,863 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,863 - INFO - moving on ...
+2024-12-09 10:29:20,863 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:20,864 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:20,864 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:20,864 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,864 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:20,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,865 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,865 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,865 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:20,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:20,865 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:20,880 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,881 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,881 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:20,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:20,881 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,881 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:20,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,882 - INFO - number of orbitals:  118
+2024-12-09 10:29:20,882 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,882 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,882 - INFO - moving on ...
+2024-12-09 10:29:20,883 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:20,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,884 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,884 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,884 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,884 - INFO - moving on ...
+2024-12-09 10:29:20,884 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:20,884 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:20,884 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:20,884 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,884 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:20,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,885 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,885 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,885 - INFO - moving on ...
+2024-12-09 10:29:20,885 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:20,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,887 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,887 - INFO - moving on ...
+2024-12-09 10:29:20,887 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:20,887 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:20,887 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:20,887 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,887 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:20,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,888 - INFO - number of orbitals:  66
+2024-12-09 10:29:20,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,888 - INFO - moving on ...
+2024-12-09 10:29:20,888 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:20,889 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:20,889 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:20,889 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,889 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:20,889 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,889 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,889 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,891 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,891 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,891 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:20,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:20,891 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:20,908 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,908 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,908 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:20,908 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,908 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,908 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,910 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,910 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,910 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:20,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:20,910 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:20,926 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,927 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,927 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:20,927 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,927 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,927 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,929 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,929 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,929 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:20,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:20,929 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,945 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,946 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,946 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:20,946 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,946 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,946 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,948 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,948 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,948 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:20,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:20,948 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,963 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,964 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,964 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:20,964 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,964 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,964 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,966 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,966 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,966 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:20,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:20,966 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:20,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,982 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,982 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:20,982 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,982 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,982 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,984 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,984 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:20,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:20,984 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:21,000 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,001 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,001 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:21,001 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,001 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,001 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,003 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,003 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,003 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:21,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:21,003 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:21,019 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,020 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,020 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:21,020 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,020 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,020 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,022 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,022 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,022 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:21,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:21,022 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:21,038 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,038 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,038 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:21,038 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,039 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,039 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,040 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,041 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,041 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:21,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:21,041 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:21,057 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,058 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,058 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:21,058 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,058 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,058 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,060 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,060 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:21,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:21,060 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:21,076 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,077 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,077 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:21,077 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,077 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,077 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,079 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,079 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:21,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:21,079 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,096 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,096 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:21,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,098 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:21,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:21,098 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:21,114 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,115 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,115 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:21,115 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:21,115 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:21,115 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,115 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:21,115 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,115 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,115 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,117 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,118 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,118 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:21,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:21,118 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:21,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,136 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,136 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:21,136 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,136 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,136 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,138 - INFO - number of orbitals:  108
+2024-12-09 10:29:21,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,138 - INFO - moving on ...
+2024-12-09 10:29:21,138 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:21,138 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:21,138 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:21,138 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,138 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:21,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,140 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,140 - INFO - moving on ...
+2024-12-09 10:29:21,140 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:21,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,141 - INFO - number of orbitals:  135
+2024-12-09 10:29:21,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,141 - INFO - moving on ...
+2024-12-09 10:29:21,141 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:21,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,142 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,143 - INFO - moving on ...
+2024-12-09 10:29:21,143 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:21,143 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:21,143 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:21,143 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,143 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:21,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,144 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,144 - INFO - moving on ...
+2024-12-09 10:29:21,144 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:21,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,145 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,146 - INFO - moving on ...
+2024-12-09 10:29:21,146 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:21,146 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:21,146 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:21,146 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,146 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:21,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,147 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,147 - INFO - moving on ...
+2024-12-09 10:29:21,147 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:21,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,148 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,149 - INFO - moving on ...
+2024-12-09 10:29:21,149 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:21,149 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:21,149 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:21,149 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,149 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:21,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,150 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,150 - INFO - moving on ...
+2024-12-09 10:29:21,150 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:21,150 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:21,150 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:21,150 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,150 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:21,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,152 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,152 - INFO - moving on ...
+2024-12-09 10:29:21,152 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:21,152 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:21,152 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:21,152 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,152 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:21,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,153 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,153 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,153 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:21,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:21,153 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:21,170 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,171 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,171 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:21,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:21,171 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,171 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:21,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,172 - INFO - number of orbitals:  118
+2024-12-09 10:29:21,173 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,173 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,173 - INFO - moving on ...
+2024-12-09 10:29:21,173 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:21,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,174 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,174 - INFO - moving on ...
+2024-12-09 10:29:21,174 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:21,174 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:21,174 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:21,174 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,174 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:21,174 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,175 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,175 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,176 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,176 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,176 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:21,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:21,176 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,193 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,193 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:21,193 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,193 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,193 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,195 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,195 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,195 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:21,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:21,196 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:21,212 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,212 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,213 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:21,213 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,213 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,213 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,215 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,215 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,215 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:21,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:21,215 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:21,231 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,231 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,232 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:21,232 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,232 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,232 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,234 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,234 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,234 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:21,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:21,234 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,250 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,251 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,251 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:21,251 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,251 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,251 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,253 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,253 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,253 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:21,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:21,253 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:21,270 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,270 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,270 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:21,270 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,271 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,271 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,273 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,273 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:21,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:21,273 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:21,289 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,289 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,290 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:21,290 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,290 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,290 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,292 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,292 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:21,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:21,292 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:21,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,309 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,309 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:21,309 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,309 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,309 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,311 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,311 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:21,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:21,311 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:21,327 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,328 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,328 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:21,328 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:21,328 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:21,328 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,328 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:21,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,330 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,330 - INFO - moving on ...
+2024-12-09 10:29:21,330 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:21,330 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:21,330 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:21,330 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,330 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:21,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,332 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,332 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:21,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:21,332 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:21,347 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,348 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,348 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:21,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:21,348 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,348 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:21,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,349 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,349 - INFO - moving on ...
+2024-12-09 10:29:21,350 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:21,350 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:21,350 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:21,350 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,350 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:21,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,351 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,351 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,351 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:21,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:21,351 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:21,368 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,369 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,369 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:21,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:21,369 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,369 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:21,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,370 - INFO - number of orbitals:  119
+2024-12-09 10:29:21,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,370 - INFO - moving on ...
+2024-12-09 10:29:21,371 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:21,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,372 - INFO - number of orbitals:  62
+2024-12-09 10:29:21,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,372 - INFO - moving on ...
+2024-12-09 10:29:21,372 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:21,372 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:21,372 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:21,372 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,372 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:21,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,373 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,374 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,374 - INFO - moving on ...
+2024-12-09 10:29:21,374 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:21,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,375 - INFO - number of orbitals:  135
+2024-12-09 10:29:21,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,375 - INFO - moving on ...
+2024-12-09 10:29:21,375 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:21,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,376 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,376 - INFO - moving on ...
+2024-12-09 10:29:21,376 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:21,376 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:21,376 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:21,376 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,377 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:21,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,378 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,378 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,378 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:21,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:21,378 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:21,395 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,395 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,395 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:21,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:21,395 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,395 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:21,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,397 - INFO - number of orbitals:  118
+2024-12-09 10:29:21,397 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,397 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,397 - INFO - moving on ...
+2024-12-09 10:29:21,397 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:21,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,398 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,398 - INFO - moving on ...
+2024-12-09 10:29:21,398 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:21,398 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:21,399 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:21,399 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,399 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:21,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,400 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,400 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,400 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:21,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:21,400 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:21,417 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,417 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,417 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:21,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:21,417 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,417 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:21,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,419 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,419 - INFO - moving on ...
+2024-12-09 10:29:21,419 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:21,419 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:21,419 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:21,419 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,419 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:21,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,421 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,421 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,421 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:21,421 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:21,421 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:21,438 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,438 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,438 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:21,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:21,438 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,438 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:21,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,440 - INFO - number of orbitals:  110
+2024-12-09 10:29:21,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,440 - INFO - moving on ...
+2024-12-09 10:29:21,440 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:21,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,441 - INFO - number of orbitals:  60
+2024-12-09 10:29:21,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,441 - INFO - moving on ...
+2024-12-09 10:29:21,441 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:21,441 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:21,441 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:21,441 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,442 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:21,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,443 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,443 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,443 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:21,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:21,443 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:21,459 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,460 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,460 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:21,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:21,460 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,460 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:21,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,461 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,461 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,461 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,461 - INFO - moving on ...
+2024-12-09 10:29:21,461 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:21,462 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:21,462 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:21,462 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,462 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:21,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,463 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,463 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,463 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:21,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:21,463 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:21,479 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,479 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,479 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:21,479 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:21,479 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:21,479 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,479 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:21,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,481 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,481 - INFO - moving on ...
+2024-12-09 10:29:21,481 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:21,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,482 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,482 - INFO - moving on ...
+2024-12-09 10:29:21,482 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:21,482 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:21,482 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:21,483 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,483 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:21,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,484 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,484 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,484 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:21,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:21,484 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:21,500 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,501 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,501 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:21,501 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:21,501 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:21,501 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,501 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:21,501 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,501 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,501 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,503 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,503 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,503 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:21,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:21,503 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:21,519 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,520 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,520 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:21,520 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,520 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,520 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,522 - INFO - number of orbitals:  46
+2024-12-09 10:29:21,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,522 - INFO - moving on ...
+2024-12-09 10:29:21,522 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:21,522 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,523 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,523 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,525 - INFO - number of orbitals:  46
+2024-12-09 10:29:21,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,525 - INFO - moving on ...
+2024-12-09 10:29:21,525 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:21,525 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,525 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,525 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,527 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,527 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,527 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:21,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:21,527 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:21,544 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,544 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,544 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:21,544 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:21,544 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:21,544 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,544 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:21,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,546 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,546 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:21,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:21,546 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:21,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,562 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,562 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:21,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:21,562 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,562 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:21,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,564 - INFO - number of orbitals:  85
+2024-12-09 10:29:21,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,564 - INFO - moving on ...
+2024-12-09 10:29:21,564 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:21,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,565 - INFO - number of orbitals:  44
+2024-12-09 10:29:21,565 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,565 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,565 - INFO - moving on ...
+2024-12-09 10:29:21,565 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:21,566 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:21,566 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:21,566 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,566 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:21,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,567 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,567 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,567 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:21,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:21,567 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,584 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,584 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,584 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:21,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:21,584 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,584 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:21,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,586 - INFO - number of orbitals:  110
+2024-12-09 10:29:21,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,586 - INFO - moving on ...
+2024-12-09 10:29:21,586 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:21,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,587 - INFO - number of orbitals:  60
+2024-12-09 10:29:21,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,587 - INFO - moving on ...
+2024-12-09 10:29:21,587 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:21,587 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:21,587 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:21,587 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,587 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:21,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,589 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,589 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,589 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:21,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:21,589 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:21,605 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,605 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,605 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:21,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:21,605 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,605 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:21,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,607 - INFO - number of orbitals:  85
+2024-12-09 10:29:21,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,607 - INFO - moving on ...
+2024-12-09 10:29:21,607 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:21,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,608 - INFO - number of orbitals:  44
+2024-12-09 10:29:21,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,608 - INFO - moving on ...
+2024-12-09 10:29:21,608 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:21,608 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:21,608 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:21,608 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,608 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:21,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,610 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,610 - INFO - moving on ...
+2024-12-09 10:29:21,610 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:21,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,611 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,611 - INFO - moving on ...
+2024-12-09 10:29:21,611 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:21,611 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:21,611 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:21,611 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,611 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:21,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,612 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:21,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:21,613 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:21,628 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,629 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,629 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:21,629 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:21,629 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:21,629 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,629 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:21,629 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,629 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,630 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,631 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,631 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,631 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:21,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:21,632 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:21,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,650 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,650 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:21,650 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,650 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,650 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,652 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,652 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,652 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:21,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:21,652 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:21,669 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,670 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,670 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:21,670 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,670 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,670 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,672 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,672 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,672 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:21,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:21,672 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:21,688 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,689 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,689 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:21,689 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,689 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,689 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,691 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,691 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,691 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:21,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:21,691 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:21,707 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,708 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,708 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:21,708 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,708 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,708 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,710 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,710 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,710 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:21,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:21,710 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:21,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,727 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,727 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:21,727 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,727 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,727 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,729 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,729 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:21,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:21,729 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:21,746 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,746 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,746 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:21,746 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,746 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,746 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,748 - INFO - number of orbitals:  45
+2024-12-09 10:29:21,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,748 - INFO - moving on ...
+2024-12-09 10:29:21,748 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:21,748 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,749 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,749 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,750 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,750 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,750 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:21,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:21,750 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:21,766 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,766 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,767 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:21,767 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,767 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,767 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,769 - INFO - number of orbitals:  42
+2024-12-09 10:29:21,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,769 - INFO - moving on ...
+2024-12-09 10:29:21,769 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:21,769 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:21,769 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:21,769 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,769 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:21,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,770 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,770 - INFO - moving on ...
+2024-12-09 10:29:21,770 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:21,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,772 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,772 - INFO - moving on ...
+2024-12-09 10:29:21,772 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:21,772 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:21,772 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:21,772 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,772 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:21,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,773 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,773 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,773 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:21,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:21,773 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:21,791 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,792 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,792 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:21,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:21,792 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,792 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:21,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,793 - INFO - number of orbitals:  72
+2024-12-09 10:29:21,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,793 - INFO - moving on ...
+2024-12-09 10:29:21,793 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:21,794 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:21,794 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:21,794 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,794 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:21,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,795 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,795 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,795 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:21,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:21,795 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:21,811 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,812 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,812 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:21,812 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:21,812 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:21,812 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,812 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:21,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,814 - INFO - number of orbitals:  48
+2024-12-09 10:29:21,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,814 - INFO - moving on ...
+2024-12-09 10:29:21,814 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:21,814 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:21,814 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:21,814 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,814 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:21,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,815 - INFO - number of orbitals:  48
+2024-12-09 10:29:21,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,816 - INFO - moving on ...
+2024-12-09 10:29:21,816 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:21,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,817 - INFO - number of orbitals:  116
+2024-12-09 10:29:21,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,817 - INFO - moving on ...
+2024-12-09 10:29:21,817 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:21,817 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:21,817 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:21,817 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,817 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:21,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,818 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,818 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,818 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:21,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:21,818 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:21,835 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,835 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,835 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:21,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:21,835 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,835 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:21,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,837 - INFO - number of orbitals:  79
+2024-12-09 10:29:21,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,837 - INFO - moving on ...
+2024-12-09 10:29:21,837 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:21,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,838 - INFO - number of orbitals:  45
+2024-12-09 10:29:21,838 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,838 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,838 - INFO - moving on ...
+2024-12-09 10:29:21,838 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:21,838 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:21,838 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:21,839 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,839 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:21,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,839 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,839 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,840 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,840 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,840 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:21,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:21,841 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,856 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,857 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,857 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:21,857 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,857 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,857 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,859 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,859 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,859 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:21,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:21,859 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:21,875 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,875 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,875 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:21,876 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,876 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,876 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,878 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,878 - INFO - moving on ...
+2024-12-09 10:29:21,878 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:21,878 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,878 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,878 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,879 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,880 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,880 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,880 - INFO - moving on ...
+2024-12-09 10:29:21,880 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:21,880 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,880 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,880 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,881 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,881 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,881 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:21,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:21,882 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:21,898 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,898 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,898 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:21,898 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,899 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,899 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,901 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,901 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,901 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:21,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:21,901 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:21,917 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,917 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,917 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:21,917 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,917 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,917 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,919 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,919 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,919 - INFO - moving on ...
+2024-12-09 10:29:21,919 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:21,919 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,919 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,919 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,921 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,921 - INFO - moving on ...
+2024-12-09 10:29:21,921 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:21,921 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,922 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,922 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,923 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,923 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,923 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:21,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:21,923 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:21,939 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,940 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,940 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:21,940 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,940 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,940 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,942 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,942 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,942 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:21,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:21,942 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:21,958 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,959 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,959 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:21,959 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,959 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,959 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,961 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,961 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,961 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,961 - INFO - moving on ...
+2024-12-09 10:29:21,961 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:21,961 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,961 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,961 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,963 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,963 - INFO - moving on ...
+2024-12-09 10:29:21,963 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:21,964 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:21,964 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:21,964 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,964 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:21,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,965 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,965 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:21,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:21,965 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:21,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,981 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,981 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:21,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:21,981 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,982 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:21,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,983 - INFO - number of orbitals:  55
+2024-12-09 10:29:21,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,983 - INFO - moving on ...
+2024-12-09 10:29:21,983 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:21,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,985 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,985 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,985 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:21,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:21,985 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:22,001 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,002 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,002 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:22,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:22,002 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,002 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:22,002 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:22,002 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:22,002 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,002 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:22,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,004 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,004 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,004 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:22,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:22,004 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:22,021 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,021 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,022 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:22,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:22,022 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,022 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:22,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,023 - INFO - number of orbitals:  110
+2024-12-09 10:29:22,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,024 - INFO - moving on ...
+2024-12-09 10:29:22,024 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:22,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,025 - INFO - number of orbitals:  60
+2024-12-09 10:29:22,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,025 - INFO - moving on ...
+2024-12-09 10:29:22,025 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:22,025 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:22,025 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:22,025 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,025 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:22,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,027 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,027 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:22,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:22,027 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:22,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,044 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,044 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:22,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:22,044 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,044 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:22,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,045 - INFO - number of orbitals:  110
+2024-12-09 10:29:22,045 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,046 - INFO - moving on ...
+2024-12-09 10:29:22,046 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:22,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,047 - INFO - number of orbitals:  60
+2024-12-09 10:29:22,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,047 - INFO - moving on ...
+2024-12-09 10:29:22,047 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:22,047 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:22,047 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:22,047 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,047 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:22,047 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,048 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,048 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,049 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,049 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,049 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,049 - INFO - moving on ...
+2024-12-09 10:29:22,050 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:22,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,050 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,050 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,051 - INFO - number of orbitals:  53
+2024-12-09 10:29:22,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,051 - INFO - moving on ...
+2024-12-09 10:29:22,052 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:22,052 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,052 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,052 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,053 - INFO - number of orbitals:  58
+2024-12-09 10:29:22,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,053 - INFO - moving on ...
+2024-12-09 10:29:22,053 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:22,054 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,054 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,054 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,055 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,055 - INFO - number of orbitals:  44
+2024-12-09 10:29:22,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,056 - INFO - moving on ...
+2024-12-09 10:29:22,056 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:22,056 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,056 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,056 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,058 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,058 - INFO - moving on ...
+2024-12-09 10:29:22,058 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:22,058 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,058 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,058 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,060 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,060 - INFO - moving on ...
+2024-12-09 10:29:22,060 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:22,060 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,060 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,060 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,062 - INFO - number of orbitals:  44
+2024-12-09 10:29:22,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,062 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,062 - INFO - moving on ...
+2024-12-09 10:29:22,062 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:22,062 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,062 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,062 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,064 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,064 - INFO - moving on ...
+2024-12-09 10:29:22,064 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:22,064 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,066 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,066 - INFO - moving on ...
+2024-12-09 10:29:22,066 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:22,066 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:22,066 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:22,066 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,066 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:22,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,068 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,068 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,068 - INFO - moving on ...
+2024-12-09 10:29:22,068 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:22,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,069 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,069 - INFO - moving on ...
+2024-12-09 10:29:22,069 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:22,069 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:22,069 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:22,069 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,069 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:22,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,070 - INFO - number of orbitals:  76
+2024-12-09 10:29:22,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,071 - INFO - moving on ...
+2024-12-09 10:29:22,071 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:22,071 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:22,071 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:22,071 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,071 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:22,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,072 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,072 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:22,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:22,072 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:22,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,089 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,089 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:22,089 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:22,089 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:22,089 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,089 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:22,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,091 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,091 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:22,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:22,091 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:22,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,107 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,107 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:22,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:22,107 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,107 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:22,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,108 - INFO - number of orbitals:  74
+2024-12-09 10:29:22,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,109 - INFO - moving on ...
+2024-12-09 10:29:22,109 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:22,109 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:22,109 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:22,109 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,109 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:22,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,110 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,110 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,110 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:22,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:22,110 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:22,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,126 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,127 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:22,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:22,127 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,127 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:22,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,128 - INFO - number of orbitals:  90
+2024-12-09 10:29:22,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,128 - INFO - moving on ...
+2024-12-09 10:29:22,128 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:22,128 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:22,128 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:22,128 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,128 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:22,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,130 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,130 - INFO - moving on ...
+2024-12-09 10:29:22,130 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:22,130 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:22,130 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:22,130 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,130 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:22,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,131 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,131 - INFO - moving on ...
+2024-12-09 10:29:22,131 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:22,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,133 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,133 - INFO - moving on ...
+2024-12-09 10:29:22,133 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:22,133 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:22,133 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:22,133 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,133 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:22,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,134 - INFO - number of orbitals:  47
+2024-12-09 10:29:22,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,134 - INFO - moving on ...
+2024-12-09 10:29:22,134 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:22,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,136 - INFO - number of orbitals:  106
+2024-12-09 10:29:22,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,136 - INFO - moving on ...
+2024-12-09 10:29:22,136 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:22,136 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:22,136 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:22,136 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,136 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:22,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,137 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,137 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,137 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:22,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:22,137 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:22,154 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,154 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,154 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:22,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:22,154 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,154 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:22,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,156 - INFO - number of orbitals:  118
+2024-12-09 10:29:22,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,156 - INFO - moving on ...
+2024-12-09 10:29:22,156 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:22,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,157 - INFO - number of orbitals:  68
+2024-12-09 10:29:22,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,157 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,158 - INFO - moving on ...
+2024-12-09 10:29:22,158 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:22,158 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:22,158 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:22,158 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,158 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:22,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,159 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,159 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:22,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:22,159 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:22,176 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,176 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,176 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:22,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:22,176 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,176 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:22,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,178 - INFO - number of orbitals:  114
+2024-12-09 10:29:22,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,178 - INFO - moving on ...
+2024-12-09 10:29:22,178 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:22,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,179 - INFO - number of orbitals:  64
+2024-12-09 10:29:22,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,179 - INFO - moving on ...
+2024-12-09 10:29:22,179 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:22,180 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:22,180 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:22,180 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,180 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:22,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,181 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,181 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:22,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:22,181 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:22,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,198 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,198 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:22,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:22,198 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,198 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:22,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,200 - INFO - number of orbitals:  115
+2024-12-09 10:29:22,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,200 - INFO - moving on ...
+2024-12-09 10:29:22,200 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:22,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,201 - INFO - number of orbitals:  58
+2024-12-09 10:29:22,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,201 - INFO - moving on ...
+2024-12-09 10:29:22,201 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:22,202 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:22,202 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:22,202 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,202 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:22,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,203 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,203 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,203 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:22,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:22,203 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:22,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,220 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,220 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:22,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:22,220 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,220 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:22,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,221 - INFO - number of orbitals:  78
+2024-12-09 10:29:22,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,221 - INFO - moving on ...
+2024-12-09 10:29:22,221 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:22,221 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:22,222 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:22,222 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,222 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:22,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,223 - INFO - number of orbitals:  58
+2024-12-09 10:29:22,223 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,223 - INFO - moving on ...
+2024-12-09 10:29:22,223 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:22,223 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:22,223 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:22,223 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,223 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:22,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,224 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,224 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,224 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:22,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:22,225 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:22,240 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,241 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,241 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:22,241 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:22,241 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:22,241 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,241 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:22,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,243 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,243 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,243 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:22,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:22,243 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:22,259 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,260 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,260 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:22,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:22,260 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,260 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:22,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,261 - INFO - number of orbitals:  86
+2024-12-09 10:29:22,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,262 - INFO - moving on ...
+2024-12-09 10:29:22,262 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:22,262 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:22,262 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:22,262 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,262 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:22,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,263 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,263 - INFO - moving on ...
+2024-12-09 10:29:22,263 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:22,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,264 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,265 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,265 - INFO - moving on ...
+2024-12-09 10:29:22,265 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:22,265 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:22,265 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:22,265 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,265 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:22,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,266 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,266 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:22,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:22,266 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:22,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,283 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,283 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:22,283 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:22,283 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:22,283 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,283 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:22,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,284 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,285 - INFO - moving on ...
+2024-12-09 10:29:22,285 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:22,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,286 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,286 - INFO - moving on ...
+2024-12-09 10:29:22,286 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:22,286 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:22,286 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:22,286 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,286 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:22,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,288 - INFO - number of orbitals:  76
+2024-12-09 10:29:22,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,288 - INFO - moving on ...
+2024-12-09 10:29:22,288 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:22,288 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:22,288 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:22,288 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,288 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:22,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,289 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,289 - INFO - moving on ...
+2024-12-09 10:29:22,289 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:22,289 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:22,290 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:22,290 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,290 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:22,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,291 - INFO - number of orbitals:  48
+2024-12-09 10:29:22,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,291 - INFO - moving on ...
+2024-12-09 10:29:22,291 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:22,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,292 - INFO - number of orbitals:  116
+2024-12-09 10:29:22,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,292 - INFO - moving on ...
+2024-12-09 10:29:22,292 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:22,292 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:22,292 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:22,292 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,292 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:22,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,294 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,294 - INFO - moving on ...
+2024-12-09 10:29:22,294 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:22,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,295 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,295 - INFO - moving on ...
+2024-12-09 10:29:22,295 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:22,295 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:22,295 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:22,295 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,295 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:22,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,297 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,297 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,297 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:22,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:22,297 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:22,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,314 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,314 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:22,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:22,314 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,314 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:22,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,315 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,316 - INFO - moving on ...
+2024-12-09 10:29:22,316 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:22,316 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:22,316 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:22,316 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,316 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:22,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,317 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,317 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,317 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:22,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:22,317 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:22,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,334 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,334 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:22,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:22,334 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,334 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:22,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,336 - INFO - number of orbitals:  110
+2024-12-09 10:29:22,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,336 - INFO - moving on ...
+2024-12-09 10:29:22,336 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:22,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,337 - INFO - number of orbitals:  60
+2024-12-09 10:29:22,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,337 - INFO - moving on ...
+2024-12-09 10:29:22,337 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:22,337 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:22,337 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:22,337 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,337 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:22,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,339 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,339 - INFO - moving on ...
+2024-12-09 10:29:22,339 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:22,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,340 - INFO - number of orbitals:  135
+2024-12-09 10:29:22,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,340 - INFO - moving on ...
+2024-12-09 10:29:22,340 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:22,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,341 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,341 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,341 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,342 - INFO - moving on ...
+2024-12-09 10:29:22,342 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:22,342 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:22,342 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:22,342 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,342 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:22,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,343 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,343 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,343 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:22,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:22,343 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:22,360 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,360 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,361 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:22,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:22,361 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,361 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:22,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,362 - INFO - number of orbitals:  119
+2024-12-09 10:29:22,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,362 - INFO - moving on ...
+2024-12-09 10:29:22,362 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:22,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,364 - INFO - number of orbitals:  62
+2024-12-09 10:29:22,364 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,364 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,364 - INFO - moving on ...
+2024-12-09 10:29:22,364 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:22,364 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:22,364 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:22,364 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,364 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:22,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,365 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,365 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,365 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:22,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:22,366 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:22,382 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,382 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,382 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:22,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:22,382 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,382 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:22,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,384 - INFO - number of orbitals:  64
+2024-12-09 10:29:22,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,384 - INFO - moving on ...
+2024-12-09 10:29:22,384 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:22,384 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:22,384 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:22,384 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,384 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:22,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,385 - INFO - number of orbitals:  52
+2024-12-09 10:29:22,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,386 - INFO - moving on ...
+2024-12-09 10:29:22,386 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:22,386 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:22,386 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:22,386 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,386 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:22,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,387 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,387 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,387 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:22,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:22,387 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:22,403 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,404 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,404 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:22,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:22,404 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,404 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:22,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,406 - INFO - number of orbitals:  89
+2024-12-09 10:29:22,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,406 - INFO - moving on ...
+2024-12-09 10:29:22,406 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:22,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,407 - INFO - number of orbitals:  48
+2024-12-09 10:29:22,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,407 - INFO - moving on ...
+2024-12-09 10:29:22,407 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:22,407 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:22,407 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:22,407 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,408 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:22,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,409 - INFO - number of orbitals:  46
+2024-12-09 10:29:22,409 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,409 - INFO - moving on ...
+2024-12-09 10:29:22,409 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:22,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,410 - INFO - number of orbitals:  94
+2024-12-09 10:29:22,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,410 - INFO - moving on ...
+2024-12-09 10:29:22,410 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:22,410 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:22,410 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:22,410 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,410 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:22,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,412 - INFO - number of orbitals:  70
+2024-12-09 10:29:22,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,412 - INFO - moving on ...
+2024-12-09 10:29:22,412 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:22,412 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:22,412 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:22,412 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,412 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:22,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,413 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,413 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:22,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:22,413 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:22,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,431 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,431 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:22,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:22,431 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,431 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:22,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,433 - INFO - number of orbitals:  79
+2024-12-09 10:29:22,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,433 - INFO - moving on ...
+2024-12-09 10:29:22,433 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:22,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,434 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,434 - INFO - moving on ...
+2024-12-09 10:29:22,434 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:22,435 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:22,435 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:22,435 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,435 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:22,435 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,435 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,435 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,437 - INFO - number of orbitals:  42
+2024-12-09 10:29:22,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,437 - INFO - moving on ...
+2024-12-09 10:29:22,437 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:22,437 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,437 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,437 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,439 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,439 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,439 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:22,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:22,439 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:22,455 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,456 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,456 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:22,456 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,456 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,456 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,458 - INFO - number of orbitals:  90
+2024-12-09 10:29:22,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,458 - INFO - moving on ...
+2024-12-09 10:29:22,458 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:22,458 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,458 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,458 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,460 - INFO - number of orbitals:  42
+2024-12-09 10:29:22,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,460 - INFO - moving on ...
+2024-12-09 10:29:22,460 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:22,460 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,460 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,460 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,462 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,462 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,462 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:22,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:22,462 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:22,478 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,478 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,478 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:22,479 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,479 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,479 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,481 - INFO - number of orbitals:  90
+2024-12-09 10:29:22,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,481 - INFO - moving on ...
+2024-12-09 10:29:22,481 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:22,481 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:22,481 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:22,481 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,481 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:22,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,482 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,482 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,482 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:22,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:22,483 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:22,498 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,499 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,499 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:22,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:22,499 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,499 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:22,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,501 - INFO - number of orbitals:  115
+2024-12-09 10:29:22,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,501 - INFO - moving on ...
+2024-12-09 10:29:22,501 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:22,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,502 - INFO - number of orbitals:  58
+2024-12-09 10:29:22,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,502 - INFO - moving on ...
+2024-12-09 10:29:22,502 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:22,502 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:22,502 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:22,502 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,502 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:22,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,504 - INFO - number of orbitals:  76
+2024-12-09 10:29:22,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,504 - INFO - moving on ...
+2024-12-09 10:29:22,504 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:22,504 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:22,504 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:22,504 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,504 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:22,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,505 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,505 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,505 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:22,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:22,505 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:22,522 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,522 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,522 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:22,522 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:22,522 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:22,522 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,523 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:22,523 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,523 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,523 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,525 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,525 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,525 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:22,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:22,525 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:22,541 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,542 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,542 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:22,542 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,542 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,542 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,544 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,544 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:22,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:22,544 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:22,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,561 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,561 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:22,561 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,562 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,562 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,564 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,564 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,564 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:22,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:22,564 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:22,581 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,581 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,581 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:22,581 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,581 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,581 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,583 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,583 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,584 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:22,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:22,584 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:22,602 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,602 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,602 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:22,602 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,602 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,602 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,604 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,604 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:22,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:22,604 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:22,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,621 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,621 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:22,621 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,621 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,621 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,623 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,623 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,623 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:22,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:22,624 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:22,640 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,640 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,640 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:22,640 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:22,641 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:22,641 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,641 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:22,641 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,641 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,641 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,643 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,643 - INFO - moving on ...
+2024-12-09 10:29:22,643 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:22,643 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,643 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,643 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,645 - INFO - number of orbitals:  70
+2024-12-09 10:29:22,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,645 - INFO - moving on ...
+2024-12-09 10:29:22,645 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:22,645 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,645 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,645 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,647 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,648 - INFO - moving on ...
+2024-12-09 10:29:22,648 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:22,648 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:22,648 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:22,648 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,648 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:22,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,649 - INFO - number of orbitals:  76
+2024-12-09 10:29:22,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,649 - INFO - moving on ...
+2024-12-09 10:29:22,649 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:22,650 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:22,650 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:22,650 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,650 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:22,650 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,650 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,650 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,652 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,652 - INFO - moving on ...
+2024-12-09 10:29:22,652 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:22,652 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,652 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,652 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,654 - INFO - number of orbitals:  70
+2024-12-09 10:29:22,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,654 - INFO - moving on ...
+2024-12-09 10:29:22,654 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:22,654 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,654 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,654 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,656 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,656 - INFO - moving on ...
+2024-12-09 10:29:22,656 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:22,656 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,656 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,656 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,658 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,658 - INFO - moving on ...
+2024-12-09 10:29:22,658 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:22,658 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,658 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,658 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,660 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,660 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,660 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:22,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:22,660 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:22,676 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,677 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,677 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:22,677 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,677 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,677 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,679 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,679 - INFO - moving on ...
+2024-12-09 10:29:22,680 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:22,680 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,680 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,680 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,681 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,681 - INFO - moving on ...
+2024-12-09 10:29:22,682 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:22,682 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,682 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,682 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,683 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,683 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,683 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,684 - INFO - moving on ...
+2024-12-09 10:29:22,684 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:22,684 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,684 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,684 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,685 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,685 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,685 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:22,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:22,686 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:22,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,702 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,702 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:22,702 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,704 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,704 - INFO - moving on ...
+2024-12-09 10:29:22,705 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:22,705 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,705 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,705 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,706 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,706 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,706 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:22,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:22,707 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:22,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,723 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,723 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:22,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,725 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,725 - INFO - moving on ...
+2024-12-09 10:29:22,725 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:22,725 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,725 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,725 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,727 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,727 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,727 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:22,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:22,727 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:22,743 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,743 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,743 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:22,743 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,743 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,743 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,745 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,745 - INFO - moving on ...
+2024-12-09 10:29:22,745 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:22,745 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,745 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,745 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,747 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,747 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,747 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:22,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:22,747 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:22,763 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,764 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,764 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:22,764 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,764 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,764 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,766 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,766 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,766 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:22,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:22,766 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:22,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,783 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,783 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:22,783 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:22,783 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:22,784 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,784 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:22,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,785 - INFO - number of orbitals:  42
+2024-12-09 10:29:22,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,785 - INFO - moving on ...
+2024-12-09 10:29:22,785 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:22,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,786 - INFO - number of orbitals:  90
+2024-12-09 10:29:22,787 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,787 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,787 - INFO - moving on ...
+2024-12-09 10:29:22,787 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:22,787 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:22,787 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:22,787 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,787 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:22,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,788 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,788 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,788 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:22,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:22,788 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:22,806 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,807 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,807 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:22,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:22,807 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,807 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:22,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,809 - INFO - number of orbitals:  118
+2024-12-09 10:29:22,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,809 - INFO - moving on ...
+2024-12-09 10:29:22,809 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:22,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,810 - INFO - number of orbitals:  68
+2024-12-09 10:29:22,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,810 - INFO - moving on ...
+2024-12-09 10:29:22,810 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:22,810 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:22,810 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:22,811 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,811 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:22,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,812 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,812 - INFO - moving on ...
+2024-12-09 10:29:22,812 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:22,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,813 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,813 - INFO - moving on ...
+2024-12-09 10:29:22,813 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:22,813 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:22,814 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:22,814 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,814 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:22,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,815 - INFO - number of orbitals:  66
+2024-12-09 10:29:22,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,815 - INFO - moving on ...
+2024-12-09 10:29:22,815 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:22,815 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:22,815 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:22,816 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,816 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:22,816 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,816 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,816 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,817 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,817 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,818 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:22,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:22,818 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:22,834 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,834 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,834 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:22,834 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,836 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,836 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:22,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:22,836 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:22,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,852 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,852 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:22,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,854 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,854 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,854 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:22,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:22,854 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:22,870 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,870 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,870 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:22,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,871 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,871 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,872 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,872 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:22,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:22,873 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:22,888 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,888 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,888 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:22,888 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,889 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,889 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,890 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,890 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:22,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:22,891 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:22,906 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,906 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,906 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:22,906 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,907 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,907 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,908 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,908 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,908 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:22,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:22,909 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:22,924 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,924 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,925 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:22,925 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,925 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,925 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,927 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,927 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:22,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:22,927 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:22,943 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,943 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,943 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:22,943 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,943 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,944 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,945 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,946 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:22,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:22,946 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:22,961 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,962 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,962 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:22,962 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,962 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,962 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,964 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,964 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,964 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:22,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:22,964 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:22,980 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,980 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,980 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:22,980 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,980 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,980 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,982 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,982 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,982 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:22,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:22,983 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:22,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,999 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,999 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:22,999 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,999 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,999 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,001 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,001 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,001 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:23,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:23,001 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,017 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,017 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,017 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:23,018 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,018 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,018 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,020 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,020 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,020 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:23,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:23,020 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:23,036 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,036 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,036 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:23,036 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:23,036 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:23,036 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,036 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:23,037 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,037 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,037 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,038 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,039 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,039 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:23,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:23,039 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:23,055 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,055 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,055 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:23,055 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,056 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,056 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,058 - INFO - number of orbitals:  108
+2024-12-09 10:29:23,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,058 - INFO - moving on ...
+2024-12-09 10:29:23,058 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:23,058 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:23,058 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:23,058 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,058 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:23,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,060 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,060 - INFO - moving on ...
+2024-12-09 10:29:23,060 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:23,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,061 - INFO - number of orbitals:  135
+2024-12-09 10:29:23,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,061 - INFO - moving on ...
+2024-12-09 10:29:23,061 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:23,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,062 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,063 - INFO - moving on ...
+2024-12-09 10:29:23,063 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:23,063 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:23,063 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:23,063 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,063 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:23,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,064 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,064 - INFO - moving on ...
+2024-12-09 10:29:23,064 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:23,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,065 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,066 - INFO - moving on ...
+2024-12-09 10:29:23,066 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:23,066 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:23,066 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:23,066 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,066 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:23,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,067 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,067 - INFO - moving on ...
+2024-12-09 10:29:23,068 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:23,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,069 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,069 - INFO - moving on ...
+2024-12-09 10:29:23,069 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:23,070 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:23,070 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:23,070 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,070 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:23,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,071 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,072 - INFO - moving on ...
+2024-12-09 10:29:23,072 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:23,072 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:23,072 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:23,072 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,072 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:23,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,074 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,074 - INFO - moving on ...
+2024-12-09 10:29:23,074 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:23,074 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:23,074 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:23,074 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,074 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:23,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,076 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,076 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,076 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:23,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:23,077 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:23,094 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,095 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,095 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:23,095 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:23,095 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,095 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:23,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,096 - INFO - number of orbitals:  118
+2024-12-09 10:29:23,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,096 - INFO - moving on ...
+2024-12-09 10:29:23,097 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:23,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,098 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,098 - INFO - moving on ...
+2024-12-09 10:29:23,098 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:23,098 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:23,098 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:23,098 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,098 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:23,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,098 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,098 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,100 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,100 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,100 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:23,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:23,100 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,116 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,116 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,116 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:23,116 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,116 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,116 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,118 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,118 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,118 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:23,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:23,119 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:23,134 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,135 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,135 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:23,135 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,135 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,135 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,137 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,137 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,137 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:23,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:23,137 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:23,152 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,153 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,153 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:23,153 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,153 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,153 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,155 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,155 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,155 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:23,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:23,155 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,171 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,172 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,172 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:23,172 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,172 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,172 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,174 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,174 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,174 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:23,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:23,174 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:23,190 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,190 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,191 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:23,191 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,191 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,191 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,193 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,193 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,193 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:23,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:23,193 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:23,209 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,209 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,210 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:23,210 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,210 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,210 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,212 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,212 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,212 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:23,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:23,212 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:23,227 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,228 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,228 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:23,228 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,228 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,228 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,230 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,230 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,230 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:23,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:23,230 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:23,245 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,246 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,246 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:23,246 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:23,246 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:23,246 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,246 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:23,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,247 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,247 - INFO - moving on ...
+2024-12-09 10:29:23,248 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:23,248 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:23,248 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:23,248 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,248 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:23,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,249 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,249 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,249 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:23,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:23,249 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:23,264 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,265 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,265 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:23,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:23,265 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,265 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:23,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,267 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,267 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,267 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,267 - INFO - moving on ...
+2024-12-09 10:29:23,267 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:23,267 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:23,267 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:23,267 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,267 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:23,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,268 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,268 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,268 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:23,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:23,268 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:23,284 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,284 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,284 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:23,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:23,284 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,285 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:23,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,286 - INFO - number of orbitals:  119
+2024-12-09 10:29:23,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,286 - INFO - moving on ...
+2024-12-09 10:29:23,286 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:23,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,287 - INFO - number of orbitals:  62
+2024-12-09 10:29:23,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,287 - INFO - moving on ...
+2024-12-09 10:29:23,287 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:23,288 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:23,288 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:23,288 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,288 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:23,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,289 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,289 - INFO - moving on ...
+2024-12-09 10:29:23,289 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:23,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,290 - INFO - number of orbitals:  135
+2024-12-09 10:29:23,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,291 - INFO - moving on ...
+2024-12-09 10:29:23,291 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:23,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,292 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,292 - INFO - moving on ...
+2024-12-09 10:29:23,292 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:23,292 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:23,292 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:23,292 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,292 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:23,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,294 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,294 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,294 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:23,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:23,294 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:23,309 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,310 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,310 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:23,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:23,310 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,310 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:23,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,311 - INFO - number of orbitals:  118
+2024-12-09 10:29:23,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,311 - INFO - moving on ...
+2024-12-09 10:29:23,311 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:23,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,312 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,313 - INFO - moving on ...
+2024-12-09 10:29:23,313 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:23,313 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:23,313 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:23,313 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,313 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:23,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,314 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,314 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,314 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:23,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:23,314 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:23,330 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,331 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,331 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:23,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:23,331 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,331 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:23,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,332 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,332 - INFO - moving on ...
+2024-12-09 10:29:23,332 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:23,333 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:23,333 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:23,333 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,333 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:23,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,334 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,334 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,334 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:23,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:23,334 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:23,349 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,350 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,350 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:23,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:23,350 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,350 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:23,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,351 - INFO - number of orbitals:  110
+2024-12-09 10:29:23,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,351 - INFO - moving on ...
+2024-12-09 10:29:23,351 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:23,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,353 - INFO - number of orbitals:  60
+2024-12-09 10:29:23,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,353 - INFO - moving on ...
+2024-12-09 10:29:23,353 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:23,353 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:23,353 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:23,353 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,353 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:23,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,354 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,354 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,354 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:23,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:23,354 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:23,370 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,370 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,370 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:23,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:23,370 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,370 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:23,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,372 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,372 - INFO - moving on ...
+2024-12-09 10:29:23,372 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:23,372 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:23,372 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:23,372 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,372 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:23,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,373 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,373 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,374 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:23,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:23,374 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:23,389 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,389 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,389 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:23,390 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:23,390 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:23,390 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,390 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:23,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,391 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,391 - INFO - moving on ...
+2024-12-09 10:29:23,391 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:23,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,392 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,393 - INFO - moving on ...
+2024-12-09 10:29:23,393 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:23,393 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:23,393 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:23,393 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,393 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:23,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,394 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,394 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:23,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:23,394 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:23,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,410 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,411 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:23,411 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:23,411 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:23,411 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,411 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:23,411 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,411 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,411 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,413 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,413 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:23,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:23,413 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:23,429 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,430 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,430 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:23,430 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,430 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,430 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,432 - INFO - number of orbitals:  46
+2024-12-09 10:29:23,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,432 - INFO - moving on ...
+2024-12-09 10:29:23,432 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:23,432 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,432 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,432 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,434 - INFO - number of orbitals:  46
+2024-12-09 10:29:23,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,434 - INFO - moving on ...
+2024-12-09 10:29:23,434 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:23,434 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,434 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,434 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,436 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,436 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,436 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:23,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:23,436 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:23,452 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,453 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,453 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:23,453 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:23,453 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:23,453 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,453 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:23,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,454 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,454 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,454 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:23,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:23,455 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:23,470 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,470 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,470 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:23,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:23,470 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,471 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:23,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,472 - INFO - number of orbitals:  85
+2024-12-09 10:29:23,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,472 - INFO - moving on ...
+2024-12-09 10:29:23,472 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:23,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,473 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,473 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,473 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:23,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:23,473 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,488 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,489 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,489 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:23,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:23,489 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,489 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:23,489 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:23,489 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:23,489 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,489 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:23,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,491 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,491 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,491 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:23,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:23,491 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,506 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,506 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,507 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:23,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:23,507 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,507 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:23,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,508 - INFO - number of orbitals:  110
+2024-12-09 10:29:23,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,508 - INFO - moving on ...
+2024-12-09 10:29:23,508 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:23,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,509 - INFO - number of orbitals:  60
+2024-12-09 10:29:23,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,510 - INFO - moving on ...
+2024-12-09 10:29:23,510 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:23,510 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:23,510 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:23,510 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,510 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:23,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,511 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,511 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,511 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:23,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:23,511 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:23,527 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,527 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,527 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:23,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:23,528 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,528 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:23,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,529 - INFO - number of orbitals:  85
+2024-12-09 10:29:23,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,529 - INFO - moving on ...
+2024-12-09 10:29:23,529 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:23,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,531 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,531 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,531 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:23,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:23,531 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:23,547 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,548 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,548 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:23,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:23,548 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,548 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:23,548 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:23,548 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:23,548 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,548 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:23,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,550 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,550 - INFO - moving on ...
+2024-12-09 10:29:23,550 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:23,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,551 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,551 - INFO - moving on ...
+2024-12-09 10:29:23,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:23,552 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:23,552 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:23,552 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,552 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:23,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,553 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,553 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,553 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:23,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:23,553 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:23,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,569 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,569 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:23,570 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:23,570 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:23,570 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,570 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:23,570 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,570 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,570 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,572 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,572 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:23,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:23,572 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:23,588 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,588 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,588 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:23,588 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,589 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,589 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,590 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,590 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:23,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:23,590 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:23,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,608 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,608 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:23,608 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,608 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,608 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,610 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,610 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,610 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:23,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:23,610 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:23,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,627 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,627 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:23,627 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,627 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,627 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,629 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,629 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,629 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:23,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:23,629 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:23,646 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,646 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,646 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:23,646 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,646 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,646 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,648 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,648 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:23,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:23,648 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:23,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,664 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,664 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:23,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,664 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,664 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,666 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,666 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:23,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:23,667 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:23,683 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,683 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,683 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:23,683 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,683 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,686 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,686 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,686 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:23,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:23,686 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:23,704 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,705 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,705 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:23,705 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,705 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,705 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,708 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,708 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,708 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:23,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:23,708 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:23,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,728 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,728 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:23,728 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,728 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,728 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,730 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,730 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,730 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:23,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:23,730 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:23,746 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,747 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,747 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:23,747 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:23,747 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:23,747 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,747 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:23,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,748 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,749 - INFO - moving on ...
+2024-12-09 10:29:23,749 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:23,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,750 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,750 - INFO - moving on ...
+2024-12-09 10:29:23,750 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:23,750 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:23,750 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:23,750 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,750 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:23,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,751 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,751 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,751 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:23,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:23,751 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:23,767 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,767 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,767 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:23,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:23,767 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,767 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:23,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,769 - INFO - number of orbitals:  72
+2024-12-09 10:29:23,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,769 - INFO - moving on ...
+2024-12-09 10:29:23,769 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:23,769 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:23,769 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:23,769 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,769 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:23,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,770 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,770 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,770 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:23,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:23,771 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:23,786 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,786 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,786 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:23,787 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:23,787 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:23,787 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,787 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:23,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,788 - INFO - number of orbitals:  48
+2024-12-09 10:29:23,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,788 - INFO - moving on ...
+2024-12-09 10:29:23,788 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:23,789 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:23,789 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:23,789 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,789 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:23,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,790 - INFO - number of orbitals:  48
+2024-12-09 10:29:23,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,790 - INFO - moving on ...
+2024-12-09 10:29:23,790 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:23,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,792 - INFO - number of orbitals:  116
+2024-12-09 10:29:23,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,792 - INFO - moving on ...
+2024-12-09 10:29:23,792 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:23,792 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:23,792 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:23,792 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,792 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:23,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,793 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,793 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,793 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:23,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:23,794 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:23,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,810 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,810 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:23,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:23,811 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,811 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:23,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,812 - INFO - number of orbitals:  79
+2024-12-09 10:29:23,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,812 - INFO - moving on ...
+2024-12-09 10:29:23,812 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:23,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,813 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,813 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,813 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:23,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:23,814 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:23,830 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,830 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,830 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:23,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:23,830 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,830 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:23,831 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:23,831 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:23,831 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,831 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:23,831 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,831 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,831 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,833 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,833 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,833 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:23,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:23,833 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,849 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,849 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,849 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:23,849 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,849 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,850 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,851 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,851 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,851 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:23,852 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:23,852 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:23,868 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,868 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,868 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:23,868 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,868 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,868 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,870 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,870 - INFO - moving on ...
+2024-12-09 10:29:23,870 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:23,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,870 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,872 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,872 - INFO - moving on ...
+2024-12-09 10:29:23,872 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:23,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,874 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:23,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:23,874 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:23,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,891 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,891 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:23,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,891 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,891 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,893 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,893 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:23,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:23,893 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:23,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,909 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,909 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:23,909 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,910 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,910 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,911 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,912 - INFO - moving on ...
+2024-12-09 10:29:23,912 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:23,912 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,912 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,912 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,913 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,914 - INFO - moving on ...
+2024-12-09 10:29:23,914 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:23,914 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,914 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,914 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,915 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,915 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,915 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:23,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:23,915 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:23,931 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,932 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,932 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:23,932 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,932 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,932 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,934 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,934 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,934 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:23,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:23,934 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:23,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,950 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,950 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:23,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,953 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,953 - INFO - moving on ...
+2024-12-09 10:29:23,953 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:23,953 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,953 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,953 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,955 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,955 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,955 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,955 - INFO - moving on ...
+2024-12-09 10:29:23,955 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:23,955 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:23,955 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:23,955 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,955 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:23,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,956 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,957 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,957 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:23,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:23,957 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:23,972 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,973 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,973 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:23,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:23,973 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,973 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:23,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,974 - INFO - number of orbitals:  55
+2024-12-09 10:29:23,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,974 - INFO - moving on ...
+2024-12-09 10:29:23,974 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:23,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,976 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,976 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,976 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:23,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:23,976 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:23,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,991 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,992 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:23,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:23,992 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,992 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:23,992 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:23,992 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:23,992 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,992 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:23,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,993 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,993 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,993 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:23,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:23,994 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:24,009 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,009 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,010 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:24,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:24,010 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,010 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:24,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,012 - INFO - number of orbitals:  110
+2024-12-09 10:29:24,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,012 - INFO - moving on ...
+2024-12-09 10:29:24,012 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:24,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,013 - INFO - number of orbitals:  60
+2024-12-09 10:29:24,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,013 - INFO - moving on ...
+2024-12-09 10:29:24,013 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:24,014 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:24,014 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:24,014 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,014 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:24,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,015 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,015 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,015 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:24,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:24,015 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:24,031 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,031 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,031 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:24,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:24,031 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,031 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:24,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,033 - INFO - number of orbitals:  110
+2024-12-09 10:29:24,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,033 - INFO - moving on ...
+2024-12-09 10:29:24,033 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:24,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,034 - INFO - number of orbitals:  60
+2024-12-09 10:29:24,034 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,034 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,034 - INFO - moving on ...
+2024-12-09 10:29:24,034 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:24,034 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:24,035 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:24,035 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,035 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:24,035 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,035 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,035 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,036 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,037 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,037 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:24,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:24,037 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:24,052 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,053 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,053 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:24,053 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,053 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,053 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,055 - INFO - number of orbitals:  53
+2024-12-09 10:29:24,055 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,055 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,055 - INFO - moving on ...
+2024-12-09 10:29:24,055 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:24,055 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,055 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,055 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,057 - INFO - number of orbitals:  58
+2024-12-09 10:29:24,057 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,057 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,057 - INFO - moving on ...
+2024-12-09 10:29:24,057 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:24,057 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,057 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,057 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,059 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,059 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,059 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:24,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:24,059 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:24,074 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,075 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,075 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:24,075 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,075 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,075 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,077 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,077 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,077 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,077 - INFO - moving on ...
+2024-12-09 10:29:24,077 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:24,077 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,077 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,077 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,079 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,079 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,079 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,079 - INFO - moving on ...
+2024-12-09 10:29:24,079 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:24,079 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,079 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,079 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,081 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,081 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,081 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:24,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:24,081 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:24,096 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,097 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,097 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:24,097 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,097 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,097 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,099 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,099 - INFO - moving on ...
+2024-12-09 10:29:24,099 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:24,099 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,099 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,101 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,101 - INFO - moving on ...
+2024-12-09 10:29:24,101 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:24,101 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:24,101 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:24,101 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,101 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:24,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,102 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,103 - INFO - moving on ...
+2024-12-09 10:29:24,103 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:24,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,104 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,104 - INFO - moving on ...
+2024-12-09 10:29:24,104 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:24,104 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:24,104 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:24,104 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,104 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:24,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,105 - INFO - number of orbitals:  76
+2024-12-09 10:29:24,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,105 - INFO - moving on ...
+2024-12-09 10:29:24,105 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:24,106 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:24,106 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:24,106 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,106 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:24,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,107 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,107 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,107 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:24,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:24,107 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:24,122 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,122 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,122 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:24,123 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:24,123 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:24,123 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,123 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:24,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,124 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,124 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,124 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:24,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:24,124 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:24,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,140 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,140 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:24,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:24,140 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,140 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:24,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,141 - INFO - number of orbitals:  74
+2024-12-09 10:29:24,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,142 - INFO - moving on ...
+2024-12-09 10:29:24,142 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:24,142 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:24,142 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:24,142 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,142 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:24,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,143 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,143 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,143 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:24,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:24,143 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:24,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,160 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,160 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:24,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:24,160 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,160 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:24,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,162 - INFO - number of orbitals:  90
+2024-12-09 10:29:24,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,162 - INFO - moving on ...
+2024-12-09 10:29:24,162 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:24,162 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:24,162 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:24,162 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,162 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:24,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,163 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,163 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,163 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,163 - INFO - moving on ...
+2024-12-09 10:29:24,163 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:24,163 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:24,163 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:24,164 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,164 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:24,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,165 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,165 - INFO - moving on ...
+2024-12-09 10:29:24,165 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:24,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,166 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,166 - INFO - moving on ...
+2024-12-09 10:29:24,166 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:24,166 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:24,166 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:24,167 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,167 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:24,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,168 - INFO - number of orbitals:  47
+2024-12-09 10:29:24,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,168 - INFO - moving on ...
+2024-12-09 10:29:24,168 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:24,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,169 - INFO - number of orbitals:  106
+2024-12-09 10:29:24,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,169 - INFO - moving on ...
+2024-12-09 10:29:24,169 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:24,169 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:24,169 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:24,170 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,170 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:24,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,171 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,171 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,171 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:24,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:24,171 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:24,186 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,187 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,187 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:24,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:24,187 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,187 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:24,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,188 - INFO - number of orbitals:  118
+2024-12-09 10:29:24,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,189 - INFO - moving on ...
+2024-12-09 10:29:24,189 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:24,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,190 - INFO - number of orbitals:  68
+2024-12-09 10:29:24,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,190 - INFO - moving on ...
+2024-12-09 10:29:24,190 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:24,190 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:24,190 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:24,190 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,190 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:24,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,192 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,192 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,192 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:24,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:24,192 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:24,210 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,211 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,211 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:24,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:24,211 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,211 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:24,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,214 - INFO - number of orbitals:  114
+2024-12-09 10:29:24,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,214 - INFO - moving on ...
+2024-12-09 10:29:24,214 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:24,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,216 - INFO - number of orbitals:  64
+2024-12-09 10:29:24,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,216 - INFO - moving on ...
+2024-12-09 10:29:24,216 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:24,216 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:24,216 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:24,216 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,216 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:24,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,218 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,218 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:24,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:24,218 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:24,237 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,237 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,237 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:24,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:24,237 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,237 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:24,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,239 - INFO - number of orbitals:  115
+2024-12-09 10:29:24,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,239 - INFO - moving on ...
+2024-12-09 10:29:24,239 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:24,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,241 - INFO - number of orbitals:  58
+2024-12-09 10:29:24,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,241 - INFO - moving on ...
+2024-12-09 10:29:24,241 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:24,241 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:24,241 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:24,241 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,241 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:24,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,242 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,242 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:24,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:24,242 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:24,259 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,259 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,259 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:24,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:24,260 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,260 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:24,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,261 - INFO - number of orbitals:  78
+2024-12-09 10:29:24,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,261 - INFO - moving on ...
+2024-12-09 10:29:24,261 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:24,261 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:24,261 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:24,261 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,261 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:24,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,263 - INFO - number of orbitals:  58
+2024-12-09 10:29:24,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,263 - INFO - moving on ...
+2024-12-09 10:29:24,263 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:24,263 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:24,263 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:24,263 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,263 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:24,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,264 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,264 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,264 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:24,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:24,265 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:24,281 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,281 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,281 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:24,281 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:24,281 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:24,281 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,282 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:24,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,283 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,283 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,283 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:24,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:24,283 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:24,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,300 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,300 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:24,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:24,300 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,300 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:24,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,301 - INFO - number of orbitals:  86
+2024-12-09 10:29:24,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,301 - INFO - moving on ...
+2024-12-09 10:29:24,301 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:24,302 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:24,302 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:24,302 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,302 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:24,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,303 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,303 - INFO - moving on ...
+2024-12-09 10:29:24,303 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:24,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,304 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,304 - INFO - moving on ...
+2024-12-09 10:29:24,304 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:24,305 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:24,305 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:24,305 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,305 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:24,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,306 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,306 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,306 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:24,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:24,306 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:24,321 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,322 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,322 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:24,322 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:24,322 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:24,322 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,322 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:24,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,323 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,323 - INFO - moving on ...
+2024-12-09 10:29:24,324 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:24,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,325 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,325 - INFO - moving on ...
+2024-12-09 10:29:24,325 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:24,325 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:24,325 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:24,325 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,325 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:24,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,326 - INFO - number of orbitals:  76
+2024-12-09 10:29:24,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,327 - INFO - moving on ...
+2024-12-09 10:29:24,327 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:24,327 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:24,327 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:24,327 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,327 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:24,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,328 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,328 - INFO - moving on ...
+2024-12-09 10:29:24,328 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:24,328 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:24,328 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:24,328 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,328 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:24,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,330 - INFO - number of orbitals:  48
+2024-12-09 10:29:24,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,330 - INFO - moving on ...
+2024-12-09 10:29:24,330 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:24,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,331 - INFO - number of orbitals:  116
+2024-12-09 10:29:24,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,331 - INFO - moving on ...
+2024-12-09 10:29:24,331 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:24,331 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:24,331 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:24,331 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,331 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:24,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,333 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,333 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,333 - INFO - moving on ...
+2024-12-09 10:29:24,333 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:24,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,334 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,334 - INFO - moving on ...
+2024-12-09 10:29:24,334 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:24,334 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:24,334 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:24,334 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,334 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:24,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,336 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,336 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:24,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:24,336 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:24,352 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,352 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,352 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:24,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:24,352 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,352 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:24,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,354 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,354 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,354 - INFO - moving on ...
+2024-12-09 10:29:24,354 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:24,355 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:24,355 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:24,355 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,355 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:24,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,357 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,357 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:24,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:24,357 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:24,375 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,375 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,375 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:24,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:24,375 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,375 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:24,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,377 - INFO - number of orbitals:  110
+2024-12-09 10:29:24,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,377 - INFO - moving on ...
+2024-12-09 10:29:24,377 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:24,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,378 - INFO - number of orbitals:  60
+2024-12-09 10:29:24,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,378 - INFO - moving on ...
+2024-12-09 10:29:24,378 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:24,378 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:24,378 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:24,378 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,378 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:24,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,380 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,380 - INFO - moving on ...
+2024-12-09 10:29:24,380 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:24,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,381 - INFO - number of orbitals:  135
+2024-12-09 10:29:24,381 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,381 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,381 - INFO - moving on ...
+2024-12-09 10:29:24,381 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:24,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,382 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,383 - INFO - moving on ...
+2024-12-09 10:29:24,383 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:24,383 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:24,383 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:24,383 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,383 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:24,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,384 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,384 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,384 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:24,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:24,384 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:24,400 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,401 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,401 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:24,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:24,401 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,401 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:24,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,403 - INFO - number of orbitals:  119
+2024-12-09 10:29:24,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,403 - INFO - moving on ...
+2024-12-09 10:29:24,403 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:24,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,404 - INFO - number of orbitals:  62
+2024-12-09 10:29:24,404 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,404 - INFO - moving on ...
+2024-12-09 10:29:24,404 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:24,404 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:24,404 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:24,404 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,404 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:24,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,406 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,406 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,406 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:24,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:24,406 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:24,422 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,423 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,423 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:24,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:24,423 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,423 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:24,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,424 - INFO - number of orbitals:  64
+2024-12-09 10:29:24,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,425 - INFO - moving on ...
+2024-12-09 10:29:24,425 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:24,425 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:24,425 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:24,425 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,425 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:24,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,426 - INFO - number of orbitals:  52
+2024-12-09 10:29:24,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,426 - INFO - moving on ...
+2024-12-09 10:29:24,426 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:24,427 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:24,427 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:24,427 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,427 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:24,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,428 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,428 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:24,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:24,428 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:24,445 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,446 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,446 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:24,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:24,446 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,446 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:24,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,447 - INFO - number of orbitals:  89
+2024-12-09 10:29:24,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,448 - INFO - moving on ...
+2024-12-09 10:29:24,448 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:24,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,449 - INFO - number of orbitals:  48
+2024-12-09 10:29:24,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,449 - INFO - moving on ...
+2024-12-09 10:29:24,449 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:24,449 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:24,449 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:24,449 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,449 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:24,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,451 - INFO - number of orbitals:  46
+2024-12-09 10:29:24,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,451 - INFO - moving on ...
+2024-12-09 10:29:24,451 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:24,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,452 - INFO - number of orbitals:  94
+2024-12-09 10:29:24,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,452 - INFO - moving on ...
+2024-12-09 10:29:24,452 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:24,452 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:24,452 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:24,452 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,452 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:24,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,454 - INFO - number of orbitals:  70
+2024-12-09 10:29:24,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,454 - INFO - moving on ...
+2024-12-09 10:29:24,454 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:24,454 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:24,454 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:24,454 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,454 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:24,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,455 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,455 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,455 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:24,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:24,455 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:24,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,472 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,472 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:24,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:24,472 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,473 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:24,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,474 - INFO - number of orbitals:  79
+2024-12-09 10:29:24,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,474 - INFO - moving on ...
+2024-12-09 10:29:24,474 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:24,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,476 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,476 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,476 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:24,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:24,476 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:24,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,492 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,492 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:24,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:24,492 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,492 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:24,492 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:24,492 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:24,492 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,492 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:24,492 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,493 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,493 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,494 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,494 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,494 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:24,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:24,495 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:24,509 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,510 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,510 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:24,510 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,510 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,510 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,512 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,512 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,512 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:24,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:24,512 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:24,528 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,528 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,528 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:24,528 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,528 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,528 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,530 - INFO - number of orbitals:  90
+2024-12-09 10:29:24,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,530 - INFO - moving on ...
+2024-12-09 10:29:24,530 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:24,530 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,530 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,531 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,532 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,532 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,532 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:24,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:24,532 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:24,548 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,549 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,549 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:24,549 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,549 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,549 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,551 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,551 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,551 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:24,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:24,551 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:24,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,567 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,567 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:24,567 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,567 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,567 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,569 - INFO - number of orbitals:  90
+2024-12-09 10:29:24,569 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,569 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,569 - INFO - moving on ...
+2024-12-09 10:29:24,569 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:24,569 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:24,569 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:24,570 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,570 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:24,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,571 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,571 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,571 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:24,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:24,571 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:24,587 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,587 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,587 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:24,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:24,587 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,587 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:24,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,589 - INFO - number of orbitals:  115
+2024-12-09 10:29:24,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,589 - INFO - moving on ...
+2024-12-09 10:29:24,589 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:24,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,590 - INFO - number of orbitals:  58
+2024-12-09 10:29:24,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,590 - INFO - moving on ...
+2024-12-09 10:29:24,591 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:24,591 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:24,591 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:24,591 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,591 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:24,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,592 - INFO - number of orbitals:  76
+2024-12-09 10:29:24,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,592 - INFO - moving on ...
+2024-12-09 10:29:24,592 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:24,592 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:24,592 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:24,592 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,592 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:24,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,593 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,594 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,594 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:24,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:24,594 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:24,609 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,610 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,610 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:24,610 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:24,610 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:24,610 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,610 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:24,610 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,610 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,610 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,612 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:24,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:24,612 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:24,627 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,628 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,628 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:24,628 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,628 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,628 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,630 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,630 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,630 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:24,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:24,630 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:24,645 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,646 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,646 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:24,646 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,646 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,646 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,648 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,648 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:24,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:24,648 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:24,663 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,664 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,664 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:24,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,664 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,664 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,666 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,666 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:24,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:24,666 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:24,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,682 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,682 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:24,682 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,683 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,685 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,685 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,685 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:24,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:24,685 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:24,701 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,701 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,702 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:24,702 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,704 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,704 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,704 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:24,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:24,704 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:24,720 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,720 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,720 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:24,721 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:24,721 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:24,721 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,721 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:24,721 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,721 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,721 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,723 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,723 - INFO - moving on ...
+2024-12-09 10:29:24,723 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:24,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,725 - INFO - number of orbitals:  70
+2024-12-09 10:29:24,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,725 - INFO - moving on ...
+2024-12-09 10:29:24,725 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:24,725 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,725 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,725 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,727 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,727 - INFO - moving on ...
+2024-12-09 10:29:24,727 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:24,727 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:24,727 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:24,727 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,727 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:24,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,728 - INFO - number of orbitals:  76
+2024-12-09 10:29:24,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,729 - INFO - moving on ...
+2024-12-09 10:29:24,729 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:24,729 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:24,729 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:24,729 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,729 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:24,729 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,729 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,729 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,731 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,731 - INFO - moving on ...
+2024-12-09 10:29:24,731 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:24,731 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,731 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,731 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,733 - INFO - number of orbitals:  70
+2024-12-09 10:29:24,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,733 - INFO - moving on ...
+2024-12-09 10:29:24,733 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:24,733 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,733 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,733 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,735 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,735 - INFO - moving on ...
+2024-12-09 10:29:24,735 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:24,735 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,735 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,737 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,737 - INFO - moving on ...
+2024-12-09 10:29:24,737 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:24,737 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,737 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,737 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,739 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,739 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,739 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:24,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:24,739 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:24,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,754 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,754 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:24,755 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,757 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,757 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:24,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:24,757 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:24,773 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,773 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,774 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:24,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,774 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,774 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,776 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,776 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,776 - INFO - moving on ...
+2024-12-09 10:29:24,776 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:24,776 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,776 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,776 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,778 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,778 - INFO - moving on ...
+2024-12-09 10:29:24,778 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:24,778 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,778 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,778 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,780 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,780 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,780 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:24,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:24,780 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:24,797 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,798 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,798 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:24,798 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,798 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,798 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,800 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,800 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,800 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:24,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:24,800 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:24,816 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,817 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,817 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:24,817 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,817 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,817 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,819 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,819 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,819 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:24,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:24,819 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:24,834 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,835 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,835 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:24,835 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,835 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,835 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,837 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,837 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,837 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:24,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:24,837 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:24,853 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,853 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,853 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:24,853 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,855 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,855 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:24,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:24,855 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:24,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,873 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,873 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:24,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,875 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,875 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:24,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:24,875 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:24,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,892 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,892 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:24,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,894 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,894 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:24,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:24,894 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:24,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,911 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,911 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:24,911 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,911 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,911 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,913 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,913 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:24,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:24,913 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:24,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,930 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,930 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:24,930 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:24,930 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:24,930 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,930 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:24,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,932 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,932 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:24,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:24,932 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:24,948 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,949 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,949 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:24,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:24,949 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,949 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:24,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,950 - INFO - number of orbitals:  90
+2024-12-09 10:29:24,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,950 - INFO - moving on ...
+2024-12-09 10:29:24,950 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:24,951 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:24,951 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:24,951 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,951 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:24,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,952 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,952 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:24,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:24,952 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:24,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,968 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,968 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:24,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:24,968 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,968 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:24,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,970 - INFO - number of orbitals:  118
+2024-12-09 10:29:24,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,970 - INFO - moving on ...
+2024-12-09 10:29:24,970 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:24,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,971 - INFO - number of orbitals:  68
+2024-12-09 10:29:24,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,971 - INFO - moving on ...
+2024-12-09 10:29:24,971 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:24,972 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:24,972 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:24,972 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,972 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:24,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,973 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,973 - INFO - moving on ...
+2024-12-09 10:29:24,973 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:24,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,974 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,974 - INFO - moving on ...
+2024-12-09 10:29:24,974 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:24,974 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:24,974 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:24,974 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,975 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:24,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,976 - INFO - number of orbitals:  66
+2024-12-09 10:29:24,976 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,976 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,976 - INFO - moving on ...
+2024-12-09 10:29:24,976 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:24,976 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:24,976 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:24,976 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,976 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:24,976 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,976 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,976 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,978 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,978 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,978 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:24,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:24,978 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:24,994 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,994 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,994 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:24,994 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,994 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,994 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,996 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,996 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,996 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:24,996 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:24,996 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:25,013 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,014 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,014 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:25,014 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,014 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,014 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,016 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,016 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,016 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:25,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:25,016 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,032 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,033 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,033 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:25,033 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,033 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,033 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,035 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,035 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,035 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:25,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:25,035 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,051 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,051 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,051 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:25,051 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,052 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,052 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,054 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,054 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:25,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:25,054 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:25,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,070 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,070 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:25,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,072 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,072 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:25,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:25,072 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:25,087 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,088 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,088 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:25,088 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,088 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,088 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,090 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,090 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:25,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:25,090 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:25,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,107 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,107 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:25,107 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,107 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,107 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,109 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,109 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,109 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:25,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:25,109 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:25,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,126 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,127 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:25,127 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,127 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,129 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,129 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:25,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:25,129 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:25,146 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,146 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,146 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:25,146 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,146 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,146 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,149 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,149 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:25,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:25,149 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:25,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,165 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,165 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:25,166 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,166 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,166 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,167 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,168 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,168 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:25,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:25,168 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,184 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,185 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:25,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,187 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,187 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,187 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:25,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:25,187 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:25,203 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,203 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,203 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:25,204 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:25,204 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:25,204 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,204 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:25,204 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,204 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,204 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,206 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,206 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,206 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:25,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:25,206 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:25,222 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,223 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,223 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:25,223 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,223 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,223 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,225 - INFO - number of orbitals:  108
+2024-12-09 10:29:25,225 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,225 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,225 - INFO - moving on ...
+2024-12-09 10:29:25,225 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:25,225 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:25,225 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:25,225 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,225 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:25,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,227 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,227 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,227 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,227 - INFO - moving on ...
+2024-12-09 10:29:25,227 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:25,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,228 - INFO - number of orbitals:  135
+2024-12-09 10:29:25,228 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,228 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,228 - INFO - moving on ...
+2024-12-09 10:29:25,228 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:25,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,229 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,229 - INFO - moving on ...
+2024-12-09 10:29:25,229 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:25,230 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:25,230 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:25,230 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,230 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:25,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,231 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,231 - INFO - moving on ...
+2024-12-09 10:29:25,231 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:25,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,232 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,232 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,232 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,232 - INFO - moving on ...
+2024-12-09 10:29:25,232 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:25,232 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:25,233 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:25,233 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,233 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:25,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,234 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,234 - INFO - moving on ...
+2024-12-09 10:29:25,234 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:25,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,235 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,235 - INFO - moving on ...
+2024-12-09 10:29:25,235 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:25,236 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:25,236 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:25,236 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,236 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:25,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,237 - INFO - number of orbitals:  76
+2024-12-09 10:29:25,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,237 - INFO - moving on ...
+2024-12-09 10:29:25,237 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:25,237 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:25,237 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:25,237 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,237 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:25,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,239 - INFO - number of orbitals:  76
+2024-12-09 10:29:25,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,239 - INFO - moving on ...
+2024-12-09 10:29:25,239 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:25,239 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:25,239 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:25,239 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,239 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:25,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,240 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,240 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:25,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:25,241 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:25,256 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,257 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,257 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:25,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:25,257 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,257 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:25,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,259 - INFO - number of orbitals:  118
+2024-12-09 10:29:25,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,259 - INFO - moving on ...
+2024-12-09 10:29:25,259 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:25,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,260 - INFO - number of orbitals:  68
+2024-12-09 10:29:25,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,260 - INFO - moving on ...
+2024-12-09 10:29:25,260 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:25,261 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:25,261 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:25,261 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,261 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:25,261 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,261 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,261 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,262 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,263 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,263 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:25,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:25,263 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,278 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,279 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,279 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:25,279 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,279 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,279 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,281 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,281 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,281 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:25,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:25,281 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:25,297 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,298 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,298 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:25,298 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,298 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,298 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,300 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,300 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,300 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:25,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:25,300 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:25,317 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,317 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,317 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:25,317 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,317 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,317 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,319 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,319 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,319 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:25,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:25,319 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,335 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,336 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,336 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:25,336 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,336 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,336 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,338 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,338 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,338 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:25,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:25,338 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:25,355 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,356 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,356 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:25,356 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,356 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,356 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,358 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,358 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,358 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:25,358 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:25,358 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:25,374 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,375 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,375 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:25,375 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,375 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,375 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,377 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,377 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,377 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:25,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:25,377 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:25,393 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,393 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,393 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:25,393 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,394 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,394 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,395 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,395 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,395 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:25,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:25,396 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:25,411 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,411 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,411 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:25,411 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:25,411 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:25,411 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,411 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:25,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,413 - INFO - number of orbitals:  76
+2024-12-09 10:29:25,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,413 - INFO - moving on ...
+2024-12-09 10:29:25,413 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:25,413 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:25,413 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:25,413 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,413 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:25,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,415 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,415 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,415 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:25,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:25,415 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:25,432 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,432 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,432 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:25,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:25,433 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,433 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:25,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,434 - INFO - number of orbitals:  76
+2024-12-09 10:29:25,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,434 - INFO - moving on ...
+2024-12-09 10:29:25,434 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:25,434 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:25,435 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:25,435 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,435 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:25,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,436 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,436 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,436 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:25,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:25,436 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:25,452 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,453 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,453 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:25,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:25,453 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,453 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:25,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,455 - INFO - number of orbitals:  119
+2024-12-09 10:29:25,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,455 - INFO - moving on ...
+2024-12-09 10:29:25,455 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:25,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,456 - INFO - number of orbitals:  62
+2024-12-09 10:29:25,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,456 - INFO - moving on ...
+2024-12-09 10:29:25,456 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:25,456 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:25,456 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:25,456 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,456 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:25,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,457 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,458 - INFO - moving on ...
+2024-12-09 10:29:25,458 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:25,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,459 - INFO - number of orbitals:  135
+2024-12-09 10:29:25,459 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,459 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,459 - INFO - moving on ...
+2024-12-09 10:29:25,459 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:25,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,460 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,460 - INFO - moving on ...
+2024-12-09 10:29:25,460 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:25,460 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:25,460 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:25,460 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,460 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:25,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,462 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,462 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,462 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:25,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:25,462 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:25,477 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,477 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,477 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:25,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:25,477 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,477 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:25,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,479 - INFO - number of orbitals:  118
+2024-12-09 10:29:25,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,479 - INFO - moving on ...
+2024-12-09 10:29:25,479 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:25,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,480 - INFO - number of orbitals:  68
+2024-12-09 10:29:25,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,480 - INFO - moving on ...
+2024-12-09 10:29:25,480 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:25,480 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:25,480 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:25,480 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,480 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:25,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,481 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,482 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,482 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:25,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:25,482 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:25,497 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,497 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,497 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:25,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:25,497 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,497 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:25,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,499 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,499 - INFO - moving on ...
+2024-12-09 10:29:25,499 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:25,499 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:25,499 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:25,499 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,499 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:25,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,500 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,500 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,500 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:25,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:25,500 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:25,516 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,516 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,516 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:25,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:25,516 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,516 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:25,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,517 - INFO - number of orbitals:  110
+2024-12-09 10:29:25,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,518 - INFO - moving on ...
+2024-12-09 10:29:25,518 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:25,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,519 - INFO - number of orbitals:  60
+2024-12-09 10:29:25,519 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,519 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,519 - INFO - moving on ...
+2024-12-09 10:29:25,519 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:25,519 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:25,519 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:25,519 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,519 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:25,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,520 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,521 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,521 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:25,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:25,521 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:25,537 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,537 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,537 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:25,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:25,537 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,537 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:25,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,539 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,539 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,539 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,539 - INFO - moving on ...
+2024-12-09 10:29:25,539 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:25,539 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:25,539 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:25,539 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,539 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:25,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,540 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,541 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,541 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:25,541 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:25,541 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:25,556 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,557 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,557 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:25,557 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:25,557 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:25,557 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,557 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:25,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,559 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,559 - INFO - moving on ...
+2024-12-09 10:29:25,559 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:25,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,560 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,560 - INFO - moving on ...
+2024-12-09 10:29:25,560 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:25,560 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:25,560 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:25,560 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,560 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:25,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,562 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,562 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:25,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:25,562 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:25,578 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,578 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,578 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:25,579 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:25,579 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:25,579 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,579 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:25,579 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,579 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,579 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,581 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,581 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,581 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:25,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:25,581 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:25,597 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,598 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,598 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:25,598 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,598 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,598 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,600 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,600 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,600 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:25,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:25,600 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:25,616 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,617 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,617 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:25,617 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,617 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,617 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,619 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,619 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,619 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:25,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:25,619 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:25,634 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,635 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,635 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:25,635 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,635 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,635 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,637 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,637 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,637 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:25,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:25,637 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:25,653 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,653 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,653 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:25,653 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:25,654 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:25,654 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,654 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:25,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,655 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,655 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,655 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:25,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:25,655 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:25,670 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,670 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,670 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:25,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:25,671 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,671 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:25,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,672 - INFO - number of orbitals:  85
+2024-12-09 10:29:25,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,672 - INFO - moving on ...
+2024-12-09 10:29:25,672 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:25,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,673 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,673 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,673 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:25,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:25,673 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,689 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,689 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,689 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:25,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:25,689 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,689 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:25,690 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:25,690 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:25,690 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,690 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:25,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,691 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,691 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,691 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:25,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:25,691 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,707 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,707 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,707 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:25,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:25,708 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,708 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:25,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,709 - INFO - number of orbitals:  110
+2024-12-09 10:29:25,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,709 - INFO - moving on ...
+2024-12-09 10:29:25,709 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:25,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,710 - INFO - number of orbitals:  60
+2024-12-09 10:29:25,710 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,710 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,710 - INFO - moving on ...
+2024-12-09 10:29:25,710 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:25,711 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:25,711 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:25,711 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,711 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:25,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,712 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,712 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,712 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:25,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:25,712 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:25,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,728 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,728 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:25,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:25,728 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,728 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:25,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,730 - INFO - number of orbitals:  85
+2024-12-09 10:29:25,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,730 - INFO - moving on ...
+2024-12-09 10:29:25,730 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:25,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,731 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,731 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,731 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:25,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:25,731 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:25,747 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,748 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,748 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:25,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:25,748 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,748 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:25,748 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:25,748 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:25,748 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,748 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:25,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,750 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,750 - INFO - moving on ...
+2024-12-09 10:29:25,750 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:25,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,751 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,751 - INFO - moving on ...
+2024-12-09 10:29:25,751 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:25,751 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:25,751 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:25,751 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,751 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:25,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,753 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,753 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:25,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:25,753 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:25,768 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,769 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,769 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:25,769 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:25,769 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:25,769 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,769 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:25,769 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,769 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,769 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,771 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,771 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,771 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:25,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:25,771 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:25,787 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,788 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,788 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:25,788 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,788 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,788 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,790 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,790 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,790 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:25,790 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:25,790 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:25,806 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,807 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,807 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:25,807 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,807 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,807 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,809 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,809 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,809 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:25,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:25,809 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:25,825 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,825 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,825 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:25,825 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,827 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,828 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,828 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:25,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:25,828 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:25,843 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,844 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,844 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:25,844 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,844 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,844 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,846 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,846 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,846 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:25,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:25,846 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:25,862 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,863 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,863 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:25,863 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,863 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,863 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,865 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,865 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,865 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:25,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:25,865 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:25,881 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,882 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,882 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:25,882 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,882 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,882 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,884 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,884 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,884 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:25,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:25,884 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:25,900 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,900 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,901 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:25,901 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,901 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,901 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,903 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,903 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,903 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:25,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:25,903 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:25,919 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,919 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,919 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:25,919 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,919 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,919 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,921 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,921 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,921 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:25,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:25,921 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:25,937 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,937 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,937 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:25,938 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:25,938 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:25,938 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,938 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:25,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,939 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,939 - INFO - moving on ...
+2024-12-09 10:29:25,939 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:25,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,941 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,941 - INFO - moving on ...
+2024-12-09 10:29:25,941 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:25,941 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:25,942 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:25,942 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,942 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:25,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,943 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,943 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,943 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:25,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:25,943 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:25,960 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,960 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,960 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:25,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:25,960 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,960 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:25,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,962 - INFO - number of orbitals:  72
+2024-12-09 10:29:25,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,962 - INFO - moving on ...
+2024-12-09 10:29:25,962 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:25,962 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:25,962 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:25,962 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,962 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:25,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,964 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,964 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,964 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:25,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:25,964 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:25,980 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,981 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,981 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:25,981 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:25,981 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:25,981 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,981 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:25,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,982 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,982 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,983 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:25,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:25,983 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:25,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,999 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,999 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:25,999 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:25,999 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,999 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:25,999 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:25,999 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:25,999 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,000 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:26,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,001 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,001 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,001 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:26,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:26,001 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:26,017 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,018 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,018 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:26,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:26,018 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,018 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:26,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,019 - INFO - number of orbitals:  116
+2024-12-09 10:29:26,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,019 - INFO - moving on ...
+2024-12-09 10:29:26,019 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:26,020 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:26,020 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:26,020 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,020 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:26,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,021 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,021 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,021 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:26,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:26,021 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,037 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,037 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,037 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:26,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:26,037 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,037 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:26,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,039 - INFO - number of orbitals:  79
+2024-12-09 10:29:26,039 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,039 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,039 - INFO - moving on ...
+2024-12-09 10:29:26,039 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:26,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,040 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,040 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,040 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:26,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:26,040 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:26,056 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,057 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,057 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:26,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:26,057 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,057 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:26,057 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:26,057 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:26,057 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,057 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:26,057 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,057 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,058 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,059 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,060 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:26,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:26,060 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:26,076 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,076 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,076 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:26,076 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,076 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,076 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,078 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,078 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,078 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:26,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:26,078 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:26,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,095 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,095 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:26,095 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,095 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,095 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,097 - INFO - number of orbitals:  68
+2024-12-09 10:29:26,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,098 - INFO - moving on ...
+2024-12-09 10:29:26,098 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:26,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,098 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,098 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,100 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,100 - INFO - moving on ...
+2024-12-09 10:29:26,100 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:26,100 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,100 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,100 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,102 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,102 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,102 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:26,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:26,102 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:26,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,118 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,118 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:26,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,120 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,120 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,120 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:26,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:26,120 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:26,136 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,136 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,136 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:26,136 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,136 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,136 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,138 - INFO - number of orbitals:  68
+2024-12-09 10:29:26,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,139 - INFO - moving on ...
+2024-12-09 10:29:26,139 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:26,139 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,139 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,139 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,140 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,140 - INFO - moving on ...
+2024-12-09 10:29:26,141 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:26,141 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,141 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,141 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,142 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,142 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,142 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:26,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:26,142 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:26,158 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,159 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,159 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:26,159 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,159 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,159 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,161 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,161 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:26,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:26,161 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,177 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,178 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:26,178 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,178 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,178 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,180 - INFO - number of orbitals:  68
+2024-12-09 10:29:26,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,180 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,180 - INFO - moving on ...
+2024-12-09 10:29:26,180 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:26,180 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,180 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,180 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,182 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,182 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,182 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,182 - INFO - moving on ...
+2024-12-09 10:29:26,182 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:26,182 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:26,182 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:26,182 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,182 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:26,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,184 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,184 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,184 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:26,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:26,184 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:26,200 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,200 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,200 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:26,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:26,201 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,201 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:26,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,202 - INFO - number of orbitals:  55
+2024-12-09 10:29:26,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,202 - INFO - moving on ...
+2024-12-09 10:29:26,202 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:26,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,204 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,204 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:26,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:26,204 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:26,222 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,222 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,223 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:26,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:26,223 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,223 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:26,223 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:26,223 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:26,223 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,223 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:26,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,225 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,225 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,225 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:26,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:26,225 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:26,242 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,243 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,243 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:26,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:26,243 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,243 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:26,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,245 - INFO - number of orbitals:  110
+2024-12-09 10:29:26,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,245 - INFO - moving on ...
+2024-12-09 10:29:26,245 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:26,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,246 - INFO - number of orbitals:  60
+2024-12-09 10:29:26,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,246 - INFO - moving on ...
+2024-12-09 10:29:26,246 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:26,246 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:26,246 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:26,246 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,246 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:26,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,248 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,248 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,248 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:26,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:26,248 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:26,266 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,266 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,266 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:26,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:26,267 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,267 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:26,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,268 - INFO - number of orbitals:  110
+2024-12-09 10:29:26,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,268 - INFO - moving on ...
+2024-12-09 10:29:26,268 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:26,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,270 - INFO - number of orbitals:  60
+2024-12-09 10:29:26,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,270 - INFO - moving on ...
+2024-12-09 10:29:26,270 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:26,270 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:26,270 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:26,270 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,270 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:26,270 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,270 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,271 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,272 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,272 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:26,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:26,273 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:26,289 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,290 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,290 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:26,290 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,290 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,290 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,292 - INFO - number of orbitals:  53
+2024-12-09 10:29:26,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,292 - INFO - moving on ...
+2024-12-09 10:29:26,292 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:26,292 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,292 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,292 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,294 - INFO - number of orbitals:  58
+2024-12-09 10:29:26,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,294 - INFO - moving on ...
+2024-12-09 10:29:26,294 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:26,294 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,294 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,294 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,296 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,296 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:26,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:26,296 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:26,312 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,312 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,312 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:26,312 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,313 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,313 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,315 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,315 - INFO - moving on ...
+2024-12-09 10:29:26,315 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:26,315 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,315 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,315 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,317 - INFO - number of orbitals:  55
+2024-12-09 10:29:26,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,317 - INFO - moving on ...
+2024-12-09 10:29:26,317 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:26,317 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,317 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,317 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,319 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,319 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,319 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:26,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:26,319 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,335 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,336 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,336 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:26,336 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,336 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,336 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,338 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,338 - INFO - moving on ...
+2024-12-09 10:29:26,338 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:26,338 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,338 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,338 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,340 - INFO - number of orbitals:  55
+2024-12-09 10:29:26,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,340 - INFO - moving on ...
+2024-12-09 10:29:26,340 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:26,340 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:26,340 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:26,340 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,340 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:26,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,342 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,342 - INFO - moving on ...
+2024-12-09 10:29:26,342 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:26,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,343 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,343 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,343 - INFO - moving on ...
+2024-12-09 10:29:26,343 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:26,343 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:26,343 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:26,344 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,344 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:26,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,345 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,345 - INFO - moving on ...
+2024-12-09 10:29:26,345 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:26,345 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:26,345 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:26,345 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,345 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:26,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,346 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,346 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,346 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:26,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:26,347 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:26,363 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,363 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,363 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:26,363 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:26,363 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:26,363 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,364 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:26,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,365 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,365 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,365 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:26,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:26,365 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:26,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,382 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,382 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:26,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:26,382 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,382 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:26,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,383 - INFO - number of orbitals:  74
+2024-12-09 10:29:26,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,383 - INFO - moving on ...
+2024-12-09 10:29:26,383 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:26,383 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:26,383 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:26,383 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,384 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:26,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,385 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,385 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,385 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:26,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:26,385 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,401 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,401 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,402 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:26,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:26,402 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,402 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:26,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,403 - INFO - number of orbitals:  90
+2024-12-09 10:29:26,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,403 - INFO - moving on ...
+2024-12-09 10:29:26,403 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:26,403 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:26,404 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:26,404 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,404 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:26,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,405 - INFO - number of orbitals:  69
+2024-12-09 10:29:26,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,405 - INFO - moving on ...
+2024-12-09 10:29:26,405 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:26,405 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:26,405 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:26,405 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,405 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:26,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,406 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,407 - INFO - moving on ...
+2024-12-09 10:29:26,407 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:26,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,408 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,408 - INFO - moving on ...
+2024-12-09 10:29:26,408 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:26,408 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:26,408 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:26,408 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,408 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:26,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,410 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,410 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,410 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:26,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:26,410 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:26,427 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,427 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,427 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:26,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:26,427 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,427 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:26,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,429 - INFO - number of orbitals:  106
+2024-12-09 10:29:26,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,429 - INFO - moving on ...
+2024-12-09 10:29:26,429 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:26,429 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:26,429 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:26,429 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,429 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:26,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,431 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,431 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,431 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:26,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:26,431 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:26,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,448 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,448 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:26,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:26,448 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,448 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:26,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,450 - INFO - number of orbitals:  118
+2024-12-09 10:29:26,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,450 - INFO - moving on ...
+2024-12-09 10:29:26,450 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:26,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,451 - INFO - number of orbitals:  68
+2024-12-09 10:29:26,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,451 - INFO - moving on ...
+2024-12-09 10:29:26,451 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:26,451 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:26,451 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:26,451 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,452 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:26,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,453 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,453 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:26,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:26,453 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:26,469 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,470 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,470 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:26,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:26,470 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,470 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:26,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,471 - INFO - number of orbitals:  114
+2024-12-09 10:29:26,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,472 - INFO - moving on ...
+2024-12-09 10:29:26,472 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:26,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,473 - INFO - number of orbitals:  64
+2024-12-09 10:29:26,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,473 - INFO - moving on ...
+2024-12-09 10:29:26,473 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:26,473 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:26,473 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:26,473 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,473 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:26,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,474 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,475 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,475 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:26,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:26,475 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:26,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,491 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,491 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:26,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:26,491 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,491 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:26,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,493 - INFO - number of orbitals:  115
+2024-12-09 10:29:26,493 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,493 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,493 - INFO - moving on ...
+2024-12-09 10:29:26,493 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:26,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,494 - INFO - number of orbitals:  58
+2024-12-09 10:29:26,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,495 - INFO - moving on ...
+2024-12-09 10:29:26,495 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:26,495 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:26,495 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:26,495 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,495 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:26,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,496 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,496 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,496 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:26,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:26,496 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:26,513 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,513 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,513 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:26,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:26,513 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,514 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:26,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,515 - INFO - number of orbitals:  78
+2024-12-09 10:29:26,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,515 - INFO - moving on ...
+2024-12-09 10:29:26,515 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:26,515 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:26,515 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:26,515 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,516 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:26,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,517 - INFO - number of orbitals:  58
+2024-12-09 10:29:26,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,517 - INFO - moving on ...
+2024-12-09 10:29:26,517 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:26,517 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:26,517 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:26,517 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,517 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:26,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,519 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,519 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,519 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:26,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:26,519 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:26,535 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,535 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,535 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:26,536 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:26,536 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:26,536 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,536 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:26,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,537 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,537 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,537 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:26,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:26,538 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:26,554 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,555 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,555 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:26,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:26,555 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,555 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:26,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,556 - INFO - number of orbitals:  86
+2024-12-09 10:29:26,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,557 - INFO - moving on ...
+2024-12-09 10:29:26,557 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:26,557 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:26,557 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:26,557 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,557 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:26,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,558 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,558 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,558 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,558 - INFO - moving on ...
+2024-12-09 10:29:26,558 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:26,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,560 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,560 - INFO - moving on ...
+2024-12-09 10:29:26,560 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:26,560 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:26,560 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:26,560 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,560 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:26,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,561 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,561 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,562 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:26,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:26,562 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:26,579 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,580 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,580 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:26,580 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:26,580 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:26,580 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,580 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:26,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,582 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,582 - INFO - moving on ...
+2024-12-09 10:29:26,582 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:26,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,583 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,583 - INFO - moving on ...
+2024-12-09 10:29:26,583 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:26,583 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:26,583 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:26,583 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,583 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:26,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,585 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,585 - INFO - moving on ...
+2024-12-09 10:29:26,585 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:26,585 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:26,585 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:26,585 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,585 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:26,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,586 - INFO - number of orbitals:  69
+2024-12-09 10:29:26,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,587 - INFO - moving on ...
+2024-12-09 10:29:26,587 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:26,587 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:26,587 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:26,587 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,587 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:26,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,588 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,588 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,588 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:26,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:26,588 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,605 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,605 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,605 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:26,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:26,606 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,606 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:26,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,607 - INFO - number of orbitals:  116
+2024-12-09 10:29:26,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,607 - INFO - moving on ...
+2024-12-09 10:29:26,607 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:26,608 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:26,608 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:26,608 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,608 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:26,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,609 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,609 - INFO - moving on ...
+2024-12-09 10:29:26,609 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:26,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,610 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,610 - INFO - moving on ...
+2024-12-09 10:29:26,610 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:26,611 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:26,611 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:26,611 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,611 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:26,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,612 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,612 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:26,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:26,612 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:26,629 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,629 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,629 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:26,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:26,629 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,629 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:26,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,631 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,631 - INFO - moving on ...
+2024-12-09 10:29:26,631 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:26,631 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:26,631 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:26,631 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,631 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:26,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,632 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,632 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,633 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:26,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:26,633 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:26,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,649 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,649 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:26,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:26,650 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,650 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:26,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,651 - INFO - number of orbitals:  110
+2024-12-09 10:29:26,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,651 - INFO - moving on ...
+2024-12-09 10:29:26,651 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:26,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,652 - INFO - number of orbitals:  60
+2024-12-09 10:29:26,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,653 - INFO - moving on ...
+2024-12-09 10:29:26,653 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:26,653 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:26,653 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:26,653 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,653 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:26,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,654 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,654 - INFO - moving on ...
+2024-12-09 10:29:26,654 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:26,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,655 - INFO - number of orbitals:  135
+2024-12-09 10:29:26,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,656 - INFO - moving on ...
+2024-12-09 10:29:26,656 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:26,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,657 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,657 - INFO - moving on ...
+2024-12-09 10:29:26,657 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:26,657 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:26,657 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:26,657 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,657 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:26,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,658 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,659 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,659 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:26,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:26,659 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:26,677 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,677 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,677 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:26,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:26,678 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,678 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:26,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,679 - INFO - number of orbitals:  119
+2024-12-09 10:29:26,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,680 - INFO - moving on ...
+2024-12-09 10:29:26,680 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:26,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,681 - INFO - number of orbitals:  62
+2024-12-09 10:29:26,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,681 - INFO - moving on ...
+2024-12-09 10:29:26,681 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:26,681 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:26,681 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:26,681 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,682 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:26,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,683 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,683 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,683 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:26,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:26,683 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:26,700 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,700 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,700 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:26,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:26,700 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,700 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:26,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,702 - INFO - number of orbitals:  64
+2024-12-09 10:29:26,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,702 - INFO - moving on ...
+2024-12-09 10:29:26,702 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:26,702 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:26,702 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:26,702 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,702 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:26,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,704 - INFO - number of orbitals:  52
+2024-12-09 10:29:26,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,704 - INFO - moving on ...
+2024-12-09 10:29:26,704 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:26,704 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:26,704 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:26,704 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,704 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:26,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,705 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,705 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:26,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:26,705 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:26,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,723 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,723 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:26,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:26,723 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,723 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:26,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,725 - INFO - number of orbitals:  89
+2024-12-09 10:29:26,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,725 - INFO - moving on ...
+2024-12-09 10:29:26,725 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:26,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,726 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,726 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,727 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:26,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:26,727 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:26,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,744 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,744 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:26,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:26,744 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,744 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:26,745 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:26,745 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:26,745 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,745 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:26,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,746 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,747 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,747 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:26,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:26,747 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:26,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,765 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,765 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:26,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:26,765 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,765 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:26,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,767 - INFO - number of orbitals:  94
+2024-12-09 10:29:26,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,767 - INFO - moving on ...
+2024-12-09 10:29:26,767 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:26,767 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:26,767 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:26,767 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,767 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:26,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,769 - INFO - number of orbitals:  70
+2024-12-09 10:29:26,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,769 - INFO - moving on ...
+2024-12-09 10:29:26,769 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:26,769 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:26,769 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:26,769 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,769 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:26,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,771 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,771 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,771 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:26,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:26,771 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:26,790 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,791 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,791 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:26,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:26,791 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,791 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:26,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,792 - INFO - number of orbitals:  79
+2024-12-09 10:29:26,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,792 - INFO - moving on ...
+2024-12-09 10:29:26,792 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:26,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,794 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,794 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,794 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:26,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:26,794 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:26,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,810 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,810 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:26,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:26,810 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,810 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:26,810 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:26,810 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:26,810 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,811 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:26,811 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,811 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,811 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,813 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,813 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,813 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:26,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:26,813 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:26,829 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,830 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,830 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:26,830 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,830 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,830 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,832 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,832 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,832 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:26,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:26,832 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:26,849 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,849 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,849 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:26,849 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,849 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,849 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,851 - INFO - number of orbitals:  90
+2024-12-09 10:29:26,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,851 - INFO - moving on ...
+2024-12-09 10:29:26,851 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:26,851 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,852 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,853 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,853 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,854 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:26,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:26,854 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:26,870 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,871 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,871 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:26,871 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,871 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,871 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,873 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,873 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,873 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:26,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:26,873 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:26,889 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,890 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,890 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:26,890 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,890 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,890 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,892 - INFO - number of orbitals:  90
+2024-12-09 10:29:26,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,892 - INFO - moving on ...
+2024-12-09 10:29:26,892 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:26,892 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:26,892 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:26,892 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,892 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:26,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,894 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,894 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:26,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:26,894 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:26,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,910 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,910 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:26,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:26,910 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,910 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:26,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,912 - INFO - number of orbitals:  115
+2024-12-09 10:29:26,912 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,912 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,912 - INFO - moving on ...
+2024-12-09 10:29:26,912 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:26,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,913 - INFO - number of orbitals:  58
+2024-12-09 10:29:26,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,913 - INFO - moving on ...
+2024-12-09 10:29:26,913 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:26,913 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:26,913 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:26,914 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,914 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:26,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,915 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,915 - INFO - moving on ...
+2024-12-09 10:29:26,915 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:26,915 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:26,915 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:26,915 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,915 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:26,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,916 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,916 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,917 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:26,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:26,917 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:26,933 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,933 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,934 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:26,934 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:26,934 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:26,934 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,934 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:26,934 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,934 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,934 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,936 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,936 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,936 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:26,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:26,937 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,953 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,954 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,954 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:26,954 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,954 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,954 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,956 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,956 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,956 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:26,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:26,956 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:26,972 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,973 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,973 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:26,973 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,973 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,973 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,975 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,975 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,975 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:26,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:26,975 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:26,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,992 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,992 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:26,992 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,992 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,992 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,994 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,994 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:26,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:26,994 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:27,010 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,010 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,010 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:27,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,011 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,011 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,013 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,013 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:27,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:27,013 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:27,029 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,029 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,029 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:27,029 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,029 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,029 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,031 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,031 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:27,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:27,031 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,048 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,048 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:27,048 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:27,048 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:27,048 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,048 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:27,048 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,049 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,049 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,050 - INFO - number of orbitals:  69
+2024-12-09 10:29:27,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,051 - INFO - moving on ...
+2024-12-09 10:29:27,051 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:27,051 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,051 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,051 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,053 - INFO - number of orbitals:  70
+2024-12-09 10:29:27,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,053 - INFO - moving on ...
+2024-12-09 10:29:27,053 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:27,053 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,053 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,053 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,055 - INFO - number of orbitals:  69
+2024-12-09 10:29:27,055 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,055 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,055 - INFO - moving on ...
+2024-12-09 10:29:27,055 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:27,055 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:27,055 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:27,055 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,055 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:27,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,056 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,056 - INFO - moving on ...
+2024-12-09 10:29:27,056 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:27,057 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:27,057 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:27,057 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,057 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:27,057 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,057 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,057 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,059 - INFO - number of orbitals:  55
+2024-12-09 10:29:27,059 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,059 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,059 - INFO - moving on ...
+2024-12-09 10:29:27,059 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:27,059 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,059 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,059 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,061 - INFO - number of orbitals:  70
+2024-12-09 10:29:27,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,061 - INFO - moving on ...
+2024-12-09 10:29:27,061 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:27,061 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,061 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,061 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,063 - INFO - number of orbitals:  55
+2024-12-09 10:29:27,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,063 - INFO - moving on ...
+2024-12-09 10:29:27,063 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:27,063 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,063 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,063 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,065 - INFO - number of orbitals:  69
+2024-12-09 10:29:27,065 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,065 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,065 - INFO - moving on ...
+2024-12-09 10:29:27,065 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:27,065 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,065 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,065 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,066 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,067 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,067 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:27,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:27,067 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:27,083 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,084 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,084 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:27,084 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,084 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,084 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,086 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,086 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:27,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:27,086 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:27,103 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,103 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,103 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:27,103 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,103 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,103 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,105 - INFO - number of orbitals:  55
+2024-12-09 10:29:27,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,105 - INFO - moving on ...
+2024-12-09 10:29:27,105 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:27,105 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,106 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,106 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,107 - INFO - number of orbitals:  69
+2024-12-09 10:29:27,107 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,108 - INFO - moving on ...
+2024-12-09 10:29:27,108 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:27,108 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,108 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,108 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,110 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,110 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,110 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:27,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:27,110 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:27,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,127 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,127 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:27,127 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,127 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,129 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,129 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:27,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:27,129 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:27,146 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,146 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,146 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:27,146 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,147 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,147 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,149 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,149 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:27,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:27,149 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:27,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,165 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,165 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:27,166 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,166 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,166 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,168 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,168 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:27,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:27,168 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:27,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,184 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,185 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:27,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,187 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,187 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,187 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:27,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:27,187 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:27,203 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,203 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,204 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:27,204 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,204 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,204 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,206 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,206 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,206 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:27,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:27,206 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:27,222 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,223 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,223 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:27,223 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,223 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,223 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,225 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,225 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,225 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:27,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:27,225 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:27,242 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,242 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,242 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:27,242 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,242 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,242 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,244 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,245 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,245 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:27,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:27,245 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:27,261 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,262 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,262 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:27,262 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:27,262 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:27,262 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,262 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:27,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,264 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,264 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,264 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:27,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:27,264 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:27,280 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,281 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,281 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:27,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:27,281 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,281 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:27,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,283 - INFO - number of orbitals:  90
+2024-12-09 10:29:27,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,283 - INFO - moving on ...
+2024-12-09 10:29:27,283 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:27,283 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:27,283 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:27,283 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,283 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:27,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,284 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,284 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,284 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:27,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:27,285 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:27,301 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,301 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,301 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:27,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:27,301 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,301 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:27,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,303 - INFO - number of orbitals:  118
+2024-12-09 10:29:27,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,303 - INFO - moving on ...
+2024-12-09 10:29:27,303 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:27,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,304 - INFO - number of orbitals:  68
+2024-12-09 10:29:27,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,305 - INFO - moving on ...
+2024-12-09 10:29:27,305 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:27,305 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:27,305 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:27,305 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,305 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:27,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,306 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,306 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,306 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:27,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:27,306 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:27,324 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,324 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,324 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:27,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:27,324 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,324 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:27,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,326 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,326 - INFO - moving on ...
+2024-12-09 10:29:27,326 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:27,326 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:27,326 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:27,327 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,327 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:27,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,328 - INFO - number of orbitals:  66
+2024-12-09 10:29:27,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,328 - INFO - moving on ...
+2024-12-09 10:29:27,328 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:27,329 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:27,329 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:27,329 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,329 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:27,329 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,329 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,329 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,331 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,331 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:27,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:27,331 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:27,349 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,349 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,349 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:27,349 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,350 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,350 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,352 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,352 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,352 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:27,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:27,352 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:27,369 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,370 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,370 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:27,370 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,370 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,370 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,372 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,372 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,372 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:27,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:27,372 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,389 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,389 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,390 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:27,390 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,390 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,390 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,392 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,392 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,392 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:27,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:27,392 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,409 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,409 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:27,409 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,410 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,410 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,412 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,412 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,412 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:27,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:27,412 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:27,428 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,429 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,429 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:27,429 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,429 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,429 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,431 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,431 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,431 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:27,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:27,431 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:27,448 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,449 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,449 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:27,449 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,449 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,449 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,451 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,452 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,452 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:27,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:27,452 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:27,475 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,475 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,475 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:27,476 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,476 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,476 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,479 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,479 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,479 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:27,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:27,479 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:27,497 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,497 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,497 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:27,497 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,498 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,498 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,500 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,500 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,500 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:27,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:27,500 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:27,522 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,523 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,523 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:27,523 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,523 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,523 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,526 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,526 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:27,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:27,527 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:27,546 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,546 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,546 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:27,546 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,546 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,547 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,548 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,548 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,549 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:27,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:27,549 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,565 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,565 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,565 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:27,565 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,565 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,565 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,567 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,567 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,567 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:27,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:27,567 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:27,584 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,584 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,584 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:27,584 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:27,584 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:27,584 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,584 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:27,585 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,585 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,585 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,587 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,587 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,587 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:27,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:27,587 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:27,603 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,603 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,603 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:27,603 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,605 - INFO - number of orbitals:  108
+2024-12-09 10:29:27,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,605 - INFO - moving on ...
+2024-12-09 10:29:27,605 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:27,606 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:27,606 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:27,606 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,606 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:27,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,607 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,607 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,607 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:27,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:27,607 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:27,624 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,624 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,624 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:27,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:27,624 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,624 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:27,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,626 - INFO - number of orbitals:  135
+2024-12-09 10:29:27,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,626 - INFO - moving on ...
+2024-12-09 10:29:27,626 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:27,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,627 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,627 - INFO - moving on ...
+2024-12-09 10:29:27,627 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:27,627 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:27,627 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:27,627 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,627 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:27,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,629 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,629 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,629 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:27,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:27,629 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:27,645 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,645 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,645 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:27,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:27,645 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,645 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:27,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,647 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,647 - INFO - moving on ...
+2024-12-09 10:29:27,647 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:27,647 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:27,647 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:27,647 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,647 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:27,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,648 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,648 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:27,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:27,648 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:27,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,664 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,664 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:27,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:27,665 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,665 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:27,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,666 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,666 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,666 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,666 - INFO - moving on ...
+2024-12-09 10:29:27,666 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:27,666 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:27,667 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:27,667 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,667 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:27,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,668 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,668 - INFO - moving on ...
+2024-12-09 10:29:27,668 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:27,668 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:27,668 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:27,668 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,668 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:27,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,669 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,670 - INFO - moving on ...
+2024-12-09 10:29:27,670 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:27,670 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:27,670 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:27,670 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,670 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:27,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,671 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,671 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,671 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:27,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:27,671 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:27,687 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,688 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,688 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:27,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:27,688 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,688 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:27,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,689 - INFO - number of orbitals:  118
+2024-12-09 10:29:27,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,689 - INFO - moving on ...
+2024-12-09 10:29:27,689 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:27,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,691 - INFO - number of orbitals:  68
+2024-12-09 10:29:27,691 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,691 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,691 - INFO - moving on ...
+2024-12-09 10:29:27,691 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:27,691 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:27,691 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:27,691 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,691 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:27,691 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,691 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,691 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,693 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,693 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,693 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:27,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:27,693 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,709 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,710 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,710 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:27,710 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,710 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,710 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,712 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,712 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,712 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:27,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:27,712 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:27,728 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,728 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,728 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:27,728 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,728 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,728 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,730 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,730 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,730 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:27,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:27,731 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:27,747 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,747 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,748 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:27,748 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,748 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,748 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,750 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,750 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,750 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:27,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:27,750 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,766 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,766 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,767 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:27,767 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,767 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,767 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,769 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,769 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,769 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:27,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:27,769 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:27,785 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,785 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,785 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:27,785 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,785 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,785 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,788 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,788 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,788 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:27,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:27,788 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:27,805 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,805 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,805 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:27,805 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,805 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,805 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,807 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,807 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,807 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:27,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:27,808 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:27,824 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,824 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,824 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:27,824 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,824 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,824 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,826 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,826 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,826 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:27,826 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:27,827 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:27,843 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,843 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,844 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:27,844 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:27,844 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:27,844 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,844 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:27,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,845 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,845 - INFO - moving on ...
+2024-12-09 10:29:27,846 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:27,846 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:27,846 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:27,846 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,846 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:27,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,847 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,847 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,847 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:27,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:27,847 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:27,864 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,864 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,864 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:27,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:27,864 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,865 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:27,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,866 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,866 - INFO - moving on ...
+2024-12-09 10:29:27,866 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:27,866 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:27,866 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:27,866 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,866 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:27,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,868 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,868 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:27,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:27,868 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:27,885 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,885 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,885 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:27,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:27,885 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,885 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:27,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,887 - INFO - number of orbitals:  119
+2024-12-09 10:29:27,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,887 - INFO - moving on ...
+2024-12-09 10:29:27,887 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:27,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,888 - INFO - number of orbitals:  62
+2024-12-09 10:29:27,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,888 - INFO - moving on ...
+2024-12-09 10:29:27,888 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:27,889 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:27,889 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:27,889 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,889 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:27,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,890 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,890 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:27,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:27,890 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:27,906 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,907 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,907 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:27,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:27,907 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,907 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:27,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,908 - INFO - number of orbitals:  135
+2024-12-09 10:29:27,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,909 - INFO - moving on ...
+2024-12-09 10:29:27,909 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:27,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,910 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,910 - INFO - moving on ...
+2024-12-09 10:29:27,910 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:27,910 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:27,910 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:27,910 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,910 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:27,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,911 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,911 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:27,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:27,912 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:27,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,928 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,928 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:27,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:27,929 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,929 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:27,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,930 - INFO - number of orbitals:  118
+2024-12-09 10:29:27,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,930 - INFO - moving on ...
+2024-12-09 10:29:27,930 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:27,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,931 - INFO - number of orbitals:  68
+2024-12-09 10:29:27,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,932 - INFO - moving on ...
+2024-12-09 10:29:27,932 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:27,932 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:27,932 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:27,932 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,932 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:27,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,933 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,933 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,933 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:27,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:27,933 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:27,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,949 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,949 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:27,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:27,949 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,949 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:27,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,951 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,951 - INFO - moving on ...
+2024-12-09 10:29:27,951 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:27,951 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:27,951 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:27,951 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,951 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:27,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,953 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,953 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:27,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:27,953 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:27,970 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,970 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,970 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:27,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:27,970 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,970 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:27,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,972 - INFO - number of orbitals:  110
+2024-12-09 10:29:27,972 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,972 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,972 - INFO - moving on ...
+2024-12-09 10:29:27,972 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:27,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,973 - INFO - number of orbitals:  60
+2024-12-09 10:29:27,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,973 - INFO - moving on ...
+2024-12-09 10:29:27,973 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:27,974 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:27,974 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:27,974 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,974 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:27,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,975 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,975 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,975 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:27,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:27,975 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:27,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,991 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,991 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:27,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:27,992 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,992 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:27,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,993 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,993 - INFO - moving on ...
+2024-12-09 10:29:27,993 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:27,993 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:27,993 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:27,993 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,993 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:27,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,995 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,995 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,995 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:27,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:27,995 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:28,012 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,012 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,012 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:28,013 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:28,013 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:28,013 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,013 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:28,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,014 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,014 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,014 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:28,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:28,015 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:28,031 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,031 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,031 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:28,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:28,031 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,031 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:28,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,033 - INFO - number of orbitals:  88
+2024-12-09 10:29:28,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,033 - INFO - moving on ...
+2024-12-09 10:29:28,033 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:28,033 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:28,033 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:28,033 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,033 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:28,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,034 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,034 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,034 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:28,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:28,034 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:28,050 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,051 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,051 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:28,051 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:28,051 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:28,051 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,051 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:28,051 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,051 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,051 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,053 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,053 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:28,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:28,053 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,070 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,070 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,070 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:28,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,072 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,073 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:28,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:28,073 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:28,089 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,090 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,090 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:28,090 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,090 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,090 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,092 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,092 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,092 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:28,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:28,092 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,109 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,110 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,110 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:28,110 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,110 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,110 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,112 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,112 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,112 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:28,112 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:28,112 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:28,129 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,129 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,129 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:28,129 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:28,129 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:28,129 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,129 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:28,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,131 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,131 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,131 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:28,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:28,131 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,147 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,148 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,148 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:28,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:28,148 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,148 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:28,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,150 - INFO - number of orbitals:  85
+2024-12-09 10:29:28,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,150 - INFO - moving on ...
+2024-12-09 10:29:28,150 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:28,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,151 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,151 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:28,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:28,151 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:28,167 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,168 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,168 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:28,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:28,168 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,168 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:28,168 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:28,168 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:28,168 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,168 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:28,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,170 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,170 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:28,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:28,170 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:28,186 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,186 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,186 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:28,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:28,186 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,186 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:28,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,188 - INFO - number of orbitals:  110
+2024-12-09 10:29:28,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,188 - INFO - moving on ...
+2024-12-09 10:29:28,188 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:28,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,189 - INFO - number of orbitals:  60
+2024-12-09 10:29:28,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,189 - INFO - moving on ...
+2024-12-09 10:29:28,189 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:28,189 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:28,189 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:28,189 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,189 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:28,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,191 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,191 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:28,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:28,191 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:28,207 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,208 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,208 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:28,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:28,208 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,208 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:28,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,210 - INFO - number of orbitals:  85
+2024-12-09 10:29:28,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,210 - INFO - moving on ...
+2024-12-09 10:29:28,210 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:28,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,212 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,212 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,212 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:28,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:28,212 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:28,229 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,230 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,230 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:28,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:28,230 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,230 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:28,230 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:28,230 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:28,230 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,230 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:28,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,232 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,232 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,232 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:28,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:28,232 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:28,249 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,249 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,249 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:28,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:28,250 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,250 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:28,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,251 - INFO - number of orbitals:  88
+2024-12-09 10:29:28,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,251 - INFO - moving on ...
+2024-12-09 10:29:28,251 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:28,251 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:28,252 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:28,252 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,252 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:28,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,253 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,253 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,253 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:28,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:28,253 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:28,270 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,270 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,270 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:28,271 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:28,271 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:28,271 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,271 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:28,271 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,271 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,271 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,273 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,273 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,273 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:28,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:28,273 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:28,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,290 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,290 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:28,290 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,290 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,290 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,292 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,292 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:28,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:28,292 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:28,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,309 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,309 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:28,309 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,309 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,309 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,311 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,311 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:28,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:28,311 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:28,328 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,328 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,328 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:28,328 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,329 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,329 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,330 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,331 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,331 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:28,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:28,331 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:28,347 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,347 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,347 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:28,347 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,348 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,348 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,350 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,350 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,350 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:28,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:28,350 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:28,366 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,367 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,367 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:28,367 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,367 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,367 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,369 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,369 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:28,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:28,369 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:28,386 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,386 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,386 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:28,386 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,386 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,386 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,388 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,389 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,389 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:28,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:28,389 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:28,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,406 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,406 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:28,406 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,406 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,406 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,408 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,408 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,408 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:28,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:28,409 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:28,425 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,426 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,426 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:28,426 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,426 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,426 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,428 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,428 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:28,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:28,428 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:28,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,445 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,445 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:28,445 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:28,445 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:28,445 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,445 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:28,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,447 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,447 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,447 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:28,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:28,447 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:28,463 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,464 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,464 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:28,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:28,464 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,464 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:28,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,465 - INFO - number of orbitals:  88
+2024-12-09 10:29:28,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,465 - INFO - moving on ...
+2024-12-09 10:29:28,465 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:28,466 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:28,466 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:28,466 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,466 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:28,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,467 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,467 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,467 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:28,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:28,467 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:28,483 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,484 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,484 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:28,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:28,484 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,484 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:28,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,485 - INFO - number of orbitals:  72
+2024-12-09 10:29:28,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,485 - INFO - moving on ...
+2024-12-09 10:29:28,486 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:28,486 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:28,486 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:28,486 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,486 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:28,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,487 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,487 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,487 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:28,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:28,487 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:28,504 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,505 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,505 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:28,505 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:28,505 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:28,505 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,505 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:28,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,507 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,507 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:28,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:28,507 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:28,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,524 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,524 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:28,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:28,524 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,524 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:28,524 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:28,524 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:28,524 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,524 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:28,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,526 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,526 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:28,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:28,526 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:28,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,542 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,543 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:28,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:28,543 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,543 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:28,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,544 - INFO - number of orbitals:  116
+2024-12-09 10:29:28,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,544 - INFO - moving on ...
+2024-12-09 10:29:28,545 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:28,545 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:28,545 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:28,545 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,545 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:28,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,547 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,547 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:28,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:28,547 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,568 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,568 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:28,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:28,568 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,568 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:28,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,570 - INFO - number of orbitals:  79
+2024-12-09 10:29:28,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,570 - INFO - moving on ...
+2024-12-09 10:29:28,570 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:28,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,572 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,572 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:28,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:28,572 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:28,593 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,594 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,594 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:28,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:28,594 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,594 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:28,594 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:28,594 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:28,594 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,594 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:28,595 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,595 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,595 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,597 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,597 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,597 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:28,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:28,597 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:28,619 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,619 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,619 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:28,619 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,620 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,620 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,622 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,622 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,622 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:28,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:28,622 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:28,644 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,644 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,644 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:28,645 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,645 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,645 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,647 - INFO - number of orbitals:  68
+2024-12-09 10:29:28,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,648 - INFO - moving on ...
+2024-12-09 10:29:28,648 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:28,648 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,648 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,650 - INFO - number of orbitals:  76
+2024-12-09 10:29:28,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,650 - INFO - moving on ...
+2024-12-09 10:29:28,650 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:28,650 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,651 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,651 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,653 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,653 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,653 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:28,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:28,653 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:28,674 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,675 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,675 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:28,675 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,675 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,675 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,678 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,678 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,678 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:28,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:28,678 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:28,696 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,697 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,697 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:28,697 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,697 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,697 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,698 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,699 - INFO - number of orbitals:  68
+2024-12-09 10:29:28,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,699 - INFO - moving on ...
+2024-12-09 10:29:28,699 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:28,699 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,699 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,699 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,701 - INFO - number of orbitals:  76
+2024-12-09 10:29:28,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,701 - INFO - moving on ...
+2024-12-09 10:29:28,701 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:28,701 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,704 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,704 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,704 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:28,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:28,704 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:28,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,726 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,726 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:28,726 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,726 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,726 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,729 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,729 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:28,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:28,729 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,750 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,751 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,751 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:28,751 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,751 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,751 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,754 - INFO - number of orbitals:  68
+2024-12-09 10:29:28,754 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,754 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,754 - INFO - moving on ...
+2024-12-09 10:29:28,754 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:28,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,754 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,754 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,756 - INFO - number of orbitals:  76
+2024-12-09 10:29:28,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,757 - INFO - moving on ...
+2024-12-09 10:29:28,757 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:28,757 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:28,757 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:28,757 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,757 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:28,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,759 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,759 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,759 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:28,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:28,759 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:28,780 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,781 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,781 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:28,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:28,781 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,781 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:28,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,783 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,783 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,783 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:28,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:28,783 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:28,805 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,805 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,806 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:28,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:28,806 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,806 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:28,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,808 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,808 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,808 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:28,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:28,808 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:28,825 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,825 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,825 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:28,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:28,825 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,825 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:28,825 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:28,826 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:28,826 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,826 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:28,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,827 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,827 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,827 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:28,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:28,827 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:28,844 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,844 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,844 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:28,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:28,844 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,844 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:28,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,846 - INFO - number of orbitals:  110
+2024-12-09 10:29:28,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,846 - INFO - moving on ...
+2024-12-09 10:29:28,846 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:28,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,847 - INFO - number of orbitals:  60
+2024-12-09 10:29:28,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,847 - INFO - moving on ...
+2024-12-09 10:29:28,847 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:28,847 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:28,848 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:28,848 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,848 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:28,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,849 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,849 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,849 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:28,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:28,849 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:28,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,866 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,866 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:28,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:28,866 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,866 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:28,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,868 - INFO - number of orbitals:  110
+2024-12-09 10:29:28,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,868 - INFO - moving on ...
+2024-12-09 10:29:28,868 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:28,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,869 - INFO - number of orbitals:  60
+2024-12-09 10:29:28,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,869 - INFO - moving on ...
+2024-12-09 10:29:28,869 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:28,870 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:28,870 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:28,870 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,870 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:28,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,870 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,872 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,872 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:28,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:28,872 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:28,888 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,889 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,889 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:28,889 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,889 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,889 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,891 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,891 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,891 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:28,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:28,891 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:28,908 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,909 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,909 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:28,909 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,909 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,909 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,911 - INFO - number of orbitals:  58
+2024-12-09 10:29:28,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,911 - INFO - moving on ...
+2024-12-09 10:29:28,911 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:28,911 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,911 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,911 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,913 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,913 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:28,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:28,913 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:28,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,929 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,929 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:28,929 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,929 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,929 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,931 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,931 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,931 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:28,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:28,932 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:28,948 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,948 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,948 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:28,948 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,949 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,949 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,951 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,951 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,951 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:28,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:28,951 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:28,967 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,967 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,967 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:28,967 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,967 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,968 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,969 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,970 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,970 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:28,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:28,970 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,986 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,986 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,986 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:28,986 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,986 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,986 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,988 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,988 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,989 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:28,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:28,989 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:29,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,005 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,005 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:29,005 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,006 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,006 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,007 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,007 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,008 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:29,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:29,008 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:29,023 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,024 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,024 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:29,024 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:29,024 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:29,024 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,024 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:29,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,026 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,026 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,026 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:29,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:29,026 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:29,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,043 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,044 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:29,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:29,044 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,044 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:29,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,045 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,045 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,046 - INFO - moving on ...
+2024-12-09 10:29:29,046 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:29,046 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:29,046 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:29,046 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,046 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:29,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,047 - INFO - number of orbitals:  76
+2024-12-09 10:29:29,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,047 - INFO - moving on ...
+2024-12-09 10:29:29,047 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:29,047 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:29,047 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:29,048 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,048 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:29,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,049 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,049 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,049 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:29,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:29,049 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:29,067 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,067 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,067 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:29,068 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:29,068 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:29,068 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,068 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:29,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,070 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,070 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,070 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:29,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:29,070 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:29,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,089 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,089 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:29,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:29,089 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,089 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:29,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,090 - INFO - number of orbitals:  74
+2024-12-09 10:29:29,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,090 - INFO - moving on ...
+2024-12-09 10:29:29,091 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:29,091 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:29,091 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:29,091 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,091 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:29,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,092 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,092 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,092 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:29,093 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:29,093 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:29,110 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,110 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,110 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:29,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:29,110 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,110 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:29,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,112 - INFO - number of orbitals:  90
+2024-12-09 10:29:29,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,112 - INFO - moving on ...
+2024-12-09 10:29:29,112 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:29,112 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:29,112 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:29,112 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,112 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:29,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,113 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,113 - INFO - moving on ...
+2024-12-09 10:29:29,113 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:29,114 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:29,114 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:29,114 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,114 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:29,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,115 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,115 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,115 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:29,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:29,115 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:29,131 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,131 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,131 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:29,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:29,131 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,131 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:29,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,133 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,133 - INFO - moving on ...
+2024-12-09 10:29:29,133 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:29,133 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:29,133 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:29,133 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,133 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:29,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,135 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,135 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,135 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:29,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:29,135 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:29,151 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,152 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,152 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:29,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:29,152 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,152 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:29,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,153 - INFO - number of orbitals:  106
+2024-12-09 10:29:29,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,154 - INFO - moving on ...
+2024-12-09 10:29:29,154 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:29,154 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:29,154 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:29,154 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,154 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:29,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,155 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,156 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,156 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:29,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:29,156 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:29,172 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,172 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,172 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:29,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:29,172 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,172 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:29,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,174 - INFO - number of orbitals:  118
+2024-12-09 10:29:29,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,174 - INFO - moving on ...
+2024-12-09 10:29:29,174 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:29,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,175 - INFO - number of orbitals:  68
+2024-12-09 10:29:29,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,175 - INFO - moving on ...
+2024-12-09 10:29:29,175 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:29,176 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:29,176 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:29,176 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,176 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:29,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,177 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,177 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,177 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:29,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:29,177 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:29,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,193 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,193 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:29,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:29,193 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,193 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:29,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,195 - INFO - number of orbitals:  114
+2024-12-09 10:29:29,195 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,195 - INFO - moving on ...
+2024-12-09 10:29:29,195 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:29,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,196 - INFO - number of orbitals:  64
+2024-12-09 10:29:29,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,196 - INFO - moving on ...
+2024-12-09 10:29:29,196 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:29,197 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:29,197 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:29,197 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,197 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:29,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,198 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,198 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,198 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:29,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:29,198 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:29,213 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,214 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,214 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:29,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:29,214 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,214 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:29,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,216 - INFO - number of orbitals:  115
+2024-12-09 10:29:29,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,216 - INFO - moving on ...
+2024-12-09 10:29:29,216 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:29,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,217 - INFO - number of orbitals:  58
+2024-12-09 10:29:29,217 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,217 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,217 - INFO - moving on ...
+2024-12-09 10:29:29,217 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:29,217 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:29,217 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:29,217 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,217 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:29,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,219 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,219 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,219 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:29,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:29,219 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:29,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,236 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,236 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:29,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:29,236 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,236 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:29,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,237 - INFO - number of orbitals:  78
+2024-12-09 10:29:29,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,238 - INFO - moving on ...
+2024-12-09 10:29:29,238 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:29,238 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:29,238 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:29,238 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,238 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:29,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,239 - INFO - number of orbitals:  58
+2024-12-09 10:29:29,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,239 - INFO - moving on ...
+2024-12-09 10:29:29,239 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:29,239 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:29,239 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:29,239 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,240 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:29,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,241 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,241 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,241 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:29,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:29,241 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:29,258 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,258 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,258 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:29,258 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:29,258 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:29,258 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,258 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:29,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,260 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,260 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,260 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:29,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:29,260 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:29,277 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,277 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,277 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:29,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:29,278 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,278 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:29,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,279 - INFO - number of orbitals:  86
+2024-12-09 10:29:29,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,279 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,279 - INFO - moving on ...
+2024-12-09 10:29:29,279 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:29,279 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:29,279 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:29,279 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,280 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:29,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,281 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,281 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,281 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:29,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:29,281 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:29,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,299 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,299 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:29,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:29,299 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,299 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:29,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,301 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,301 - INFO - moving on ...
+2024-12-09 10:29:29,301 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:29,301 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:29,301 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:29,301 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,301 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:29,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,303 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,303 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,303 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:29,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:29,303 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:29,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,320 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,320 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:29,320 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:29,320 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:29,320 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,320 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:29,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,322 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,322 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,322 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:29,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:29,322 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:29,338 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,339 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,339 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:29,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:29,339 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,339 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:29,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,340 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,340 - INFO - moving on ...
+2024-12-09 10:29:29,340 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:29,341 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:29,341 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:29,341 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,341 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:29,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,342 - INFO - number of orbitals:  76
+2024-12-09 10:29:29,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,342 - INFO - moving on ...
+2024-12-09 10:29:29,342 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:29,342 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:29,342 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:29,342 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,342 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:29,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,344 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,344 - INFO - moving on ...
+2024-12-09 10:29:29,344 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:29,344 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:29,344 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:29,344 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,345 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:29,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,346 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,346 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,346 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:29,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:29,346 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:29,363 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,364 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,364 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:29,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:29,364 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,364 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:29,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,366 - INFO - number of orbitals:  116
+2024-12-09 10:29:29,366 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,366 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,366 - INFO - moving on ...
+2024-12-09 10:29:29,366 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:29,366 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:29,366 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:29,366 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,366 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:29,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,368 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,368 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,368 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:29,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:29,368 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:29,385 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,385 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,385 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:29,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:29,386 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,386 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:29,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,387 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,387 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,387 - INFO - moving on ...
+2024-12-09 10:29:29,387 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:29,388 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:29,388 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:29,388 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,388 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:29,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,389 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,389 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,389 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:29,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:29,389 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:29,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,406 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,406 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:29,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:29,406 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,406 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:29,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,408 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,408 - INFO - moving on ...
+2024-12-09 10:29:29,408 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:29,408 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:29,408 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:29,408 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,408 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:29,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,410 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,410 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,410 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:29,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:29,410 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:29,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,431 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,431 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:29,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:29,431 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,431 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:29,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,433 - INFO - number of orbitals:  110
+2024-12-09 10:29:29,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,433 - INFO - moving on ...
+2024-12-09 10:29:29,433 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:29,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,435 - INFO - number of orbitals:  60
+2024-12-09 10:29:29,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,436 - INFO - moving on ...
+2024-12-09 10:29:29,436 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:29,436 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:29,436 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:29,436 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,436 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:29,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,437 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,437 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,437 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:29,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:29,437 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:29,454 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,454 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,454 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:29,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:29,454 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,454 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:29,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,456 - INFO - number of orbitals:  135
+2024-12-09 10:29:29,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,456 - INFO - moving on ...
+2024-12-09 10:29:29,456 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:29,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,457 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,457 - INFO - moving on ...
+2024-12-09 10:29:29,458 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:29,458 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:29,458 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:29,458 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,458 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:29,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,459 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,459 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,459 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:29,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:29,459 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:29,476 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,476 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,477 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:29,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:29,477 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,477 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:29,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,478 - INFO - number of orbitals:  119
+2024-12-09 10:29:29,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,478 - INFO - moving on ...
+2024-12-09 10:29:29,478 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:29,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,480 - INFO - number of orbitals:  62
+2024-12-09 10:29:29,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,480 - INFO - moving on ...
+2024-12-09 10:29:29,480 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:29,480 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:29,480 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:29,480 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,480 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:29,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,481 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,481 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,482 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:29,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:29,482 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:29,499 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,499 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,499 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:29,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:29,499 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,499 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:29,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,501 - INFO - number of orbitals:  64
+2024-12-09 10:29:29,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,501 - INFO - moving on ...
+2024-12-09 10:29:29,501 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:29,501 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:29,501 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:29,501 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,501 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:29,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,503 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,503 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:29,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:29,503 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:29,519 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,519 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,519 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:29,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:29,519 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,520 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:29,520 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:29,520 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:29,520 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,520 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:29,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,521 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,521 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,521 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:29,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:29,521 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:29,538 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,538 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,538 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:29,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:29,538 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,538 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:29,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,540 - INFO - number of orbitals:  89
+2024-12-09 10:29:29,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,540 - INFO - moving on ...
+2024-12-09 10:29:29,540 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:29,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,541 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,541 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,541 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:29,541 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:29,541 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:29,557 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,557 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,558 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:29,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:29,558 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,558 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:29,558 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:29,558 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:29,558 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,558 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:29,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,560 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,560 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,560 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:29,560 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:29,560 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:29,576 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,577 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,577 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:29,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:29,577 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,577 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:29,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,578 - INFO - number of orbitals:  94
+2024-12-09 10:29:29,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,579 - INFO - moving on ...
+2024-12-09 10:29:29,579 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:29,579 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:29,579 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:29,579 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,579 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:29,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,580 - INFO - number of orbitals:  70
+2024-12-09 10:29:29,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,580 - INFO - moving on ...
+2024-12-09 10:29:29,580 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:29,581 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:29,581 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:29,581 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,581 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:29,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,582 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,582 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:29,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:29,582 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:29,598 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,599 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,599 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:29,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:29,599 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,599 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:29,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,601 - INFO - number of orbitals:  79
+2024-12-09 10:29:29,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,601 - INFO - moving on ...
+2024-12-09 10:29:29,601 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:29,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,602 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,603 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,603 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:29,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:29,603 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:29,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,621 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,621 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:29,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:29,621 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,621 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:29,621 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:29,622 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:29,622 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,622 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:29,622 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,622 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,622 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,624 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,624 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,624 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:29,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:29,624 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:29,641 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,641 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,641 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:29,641 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,642 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,642 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,643 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,643 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,644 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:29,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:29,644 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:29,660 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,660 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,660 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:29,660 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,661 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,661 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,662 - INFO - number of orbitals:  90
+2024-12-09 10:29:29,663 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,663 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,663 - INFO - moving on ...
+2024-12-09 10:29:29,663 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:29,663 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,663 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,663 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,665 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,665 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,665 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:29,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:29,665 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:29,683 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,683 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,684 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:29,684 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,684 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,684 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,686 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,686 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,686 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:29,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:29,686 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:29,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,702 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,703 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:29,703 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,703 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,703 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,705 - INFO - number of orbitals:  90
+2024-12-09 10:29:29,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,705 - INFO - moving on ...
+2024-12-09 10:29:29,705 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:29,705 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:29,705 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:29,705 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,705 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:29,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,706 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,706 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,706 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:29,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:29,706 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:29,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,722 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,722 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:29,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:29,722 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,723 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:29,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,724 - INFO - number of orbitals:  115
+2024-12-09 10:29:29,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,724 - INFO - moving on ...
+2024-12-09 10:29:29,724 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:29,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,725 - INFO - number of orbitals:  58
+2024-12-09 10:29:29,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,725 - INFO - moving on ...
+2024-12-09 10:29:29,725 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:29,726 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:29,726 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:29,726 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,726 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:29,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,727 - INFO - number of orbitals:  76
+2024-12-09 10:29:29,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,727 - INFO - moving on ...
+2024-12-09 10:29:29,727 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:29,727 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:29,727 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:29,727 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,727 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:29,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,728 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,728 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,729 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:29,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:29,729 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:29,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,744 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,744 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:29,744 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:29,745 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:29,745 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,745 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:29,745 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,745 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,745 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,747 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,747 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,747 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:29,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:29,747 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:29,762 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,763 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,763 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:29,763 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,763 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,763 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,765 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,765 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,765 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:29,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:29,765 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:29,781 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,781 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,781 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:29,781 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,782 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,782 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,784 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,784 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,784 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:29,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:29,784 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:29,802 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,802 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,802 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:29,802 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,802 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,802 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,804 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,804 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,804 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:29,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:29,804 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:29,820 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,821 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,821 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:29,821 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,821 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,821 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,823 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,823 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,823 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:29,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:29,823 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:29,839 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,839 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,839 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:29,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,839 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,839 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,841 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,841 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:29,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:29,841 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:29,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,857 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,857 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:29,857 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:29,858 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:29,858 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,858 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:29,858 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,858 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,858 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,860 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,860 - INFO - moving on ...
+2024-12-09 10:29:29,860 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:29,860 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,860 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,860 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,862 - INFO - number of orbitals:  70
+2024-12-09 10:29:29,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,862 - INFO - moving on ...
+2024-12-09 10:29:29,862 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:29,862 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,862 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,862 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,864 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,864 - INFO - moving on ...
+2024-12-09 10:29:29,864 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:29,864 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:29,864 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:29,864 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,864 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:29,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,865 - INFO - number of orbitals:  76
+2024-12-09 10:29:29,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,865 - INFO - moving on ...
+2024-12-09 10:29:29,865 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:29,866 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:29,866 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:29,866 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,866 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:29,866 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,866 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,866 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,868 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,868 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:29,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:29,868 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:29,884 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,884 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,884 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:29,884 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,884 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,884 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,886 - INFO - number of orbitals:  70
+2024-12-09 10:29:29,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,887 - INFO - moving on ...
+2024-12-09 10:29:29,887 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:29,887 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,887 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,887 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,889 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,889 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,889 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:29,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:29,889 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:29,905 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,905 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,905 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:29,905 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,905 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,905 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,907 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,907 - INFO - moving on ...
+2024-12-09 10:29:29,907 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:29,907 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,908 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,908 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,909 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,909 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,909 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:29,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:29,909 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:29,925 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,925 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,925 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:29,925 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,925 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,925 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,927 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,927 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:29,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:29,927 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:29,943 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,943 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,943 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:29,943 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,944 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,944 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,945 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,946 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:29,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:29,946 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:29,961 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,961 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,961 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:29,961 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,962 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,962 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,963 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,964 - INFO - moving on ...
+2024-12-09 10:29:29,964 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:29,964 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,964 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,964 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,966 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,966 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:29,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:29,966 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:29,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,982 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,982 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:29,982 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,982 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,982 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,984 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,984 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:29,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:29,984 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:30,002 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,003 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,003 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:30,003 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,003 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,003 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,005 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,005 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,005 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:30,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:30,005 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:30,021 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,021 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,021 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:30,021 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,021 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,021 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,023 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,023 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,023 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:30,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:30,023 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:30,039 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,040 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,040 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:30,040 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,040 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,040 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,042 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,042 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,042 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:30,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:30,042 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:30,058 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,058 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,058 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:30,058 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,058 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,059 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,060 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,060 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:30,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:30,061 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:30,076 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,077 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,077 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:30,077 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,077 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,077 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,079 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,079 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:30,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:30,079 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:30,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,096 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,096 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:30,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,098 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:30,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:30,098 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:30,113 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,114 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,114 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:30,114 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:30,114 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:30,114 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,114 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:30,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,115 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,116 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,116 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:30,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:30,116 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:30,131 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,131 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,131 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:30,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:30,131 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,131 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:30,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,133 - INFO - number of orbitals:  90
+2024-12-09 10:29:30,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:30,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,133 - INFO - moving on ...
+2024-12-09 10:29:30,133 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:30,133 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:30,133 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:30,133 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,133 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:30,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,135 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,135 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,135 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:30,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:30,135 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:30,150 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,151 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,151 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:30,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:30,151 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,151 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:30,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,152 - INFO - number of orbitals:  118
+2024-12-09 10:29:30,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,153 - INFO - moving on ...
+2024-12-09 10:29:30,153 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:30,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,154 - INFO - number of orbitals:  68
+2024-12-09 10:29:30,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,154 - INFO - moving on ...
+2024-12-09 10:29:30,154 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:30,154 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:30,154 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:30,154 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,154 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:30,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,155 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,156 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,156 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:30,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:30,156 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:30,172 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,172 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,172 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:30,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:30,172 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,172 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:30,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,174 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,174 - INFO - moving on ...
+2024-12-09 10:29:30,174 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:30,174 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:30,174 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:30,174 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,174 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:30,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,175 - INFO - number of orbitals:  66
+2024-12-09 10:29:30,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,175 - INFO - moving on ...
+2024-12-09 10:29:30,175 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:30,176 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:30,176 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:30,176 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,176 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:30,176 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,176 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,176 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,178 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,178 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,178 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:30,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:30,178 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:30,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,196 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,196 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:30,196 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,196 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,196 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,198 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,198 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,198 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:30,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:30,198 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:30,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,214 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,214 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:30,214 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,214 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,214 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,216 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,216 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:30,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:30,216 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,233 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,233 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,233 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:30,233 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,233 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,233 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,235 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,236 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,236 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:30,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:30,236 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,253 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,253 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:30,253 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,253 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,253 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,256 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,256 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:30,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:30,256 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:30,272 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,273 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,273 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:30,273 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,273 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,273 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,275 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,275 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,275 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:30,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:30,275 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:30,292 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,293 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,293 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:30,293 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,293 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,293 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,295 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,295 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,295 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:30,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:30,295 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:30,312 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,312 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,312 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:30,312 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,313 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,313 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,315 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,315 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,315 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:30,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:30,315 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:30,332 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,333 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,333 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:30,333 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,333 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,333 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,335 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,335 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,336 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:30,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:30,336 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:30,355 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,356 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,356 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:30,356 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,356 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,356 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,359 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,359 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,359 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:30,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:30,359 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:30,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,382 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,382 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:30,382 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,382 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,382 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,384 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,384 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,384 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:30,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:30,385 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,401 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,402 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,402 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:30,402 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,402 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,402 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,404 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,404 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,404 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:30,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:30,404 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:30,422 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,423 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,423 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:30,423 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:30,423 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:30,423 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,423 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:30,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,423 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,423 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,426 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,426 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,426 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:30,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:30,426 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:30,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,444 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,445 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:30,445 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,447 - INFO - number of orbitals:  108
+2024-12-09 10:29:30,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,448 - INFO - moving on ...
+2024-12-09 10:29:30,448 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:30,448 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:30,448 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:30,448 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,448 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:30,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,450 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,450 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,450 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:30,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:30,450 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:30,467 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,467 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,468 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:30,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:30,468 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,468 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:30,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,469 - INFO - number of orbitals:  135
+2024-12-09 10:29:30,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,469 - INFO - moving on ...
+2024-12-09 10:29:30,469 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:30,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,471 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,471 - INFO - moving on ...
+2024-12-09 10:29:30,471 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:30,471 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:30,471 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:30,471 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,471 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:30,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,473 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,473 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,473 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:30,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:30,473 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:30,497 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,497 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,498 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:30,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:30,498 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,498 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:30,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,500 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,500 - INFO - moving on ...
+2024-12-09 10:29:30,500 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:30,500 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:30,500 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:30,501 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,501 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:30,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,503 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,503 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,503 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:30,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:30,503 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:30,524 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,525 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,525 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:30,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:30,525 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,525 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:30,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,527 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,527 - INFO - moving on ...
+2024-12-09 10:29:30,527 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:30,527 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:30,527 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:30,527 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,527 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:30,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,528 - INFO - number of orbitals:  76
+2024-12-09 10:29:30,528 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,528 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,528 - INFO - moving on ...
+2024-12-09 10:29:30,529 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:30,529 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:30,529 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:30,529 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,529 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:30,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,530 - INFO - number of orbitals:  76
+2024-12-09 10:29:30,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,530 - INFO - moving on ...
+2024-12-09 10:29:30,530 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:30,530 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:30,530 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:30,530 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,530 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:30,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,532 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,532 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,532 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:30,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:30,532 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:30,549 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,549 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,550 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:30,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:30,550 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,550 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:30,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,551 - INFO - number of orbitals:  118
+2024-12-09 10:29:30,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,552 - INFO - moving on ...
+2024-12-09 10:29:30,552 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:30,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,553 - INFO - number of orbitals:  68
+2024-12-09 10:29:30,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,553 - INFO - moving on ...
+2024-12-09 10:29:30,553 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:30,553 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:30,553 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:30,553 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,553 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:30,554 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,554 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,554 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,556 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,556 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,556 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:30,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:30,556 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,573 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,573 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,573 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:30,573 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,574 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,574 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,576 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,576 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,576 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:30,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:30,576 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:30,592 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,593 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,593 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:30,593 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,593 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,593 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,595 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,595 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,595 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:30,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:30,595 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:30,612 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,612 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,612 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:30,612 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,612 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,612 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,614 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,614 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,614 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:30,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:30,614 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,630 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,631 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,631 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:30,631 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,631 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,631 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,633 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,633 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,633 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:30,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:30,633 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:30,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,649 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,649 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:30,649 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,650 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,650 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,651 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,652 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,652 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:30,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:30,652 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:30,668 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,668 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,668 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:30,668 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,669 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,669 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,671 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,671 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,671 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:30,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:30,671 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:30,687 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,687 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,688 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:30,688 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,688 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,688 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,690 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,690 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,690 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:30,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:30,690 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:30,706 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,706 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,706 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:30,707 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:30,707 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:30,707 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,707 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:30,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,708 - INFO - number of orbitals:  76
+2024-12-09 10:29:30,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,708 - INFO - moving on ...
+2024-12-09 10:29:30,708 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:30,708 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:30,708 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:30,708 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,708 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:30,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,710 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,710 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,710 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:30,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:30,710 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:30,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,726 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,726 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:30,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:30,726 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,726 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:30,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,727 - INFO - number of orbitals:  76
+2024-12-09 10:29:30,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,728 - INFO - moving on ...
+2024-12-09 10:29:30,728 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:30,728 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:30,728 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:30,728 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,728 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:30,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,729 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,729 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:30,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:30,729 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:30,746 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,747 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,747 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:30,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:30,747 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,747 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:30,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,749 - INFO - number of orbitals:  119
+2024-12-09 10:29:30,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,749 - INFO - moving on ...
+2024-12-09 10:29:30,749 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:30,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,750 - INFO - number of orbitals:  62
+2024-12-09 10:29:30,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,750 - INFO - moving on ...
+2024-12-09 10:29:30,750 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:30,751 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:30,751 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:30,751 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,751 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:30,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,752 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,752 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,752 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:30,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:30,752 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:30,769 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,769 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,769 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:30,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:30,769 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,769 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:30,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,771 - INFO - number of orbitals:  135
+2024-12-09 10:29:30,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,771 - INFO - moving on ...
+2024-12-09 10:29:30,771 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:30,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,772 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,772 - INFO - moving on ...
+2024-12-09 10:29:30,772 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:30,772 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:30,772 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:30,773 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,773 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:30,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,774 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,774 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,774 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:30,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:30,774 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:30,791 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,791 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,791 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:30,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:30,791 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,791 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:30,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,793 - INFO - number of orbitals:  118
+2024-12-09 10:29:30,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,793 - INFO - moving on ...
+2024-12-09 10:29:30,793 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:30,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,794 - INFO - number of orbitals:  68
+2024-12-09 10:29:30,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,794 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,794 - INFO - moving on ...
+2024-12-09 10:29:30,794 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:30,795 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:30,795 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:30,795 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,795 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:30,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,796 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,796 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,796 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:30,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:30,796 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:30,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,813 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,813 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:30,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:30,813 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,813 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:30,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,815 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,815 - INFO - moving on ...
+2024-12-09 10:29:30,815 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:30,815 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:30,815 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:30,815 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,815 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:30,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,817 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,817 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:30,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:30,817 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:30,834 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,834 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,834 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:30,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:30,834 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,834 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:30,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,836 - INFO - number of orbitals:  110
+2024-12-09 10:29:30,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,836 - INFO - moving on ...
+2024-12-09 10:29:30,836 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:30,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,837 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,837 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,837 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:30,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:30,837 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:30,854 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,854 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,854 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:30,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:30,854 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,854 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:30,854 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:30,854 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:30,854 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,854 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:30,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,856 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,856 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,856 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:30,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:30,856 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:30,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,873 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,873 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:30,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:30,873 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,873 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:30,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,874 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,875 - INFO - moving on ...
+2024-12-09 10:29:30,875 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:30,875 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:30,875 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:30,875 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,875 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:30,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,876 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,876 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,876 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:30,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:30,876 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:30,892 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,893 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,893 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:30,893 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:30,893 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:30,893 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,893 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:30,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,895 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,895 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,895 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:30,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:30,895 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:30,911 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,911 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,911 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:30,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:30,912 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,912 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:30,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,913 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,913 - INFO - moving on ...
+2024-12-09 10:29:30,913 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:30,913 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:30,913 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:30,913 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,913 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:30,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,915 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,915 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,915 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:30,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:30,915 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:30,931 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,931 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,931 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:30,932 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:30,932 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:30,932 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,932 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:30,932 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,932 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,932 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,934 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,934 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,934 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:30,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:30,934 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:30,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,951 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,951 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:30,951 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,953 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,953 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,953 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:30,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:30,954 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:30,970 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,970 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,970 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:30,970 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,970 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,971 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,972 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,973 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:30,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:30,973 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:30,989 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,989 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,989 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:30,989 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,989 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,989 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,991 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,991 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,991 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:30,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:30,991 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:31,007 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,008 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,008 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:31,008 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:31,008 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:31,008 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,008 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:31,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,010 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,010 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,010 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:31,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:31,010 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,026 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,026 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,026 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:31,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:31,027 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,027 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:31,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,028 - INFO - number of orbitals:  85
+2024-12-09 10:29:31,028 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,028 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,028 - INFO - moving on ...
+2024-12-09 10:29:31,028 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:31,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,030 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,030 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,030 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:31,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:31,030 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:31,046 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,046 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,046 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:31,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:31,046 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,046 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:31,047 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:31,047 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:31,047 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,047 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:31,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,048 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,048 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,048 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:31,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:31,048 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:31,064 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,065 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,065 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:31,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:31,065 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,065 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:31,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,066 - INFO - number of orbitals:  110
+2024-12-09 10:29:31,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,066 - INFO - moving on ...
+2024-12-09 10:29:31,067 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:31,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,068 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,068 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:31,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:31,068 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,084 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,084 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:31,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:31,085 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,085 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:31,085 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:31,085 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:31,085 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,085 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:31,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,086 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,087 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:31,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:31,087 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:31,103 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,103 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,103 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:31,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:31,103 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,103 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:31,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,105 - INFO - number of orbitals:  85
+2024-12-09 10:29:31,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,105 - INFO - moving on ...
+2024-12-09 10:29:31,105 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:31,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,106 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,106 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,106 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:31,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:31,106 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:31,123 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,123 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,123 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:31,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:31,123 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,123 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:31,124 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:31,124 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:31,124 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,124 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:31,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,125 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,125 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,125 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:31,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:31,125 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:31,141 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,142 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,142 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:31,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:31,142 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,142 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:31,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,143 - INFO - number of orbitals:  88
+2024-12-09 10:29:31,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,144 - INFO - moving on ...
+2024-12-09 10:29:31,144 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:31,144 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:31,144 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:31,144 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,144 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:31,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,145 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,145 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,145 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:31,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:31,145 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:31,161 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,162 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,162 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:31,162 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:31,162 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:31,162 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,162 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:31,162 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,162 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,163 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,165 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,165 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:31,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:31,165 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:31,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,182 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,182 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:31,183 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,183 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,183 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,185 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,185 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,185 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:31,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:31,185 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,202 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,202 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,202 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:31,202 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,202 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,202 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,204 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,205 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:31,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:31,205 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:31,220 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,221 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,221 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:31,221 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,221 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,221 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,223 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,223 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:31,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:31,223 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,239 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,240 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,240 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:31,240 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,240 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,240 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,242 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,242 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:31,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:31,242 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:31,259 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,259 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,259 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:31,259 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,259 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,260 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,262 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,262 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,262 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:31,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:31,262 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:31,279 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,279 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,279 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:31,279 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,279 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,279 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,281 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,281 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,282 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:31,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:31,282 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:31,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,299 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,299 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:31,299 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,299 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,299 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,301 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,301 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,301 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:31,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:31,301 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:31,317 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,318 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,318 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:31,318 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,318 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,318 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,320 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,320 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,320 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:31,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:31,320 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:31,337 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,337 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,337 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:31,337 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:31,338 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:31,338 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,338 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:31,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,339 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,339 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,339 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:31,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:31,339 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:31,356 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,356 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,356 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:31,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:31,356 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,357 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:31,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,358 - INFO - number of orbitals:  88
+2024-12-09 10:29:31,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,358 - INFO - moving on ...
+2024-12-09 10:29:31,358 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:31,358 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:31,358 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:31,358 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,358 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:31,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,360 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,360 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,360 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:31,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:31,360 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:31,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,377 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,377 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:31,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:31,377 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,378 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:31,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,379 - INFO - number of orbitals:  72
+2024-12-09 10:29:31,379 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,379 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,379 - INFO - moving on ...
+2024-12-09 10:29:31,379 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:31,379 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:31,379 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:31,379 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,380 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:31,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,381 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,381 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,381 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:31,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:31,381 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:31,398 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,398 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,398 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:31,398 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:31,398 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:31,398 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,399 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:31,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,400 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,400 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,400 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:31,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:31,400 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:31,417 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,417 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,418 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:31,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:31,418 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,418 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:31,418 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:31,418 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:31,418 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,418 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:31,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,420 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,420 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,420 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:31,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:31,420 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:31,436 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,437 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,437 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:31,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:31,437 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,437 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:31,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,439 - INFO - number of orbitals:  116
+2024-12-09 10:29:31,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,439 - INFO - moving on ...
+2024-12-09 10:29:31,439 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:31,439 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:31,439 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:31,439 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,439 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:31,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,440 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,440 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,440 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:31,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:31,440 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,459 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,460 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,460 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:31,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:31,460 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,460 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:31,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,462 - INFO - number of orbitals:  79
+2024-12-09 10:29:31,462 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,462 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,462 - INFO - moving on ...
+2024-12-09 10:29:31,462 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:31,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,464 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,464 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,464 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:31,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:31,464 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:31,480 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,481 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,481 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:31,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:31,481 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,481 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:31,481 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:31,481 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:31,481 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,482 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:31,482 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,482 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,482 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,484 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,484 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,484 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:31,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:31,484 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:31,500 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,500 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,500 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:31,500 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,500 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,500 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,502 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,502 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:31,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:31,502 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:31,519 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,519 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,519 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:31,519 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,520 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,520 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,521 - INFO - number of orbitals:  68
+2024-12-09 10:29:31,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,522 - INFO - moving on ...
+2024-12-09 10:29:31,522 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:31,522 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,522 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,522 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,524 - INFO - number of orbitals:  76
+2024-12-09 10:29:31,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,524 - INFO - moving on ...
+2024-12-09 10:29:31,524 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:31,524 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,524 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,524 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,526 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,526 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:31,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:31,526 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:31,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,543 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,543 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:31,543 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,543 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,543 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,545 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,545 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,545 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:31,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:31,545 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:31,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,562 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,562 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:31,562 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,562 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,562 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,564 - INFO - number of orbitals:  68
+2024-12-09 10:29:31,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,564 - INFO - moving on ...
+2024-12-09 10:29:31,564 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:31,564 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,564 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,564 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,566 - INFO - number of orbitals:  76
+2024-12-09 10:29:31,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,566 - INFO - moving on ...
+2024-12-09 10:29:31,566 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:31,566 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,566 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,566 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,568 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,568 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,568 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:31,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:31,568 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:31,585 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,585 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,585 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:31,585 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,585 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,585 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,587 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,587 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,587 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:31,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:31,587 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,604 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,604 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,604 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:31,605 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,605 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,605 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,607 - INFO - number of orbitals:  68
+2024-12-09 10:29:31,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,607 - INFO - moving on ...
+2024-12-09 10:29:31,607 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:31,607 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,607 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,607 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,609 - INFO - number of orbitals:  76
+2024-12-09 10:29:31,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,609 - INFO - moving on ...
+2024-12-09 10:29:31,609 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:31,609 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:31,609 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:31,609 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,609 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:31,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,610 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,610 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,611 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:31,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:31,611 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:31,627 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,628 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,628 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:31,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:31,628 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,628 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:31,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,629 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,629 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,630 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:31,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:31,630 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:31,646 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,646 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,647 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:31,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:31,647 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,647 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:31,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,648 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,648 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:31,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:31,648 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:31,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,665 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,665 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:31,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:31,665 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,665 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:31,665 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:31,665 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:31,665 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,665 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:31,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,667 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,667 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,667 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:31,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:31,667 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:31,683 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,684 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,684 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:31,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:31,684 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,684 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:31,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,685 - INFO - number of orbitals:  110
+2024-12-09 10:29:31,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,686 - INFO - moving on ...
+2024-12-09 10:29:31,686 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:31,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,687 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,687 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,687 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:31,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:31,687 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:31,703 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,704 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,704 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:31,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:31,704 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,704 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:31,704 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:31,704 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:31,704 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,704 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:31,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,706 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,706 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,706 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:31,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:31,706 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:31,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,724 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,724 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:31,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:31,724 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,724 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:31,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,726 - INFO - number of orbitals:  110
+2024-12-09 10:29:31,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,726 - INFO - moving on ...
+2024-12-09 10:29:31,726 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:31,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,727 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,727 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,727 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:31,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:31,727 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:31,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,744 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,744 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:31,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:31,744 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,744 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:31,745 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:31,745 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:31,745 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,745 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:31,745 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,745 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,745 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,747 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,747 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,747 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:31,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:31,747 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:31,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,764 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,764 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:31,764 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,765 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,765 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,767 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,767 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,767 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:31,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:31,767 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,784 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,784 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:31,784 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,784 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,784 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,786 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,786 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,786 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:31,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:31,786 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:31,803 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,803 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,803 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:31,803 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,803 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,803 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,805 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,805 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,805 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:31,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:31,806 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:31,821 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,822 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,822 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:31,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,824 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,824 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,824 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:31,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:31,824 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:31,840 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,841 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,841 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:31,841 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,841 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,841 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,843 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,843 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,843 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:31,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:31,843 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:31,860 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,860 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,860 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:31,861 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,861 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,861 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,863 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,863 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,863 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:31,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:31,863 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,879 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,880 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,880 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:31,880 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,880 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,880 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,882 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,882 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,882 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:31,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:31,882 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:31,898 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,899 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,899 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:31,899 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,899 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,899 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,901 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,901 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,901 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:31,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:31,902 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:31,918 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,918 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,919 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:31,919 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:31,919 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:31,919 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,919 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:31,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,921 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,921 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,921 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:31,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:31,921 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,937 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,938 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,938 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:31,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:31,938 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,938 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:31,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,939 - INFO - number of orbitals:  88
+2024-12-09 10:29:31,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,939 - INFO - moving on ...
+2024-12-09 10:29:31,940 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:31,940 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:31,940 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:31,940 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,940 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:31,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,941 - INFO - number of orbitals:  76
+2024-12-09 10:29:31,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,941 - INFO - moving on ...
+2024-12-09 10:29:31,941 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:31,941 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:31,941 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:31,941 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,941 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:31,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,943 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,943 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,943 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:31,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:31,943 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:31,959 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,959 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,959 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:31,959 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:31,959 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:31,959 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,959 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:31,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,961 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,961 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,961 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:31,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:31,961 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:31,977 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,977 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,977 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:31,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:31,977 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,977 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:31,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,979 - INFO - number of orbitals:  74
+2024-12-09 10:29:31,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,979 - INFO - moving on ...
+2024-12-09 10:29:31,979 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:31,979 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:31,979 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:31,979 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,979 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:31,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,980 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,981 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,981 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:31,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:31,981 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,997 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,997 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,997 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:31,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:31,997 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,997 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:31,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,998 - INFO - number of orbitals:  90
+2024-12-09 10:29:31,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,999 - INFO - moving on ...
+2024-12-09 10:29:31,999 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:31,999 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:31,999 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:31,999 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,999 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:32,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,000 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,000 - INFO - moving on ...
+2024-12-09 10:29:32,000 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:32,000 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:32,001 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:32,001 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,001 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:32,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,002 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,002 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,002 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:32,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:32,002 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:32,018 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,019 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,019 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:32,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:32,019 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,019 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:32,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,021 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,021 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,021 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,021 - INFO - moving on ...
+2024-12-09 10:29:32,021 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:32,021 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:32,021 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:32,021 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,021 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:32,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,022 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,023 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,023 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:32,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:32,023 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:32,039 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,039 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,039 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:32,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:32,040 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,040 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:32,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,041 - INFO - number of orbitals:  106
+2024-12-09 10:29:32,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,041 - INFO - moving on ...
+2024-12-09 10:29:32,041 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:32,041 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:32,041 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:32,041 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,041 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:32,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,043 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,043 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,043 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:32,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:32,043 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:32,059 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,060 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,060 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:32,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:32,060 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,060 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:32,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,061 - INFO - number of orbitals:  118
+2024-12-09 10:29:32,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,061 - INFO - moving on ...
+2024-12-09 10:29:32,061 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:32,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,063 - INFO - number of orbitals:  68
+2024-12-09 10:29:32,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,063 - INFO - moving on ...
+2024-12-09 10:29:32,063 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:32,063 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:32,063 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:32,063 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,063 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:32,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,064 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,064 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:32,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:32,064 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:32,081 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,081 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,081 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:32,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:32,081 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,081 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:32,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,083 - INFO - number of orbitals:  114
+2024-12-09 10:29:32,083 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,083 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,083 - INFO - moving on ...
+2024-12-09 10:29:32,083 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:32,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,084 - INFO - number of orbitals:  64
+2024-12-09 10:29:32,085 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,085 - INFO - moving on ...
+2024-12-09 10:29:32,085 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:32,085 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:32,085 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:32,085 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,085 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:32,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,086 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,086 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:32,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:32,086 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:32,103 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,103 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,103 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:32,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:32,103 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,103 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:32,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,105 - INFO - number of orbitals:  115
+2024-12-09 10:29:32,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,105 - INFO - moving on ...
+2024-12-09 10:29:32,105 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:32,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,106 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,106 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,106 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:32,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:32,106 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:32,122 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,122 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,123 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:32,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:32,123 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,123 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:32,123 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:32,123 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:32,123 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,123 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:32,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,124 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,125 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,125 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:32,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:32,125 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:32,141 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,141 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,141 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:32,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:32,141 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,141 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:32,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,143 - INFO - number of orbitals:  78
+2024-12-09 10:29:32,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,143 - INFO - moving on ...
+2024-12-09 10:29:32,143 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:32,143 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:32,143 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:32,143 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,143 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:32,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,145 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,145 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,145 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:32,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:32,145 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:32,161 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,161 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,161 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:32,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:32,162 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,162 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:32,162 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:32,162 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:32,162 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,162 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:32,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,163 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,163 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,163 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:32,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:32,164 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:32,180 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,181 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,181 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:32,181 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:32,181 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:32,181 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,181 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:32,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,182 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,183 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,183 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:32,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:32,183 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:32,199 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,199 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,199 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:32,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:32,200 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,200 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:32,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,201 - INFO - number of orbitals:  86
+2024-12-09 10:29:32,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,201 - INFO - moving on ...
+2024-12-09 10:29:32,201 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:32,201 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:32,201 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:32,201 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,202 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:32,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,203 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,203 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,203 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:32,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:32,203 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:32,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,220 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,220 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:32,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:32,220 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,220 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:32,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,221 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,221 - INFO - moving on ...
+2024-12-09 10:29:32,221 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:32,222 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:32,222 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:32,222 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,222 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:32,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,223 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,223 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:32,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:32,223 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:32,239 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,240 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,240 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:32,240 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:32,240 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:32,240 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,240 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:32,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,242 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,242 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:32,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:32,242 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:32,258 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,259 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,259 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:32,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:32,259 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,259 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:32,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,261 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,261 - INFO - moving on ...
+2024-12-09 10:29:32,261 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:32,261 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:32,261 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:32,261 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,261 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:32,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,262 - INFO - number of orbitals:  76
+2024-12-09 10:29:32,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,262 - INFO - moving on ...
+2024-12-09 10:29:32,262 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:32,263 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:32,263 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:32,263 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,263 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:32,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,264 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,264 - INFO - moving on ...
+2024-12-09 10:29:32,264 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:32,264 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:32,264 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:32,264 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,264 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:32,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,266 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,266 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:32,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:32,266 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:32,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,282 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,282 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:32,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:32,283 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,283 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:32,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,284 - INFO - number of orbitals:  116
+2024-12-09 10:29:32,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,284 - INFO - moving on ...
+2024-12-09 10:29:32,284 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:32,284 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:32,284 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:32,284 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,284 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:32,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,286 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,286 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,286 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:32,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:32,286 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:32,302 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,303 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,303 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:32,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:32,303 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,303 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:32,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,305 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,305 - INFO - moving on ...
+2024-12-09 10:29:32,305 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:32,305 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:32,305 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:32,305 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,305 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:32,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,306 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,306 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,306 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:32,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:32,306 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:32,323 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,323 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,323 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:32,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:32,323 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,323 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:32,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,325 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,325 - INFO - moving on ...
+2024-12-09 10:29:32,325 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:32,325 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:32,325 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:32,325 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,325 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:32,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,327 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,327 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,327 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:32,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:32,327 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:32,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,343 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,343 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:32,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:32,344 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,344 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:32,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,345 - INFO - number of orbitals:  110
+2024-12-09 10:29:32,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,345 - INFO - moving on ...
+2024-12-09 10:29:32,345 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:32,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,347 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,347 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,347 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:32,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:32,347 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:32,363 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,363 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,363 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:32,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:32,363 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,363 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:32,364 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:32,364 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:32,364 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,364 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:32,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,365 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,365 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,365 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:32,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:32,365 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:32,382 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,382 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,382 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:32,383 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:32,383 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,383 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:32,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,384 - INFO - number of orbitals:  135
+2024-12-09 10:29:32,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,384 - INFO - moving on ...
+2024-12-09 10:29:32,384 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:32,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,386 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,386 - INFO - moving on ...
+2024-12-09 10:29:32,386 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:32,386 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:32,386 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:32,386 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,386 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:32,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,387 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,387 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,387 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:32,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:32,387 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:32,404 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,404 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,404 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:32,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:32,404 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,404 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:32,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,406 - INFO - number of orbitals:  119
+2024-12-09 10:29:32,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,406 - INFO - moving on ...
+2024-12-09 10:29:32,406 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:32,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,407 - INFO - number of orbitals:  62
+2024-12-09 10:29:32,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,408 - INFO - moving on ...
+2024-12-09 10:29:32,408 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:32,408 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:32,408 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:32,408 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,408 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:32,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,409 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,409 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:32,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:32,409 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:32,426 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,427 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,427 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:32,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:32,427 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,427 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:32,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,428 - INFO - number of orbitals:  64
+2024-12-09 10:29:32,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,428 - INFO - moving on ...
+2024-12-09 10:29:32,428 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:32,428 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:32,428 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:32,428 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,429 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:32,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,430 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,430 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:32,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:32,430 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:32,446 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,446 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,446 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:32,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:32,446 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,446 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:32,447 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:32,447 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:32,447 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,447 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:32,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,448 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,448 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,448 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:32,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:32,448 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:32,465 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,465 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,465 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:32,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:32,466 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,466 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:32,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,467 - INFO - number of orbitals:  89
+2024-12-09 10:29:32,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,467 - INFO - moving on ...
+2024-12-09 10:29:32,467 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:32,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,468 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,468 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,468 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:32,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:32,469 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:32,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,485 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,485 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:32,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:32,485 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,485 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:32,486 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:32,486 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:32,486 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,486 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:32,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,487 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,487 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,487 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:32,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:32,487 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:32,503 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,504 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,504 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:32,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:32,504 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,504 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:32,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,505 - INFO - number of orbitals:  94
+2024-12-09 10:29:32,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,506 - INFO - moving on ...
+2024-12-09 10:29:32,506 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:32,506 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:32,506 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:32,506 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,506 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:32,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,507 - INFO - number of orbitals:  70
+2024-12-09 10:29:32,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,507 - INFO - moving on ...
+2024-12-09 10:29:32,507 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:32,507 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:32,507 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:32,507 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,507 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:32,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,509 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,509 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,509 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:32,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:32,509 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:32,527 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,527 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,528 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:32,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:32,528 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,528 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:32,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,531 - INFO - number of orbitals:  79
+2024-12-09 10:29:32,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,531 - INFO - moving on ...
+2024-12-09 10:29:32,531 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:32,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,534 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,534 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:32,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:32,534 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:32,552 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,553 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,553 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:32,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:32,553 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,553 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:32,553 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:32,553 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:32,553 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,553 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:32,553 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,553 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,553 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,555 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,555 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,555 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:32,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:32,555 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:32,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,571 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,572 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:32,572 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,572 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,572 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,574 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,574 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,574 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:32,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:32,574 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:32,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,590 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,590 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:32,590 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,590 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,590 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,592 - INFO - number of orbitals:  90
+2024-12-09 10:29:32,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,592 - INFO - moving on ...
+2024-12-09 10:29:32,592 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:32,592 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,593 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,593 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,594 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,594 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,595 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:32,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:32,595 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:32,611 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,612 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,612 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:32,612 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,612 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,612 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,614 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,614 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,614 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:32,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:32,614 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:32,631 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,631 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,631 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:32,631 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,632 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,632 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,633 - INFO - number of orbitals:  90
+2024-12-09 10:29:32,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,634 - INFO - moving on ...
+2024-12-09 10:29:32,634 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:32,634 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:32,634 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:32,634 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,634 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:32,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,635 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:32,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:32,635 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:32,652 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,653 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,653 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:32,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:32,653 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,653 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:32,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,654 - INFO - number of orbitals:  115
+2024-12-09 10:29:32,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,655 - INFO - moving on ...
+2024-12-09 10:29:32,655 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:32,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,656 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,656 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,656 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:32,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:32,656 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:32,674 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,675 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,675 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:32,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:32,675 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,675 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:32,675 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:32,675 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:32,675 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,675 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:32,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,677 - INFO - number of orbitals:  76
+2024-12-09 10:29:32,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,677 - INFO - moving on ...
+2024-12-09 10:29:32,677 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:32,677 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:32,677 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:32,677 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,677 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:32,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,679 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,679 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,679 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:32,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:32,679 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:32,696 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,697 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,697 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:32,697 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:32,697 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:32,697 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,697 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:32,697 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,698 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,698 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,700 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,700 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,700 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:32,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:32,700 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:32,717 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,718 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,718 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:32,718 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,718 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,718 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,720 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,720 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,720 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:32,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:32,720 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:32,735 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,736 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,736 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:32,736 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,736 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,736 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,738 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,738 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,738 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:32,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:32,738 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:32,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,754 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,754 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:32,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,757 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,757 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:32,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:32,757 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:32,773 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,773 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,773 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:32,773 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,773 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,773 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,775 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,775 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,775 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:32,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:32,776 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:32,792 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,792 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,792 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:32,792 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,792 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,792 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,794 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,794 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,794 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:32,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:32,794 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:32,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,811 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,811 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:32,811 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:32,811 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:32,811 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,811 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:32,811 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,811 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,811 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,813 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,813 - INFO - moving on ...
+2024-12-09 10:29:32,813 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:32,813 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,813 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,815 - INFO - number of orbitals:  70
+2024-12-09 10:29:32,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,815 - INFO - moving on ...
+2024-12-09 10:29:32,815 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:32,815 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,815 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,816 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,817 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,817 - INFO - moving on ...
+2024-12-09 10:29:32,817 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:32,817 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:32,817 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:32,817 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,817 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:32,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,819 - INFO - number of orbitals:  76
+2024-12-09 10:29:32,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,819 - INFO - moving on ...
+2024-12-09 10:29:32,819 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:32,819 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:32,820 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:32,820 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,820 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:32,820 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,820 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,820 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,821 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,822 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,822 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:32,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:32,822 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:32,838 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,838 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,838 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:32,838 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,838 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,838 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,840 - INFO - number of orbitals:  70
+2024-12-09 10:29:32,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,840 - INFO - moving on ...
+2024-12-09 10:29:32,840 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:32,840 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,840 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,840 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,842 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,842 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,842 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:32,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:32,842 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:32,859 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,860 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,860 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:32,860 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,860 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,860 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,862 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,862 - INFO - moving on ...
+2024-12-09 10:29:32,862 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:32,862 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,862 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,862 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,864 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,864 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,864 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:32,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:32,864 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:32,881 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,882 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,882 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:32,882 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,882 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,882 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,884 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,884 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,884 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:32,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:32,884 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:32,901 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,901 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,901 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:32,901 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,902 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,902 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,904 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,904 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,904 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:32,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:32,904 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:32,920 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,920 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,920 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:32,920 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,921 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,921 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,922 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,923 - INFO - moving on ...
+2024-12-09 10:29:32,923 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:32,923 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,923 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,923 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,925 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,925 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,925 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:32,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:32,925 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:32,942 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,942 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,942 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:32,942 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,942 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,942 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,945 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,945 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:32,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:32,945 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:32,961 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,961 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,962 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:32,962 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,962 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,962 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,964 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,964 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,964 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:32,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:32,964 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:32,980 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,981 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,981 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:32,981 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,981 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,981 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,983 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,983 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,983 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:32,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:32,983 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:32,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,000 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,000 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:33,000 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,000 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,000 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,002 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,002 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,002 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:33,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:33,002 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:33,018 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,019 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,019 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:33,019 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,019 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,019 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,021 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,021 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,021 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:33,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:33,021 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:33,038 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,038 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,038 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:33,038 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,038 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,038 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,041 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,041 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,041 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:33,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:33,041 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:33,057 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,058 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,058 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:33,058 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,058 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,058 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,060 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,060 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:33,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:33,060 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:33,076 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,076 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,076 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:33,077 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:33,077 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:33,077 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,077 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:33,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,078 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,078 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,078 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:33,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:33,078 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:33,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,095 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,095 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:33,095 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:33,095 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,095 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:33,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,097 - INFO - number of orbitals:  90
+2024-12-09 10:29:33,097 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:33,097 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,097 - INFO - moving on ...
+2024-12-09 10:29:33,097 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:33,097 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:33,097 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:33,097 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,097 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:33,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,098 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,098 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:33,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:33,099 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:33,114 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,115 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,115 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:33,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:33,115 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,115 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:33,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,117 - INFO - number of orbitals:  118
+2024-12-09 10:29:33,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,117 - INFO - moving on ...
+2024-12-09 10:29:33,117 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:33,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,118 - INFO - number of orbitals:  68
+2024-12-09 10:29:33,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,118 - INFO - moving on ...
+2024-12-09 10:29:33,118 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:33,118 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:33,118 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:33,118 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,118 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:33,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,120 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,120 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,120 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:33,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:33,120 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:33,136 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,137 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,137 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:33,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:33,137 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,137 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:33,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,138 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,139 - INFO - moving on ...
+2024-12-09 10:29:33,139 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:33,139 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:33,139 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:33,139 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,139 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:33,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,140 - INFO - number of orbitals:  66
+2024-12-09 10:29:33,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,140 - INFO - moving on ...
+2024-12-09 10:29:33,140 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:33,141 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:33,141 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:33,141 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,141 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:33,141 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,141 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,141 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,143 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,143 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,143 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:33,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:33,143 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:33,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,160 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,160 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:33,160 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,160 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,160 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,162 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,162 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,162 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:33,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:33,162 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:33,179 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,179 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,179 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:33,179 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,179 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,179 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,182 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,182 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:33,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:33,182 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,199 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,199 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:33,199 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,199 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,199 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,201 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,201 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,201 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:33,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:33,201 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,218 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,218 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,218 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:33,218 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,219 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,219 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,221 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,221 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,221 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:33,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:33,221 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:33,238 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,238 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,238 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:33,238 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,238 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,238 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,240 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,240 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:33,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:33,240 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:33,259 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,259 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,259 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:33,259 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,259 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,259 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,261 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,261 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,261 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:33,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:33,262 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:33,278 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,279 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,279 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:33,279 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,279 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,279 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,281 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,281 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,281 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:33,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:33,282 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:33,298 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,299 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,299 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:33,299 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,299 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,299 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,301 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,301 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,301 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:33,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:33,301 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:33,318 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,319 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,319 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:33,319 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,319 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,319 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,321 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,321 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,321 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:33,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:33,321 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:33,337 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,338 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,338 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:33,338 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,338 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,338 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,340 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,340 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,340 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:33,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:33,340 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,357 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,357 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:33,357 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,358 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,358 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,360 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,360 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,360 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:33,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:33,360 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:33,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,378 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,378 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:33,378 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:33,378 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:33,378 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,378 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:33,378 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,378 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,378 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,380 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,380 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,380 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:33,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:33,380 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:33,397 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,397 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,397 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:33,397 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,398 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,398 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,399 - INFO - number of orbitals:  108
+2024-12-09 10:29:33,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,400 - INFO - moving on ...
+2024-12-09 10:29:33,400 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:33,400 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:33,400 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:33,400 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,400 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:33,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,401 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,401 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,401 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:33,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:33,402 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:33,419 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,419 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,419 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:33,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:33,419 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,420 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:33,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,421 - INFO - number of orbitals:  135
+2024-12-09 10:29:33,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,421 - INFO - moving on ...
+2024-12-09 10:29:33,421 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:33,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,423 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,423 - INFO - moving on ...
+2024-12-09 10:29:33,423 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:33,423 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:33,423 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:33,423 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,423 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:33,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,424 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,424 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,424 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:33,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:33,425 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:33,441 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,441 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,441 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:33,441 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:33,441 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,441 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:33,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,443 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,443 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,443 - INFO - moving on ...
+2024-12-09 10:29:33,443 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:33,443 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:33,443 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:33,443 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,443 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:33,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,444 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,445 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,445 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:33,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:33,445 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:33,461 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,461 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,461 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:33,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:33,462 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,462 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:33,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,463 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,463 - INFO - moving on ...
+2024-12-09 10:29:33,463 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:33,463 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:33,464 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:33,464 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,464 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:33,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,465 - INFO - number of orbitals:  76
+2024-12-09 10:29:33,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,465 - INFO - moving on ...
+2024-12-09 10:29:33,465 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:33,465 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:33,465 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:33,465 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,465 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:33,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,467 - INFO - number of orbitals:  76
+2024-12-09 10:29:33,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,467 - INFO - moving on ...
+2024-12-09 10:29:33,467 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:33,467 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:33,467 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:33,467 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,467 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:33,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,469 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,469 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:33,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:33,469 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:33,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,486 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,486 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:33,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:33,486 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,486 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:33,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,487 - INFO - number of orbitals:  118
+2024-12-09 10:29:33,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,488 - INFO - moving on ...
+2024-12-09 10:29:33,488 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:33,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,489 - INFO - number of orbitals:  68
+2024-12-09 10:29:33,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,489 - INFO - moving on ...
+2024-12-09 10:29:33,489 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:33,489 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:33,489 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:33,489 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,489 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:33,489 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,490 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,490 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,491 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,491 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,491 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:33,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:33,492 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,515 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,515 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,515 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:33,515 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,515 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,515 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,518 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,518 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:33,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:33,518 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:33,534 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,535 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,535 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:33,535 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,535 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,535 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,537 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,537 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,537 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:33,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:33,537 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:33,554 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,554 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,554 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:33,554 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,554 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,554 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,556 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,556 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,557 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:33,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:33,557 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,573 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,574 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,574 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:33,574 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,574 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,574 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,576 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,576 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,576 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:33,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:33,576 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:33,593 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,593 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,593 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:33,593 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,593 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,593 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,595 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,595 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,595 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:33,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:33,596 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:33,612 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,612 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,612 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:33,612 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,613 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,613 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,614 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,615 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,615 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:33,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:33,615 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:33,631 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,631 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,631 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:33,631 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,631 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,631 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,633 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,633 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,633 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:33,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:33,634 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:33,651 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,652 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,652 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:33,652 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:33,652 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:33,652 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,652 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:33,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,654 - INFO - number of orbitals:  76
+2024-12-09 10:29:33,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,654 - INFO - moving on ...
+2024-12-09 10:29:33,654 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:33,654 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:33,654 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:33,654 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,654 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:33,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,656 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,656 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,656 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:33,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:33,656 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:33,672 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,672 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,672 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:33,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:33,672 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,673 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:33,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,674 - INFO - number of orbitals:  76
+2024-12-09 10:29:33,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,674 - INFO - moving on ...
+2024-12-09 10:29:33,674 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:33,674 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:33,674 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:33,674 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,674 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:33,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,676 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,676 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,676 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:33,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:33,676 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:33,693 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,694 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,694 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:33,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:33,694 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,694 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:33,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,696 - INFO - number of orbitals:  119
+2024-12-09 10:29:33,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,696 - INFO - moving on ...
+2024-12-09 10:29:33,696 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:33,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,697 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,697 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,697 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:33,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:33,697 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:33,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,714 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,714 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:33,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:33,714 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,714 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:33,714 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:33,715 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:33,715 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,715 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:33,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,716 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,716 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,716 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:33,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:33,716 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:33,733 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,734 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,734 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:33,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:33,734 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,734 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:33,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,736 - INFO - number of orbitals:  135
+2024-12-09 10:29:33,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,736 - INFO - moving on ...
+2024-12-09 10:29:33,736 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:33,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,737 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,737 - INFO - moving on ...
+2024-12-09 10:29:33,737 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:33,737 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:33,737 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:33,737 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,737 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:33,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,739 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,739 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,739 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:33,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:33,739 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:33,755 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,756 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,756 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:33,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:33,756 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,756 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:33,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,758 - INFO - number of orbitals:  118
+2024-12-09 10:29:33,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,758 - INFO - moving on ...
+2024-12-09 10:29:33,758 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:33,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,759 - INFO - number of orbitals:  68
+2024-12-09 10:29:33,759 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,759 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,759 - INFO - moving on ...
+2024-12-09 10:29:33,759 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:33,759 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:33,759 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:33,759 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,759 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:33,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,761 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,761 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,761 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:33,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:33,761 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:33,778 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,779 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,779 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:33,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:33,779 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,779 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:33,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,780 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,780 - INFO - moving on ...
+2024-12-09 10:29:33,780 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:33,781 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:33,781 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:33,781 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,781 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:33,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,782 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,782 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,782 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:33,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:33,782 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:33,799 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,799 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,799 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:33,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:33,799 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,799 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:33,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,801 - INFO - number of orbitals:  110
+2024-12-09 10:29:33,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,801 - INFO - moving on ...
+2024-12-09 10:29:33,801 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:33,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,802 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,802 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,802 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:33,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:33,803 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:33,819 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,819 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,819 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:33,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:33,819 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,819 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:33,819 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:33,819 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:33,819 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,819 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:33,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,821 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,821 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,821 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:33,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:33,821 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:33,837 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,838 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,838 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:33,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:33,838 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,838 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:33,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,840 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,840 - INFO - moving on ...
+2024-12-09 10:29:33,840 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:33,840 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:33,840 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:33,840 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,840 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:33,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,841 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,841 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:33,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:33,841 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:33,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,858 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,858 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:33,858 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:33,858 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:33,858 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,858 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:33,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,859 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,859 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,859 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:33,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:33,860 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:33,875 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,876 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,876 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:33,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:33,876 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,876 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:33,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,877 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,878 - INFO - moving on ...
+2024-12-09 10:29:33,878 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:33,878 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:33,878 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:33,878 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,878 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:33,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,879 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,879 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,879 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:33,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:33,879 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:33,895 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,896 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,896 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:33,896 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:33,896 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:33,896 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,896 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:33,896 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,896 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,896 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,898 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,898 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:33,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:33,898 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:33,915 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,915 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,915 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:33,915 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,915 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,916 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,918 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,918 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,918 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:33,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:33,918 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:33,934 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,934 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,934 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:33,934 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,935 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,935 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,936 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,937 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,937 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:33,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:33,937 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:33,952 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,953 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,953 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:33,953 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,953 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,953 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,955 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,955 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,955 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:33,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:33,955 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:33,972 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,972 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,972 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:33,972 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:33,972 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:33,972 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,972 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:33,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,974 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,974 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,974 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:33,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:33,974 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:33,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,991 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,991 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:33,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:33,992 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,992 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:33,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,993 - INFO - number of orbitals:  85
+2024-12-09 10:29:33,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,993 - INFO - moving on ...
+2024-12-09 10:29:33,993 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:33,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,994 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,994 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:33,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:33,995 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:34,011 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,011 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,011 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:34,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:34,011 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,011 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:34,012 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:34,012 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:34,012 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,012 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:34,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,013 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,013 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:34,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:34,013 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:34,029 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,030 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,030 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:34,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:34,030 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,030 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:34,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,031 - INFO - number of orbitals:  110
+2024-12-09 10:29:34,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,031 - INFO - moving on ...
+2024-12-09 10:29:34,031 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:34,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,033 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,033 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,033 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:34,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:34,033 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,049 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,049 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:34,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:34,049 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,049 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:34,049 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:34,049 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:34,049 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,049 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:34,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,051 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,051 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,051 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:34,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:34,051 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:34,068 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,068 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,068 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:34,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:34,068 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,068 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:34,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,070 - INFO - number of orbitals:  85
+2024-12-09 10:29:34,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,070 - INFO - moving on ...
+2024-12-09 10:29:34,070 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:34,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,071 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,071 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,071 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:34,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:34,072 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:34,089 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,089 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,089 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:34,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:34,089 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,089 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:34,090 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:34,090 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:34,090 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,090 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:34,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,091 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,091 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:34,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:34,091 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:34,109 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,109 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,109 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:34,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:34,109 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,109 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:34,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,111 - INFO - number of orbitals:  88
+2024-12-09 10:29:34,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,111 - INFO - moving on ...
+2024-12-09 10:29:34,111 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:34,111 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:34,111 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:34,111 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,111 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:34,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,112 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,112 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,112 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:34,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:34,113 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:34,129 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,129 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,129 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:34,130 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:34,130 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:34,130 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,130 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:34,130 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,130 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,130 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,132 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,132 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,132 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:34,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:34,132 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:34,148 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,148 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,148 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:34,149 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,149 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,149 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,151 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,151 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:34,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:34,151 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,168 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,168 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:34,168 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,168 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,168 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,170 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,170 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:34,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:34,170 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:34,186 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,186 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,186 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:34,187 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,187 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,187 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,189 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,189 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:34,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:34,189 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,205 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,205 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,205 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:34,205 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,205 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,205 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,207 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,207 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:34,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:34,207 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:34,224 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,225 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,225 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:34,225 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,225 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,225 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,227 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,227 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:34,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:34,227 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:34,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,244 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,244 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:34,244 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,244 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,244 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,246 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,246 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,246 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:34,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:34,246 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:34,263 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,263 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,263 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:34,263 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,264 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,264 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,266 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,266 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:34,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:34,266 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:34,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,283 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,283 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:34,283 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,283 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,283 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,285 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,285 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,285 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:34,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:34,285 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:34,301 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,302 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,302 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:34,302 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:34,302 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:34,302 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,302 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:34,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,303 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,303 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,303 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:34,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:34,304 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:34,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,320 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,320 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:34,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:34,320 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,320 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:34,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,321 - INFO - number of orbitals:  88
+2024-12-09 10:29:34,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,322 - INFO - moving on ...
+2024-12-09 10:29:34,322 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:34,322 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:34,322 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:34,322 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,322 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:34,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,323 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,323 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,323 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:34,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:34,323 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:34,339 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,340 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,340 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:34,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:34,340 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,340 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:34,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,342 - INFO - number of orbitals:  72
+2024-12-09 10:29:34,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,342 - INFO - moving on ...
+2024-12-09 10:29:34,342 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:34,342 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:34,342 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:34,342 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,342 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:34,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,343 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,343 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,344 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:34,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:34,344 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:34,362 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,362 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,362 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:34,362 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:34,362 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:34,362 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,363 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:34,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,364 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,364 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,364 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:34,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:34,364 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:34,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,382 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,382 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:34,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:34,382 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,382 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:34,382 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:34,382 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:34,382 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,382 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:34,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,384 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,384 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,384 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:34,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:34,384 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:34,400 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,401 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,401 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:34,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:34,401 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,401 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:34,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,403 - INFO - number of orbitals:  116
+2024-12-09 10:29:34,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,403 - INFO - moving on ...
+2024-12-09 10:29:34,403 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:34,403 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:34,403 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:34,403 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,403 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:34,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,404 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,404 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,404 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:34,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:34,405 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:34,421 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,422 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,422 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:34,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:34,422 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,422 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:34,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,424 - INFO - number of orbitals:  79
+2024-12-09 10:29:34,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,424 - INFO - moving on ...
+2024-12-09 10:29:34,424 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:34,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,425 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,425 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,425 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:34,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:34,426 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:34,443 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,444 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,444 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:34,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:34,444 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,444 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:34,444 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:34,444 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:34,444 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,444 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:34,444 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,447 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,447 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,447 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:34,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:34,447 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:34,463 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,464 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,464 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:34,464 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,464 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,464 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,466 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,466 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,466 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:34,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:34,466 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:34,482 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,483 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,483 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:34,483 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,483 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,483 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,485 - INFO - number of orbitals:  68
+2024-12-09 10:29:34,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,485 - INFO - moving on ...
+2024-12-09 10:29:34,485 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:34,485 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,485 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,485 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,487 - INFO - number of orbitals:  76
+2024-12-09 10:29:34,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,487 - INFO - moving on ...
+2024-12-09 10:29:34,487 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:34,487 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,487 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,487 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,489 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,489 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,489 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:34,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:34,489 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:34,506 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,507 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,507 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:34,507 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,507 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,507 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,509 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,509 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,509 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:34,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:34,509 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:34,525 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,525 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,525 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:34,525 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,526 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,526 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,527 - INFO - number of orbitals:  68
+2024-12-09 10:29:34,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,528 - INFO - moving on ...
+2024-12-09 10:29:34,528 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:34,528 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,528 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,528 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,529 - INFO - number of orbitals:  76
+2024-12-09 10:29:34,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,529 - INFO - moving on ...
+2024-12-09 10:29:34,529 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:34,530 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,530 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,530 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,531 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,531 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,531 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:34,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:34,531 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:34,548 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,548 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,548 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:34,548 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,548 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,548 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,550 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,550 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,550 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:34,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:34,551 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:34,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,567 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,567 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:34,568 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,568 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,568 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,570 - INFO - number of orbitals:  68
+2024-12-09 10:29:34,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,570 - INFO - moving on ...
+2024-12-09 10:29:34,570 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:34,570 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,570 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,570 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,572 - INFO - number of orbitals:  76
+2024-12-09 10:29:34,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,572 - INFO - moving on ...
+2024-12-09 10:29:34,572 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:34,572 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:34,572 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:34,572 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,572 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:34,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,574 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,574 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,574 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:34,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:34,574 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:34,590 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,591 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,591 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:34,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:34,591 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,591 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:34,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,592 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,592 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:34,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:34,592 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:34,608 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,609 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,609 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:34,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:34,609 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,609 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:34,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,611 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,611 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,611 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:34,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:34,611 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:34,627 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,627 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,627 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:34,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:34,628 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,628 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:34,628 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:34,628 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:34,628 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,628 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:34,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,629 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,629 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,629 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:34,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:34,630 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:34,646 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,647 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,647 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:34,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:34,647 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,647 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:34,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,648 - INFO - number of orbitals:  110
+2024-12-09 10:29:34,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,648 - INFO - moving on ...
+2024-12-09 10:29:34,648 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:34,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,650 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,650 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,650 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:34,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:34,650 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:34,666 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,666 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,666 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:34,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:34,666 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,666 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:34,666 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:34,666 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:34,667 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,667 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:34,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,668 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,668 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,668 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:34,668 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:34,668 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:34,684 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,685 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,685 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:34,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:34,685 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,685 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:34,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,686 - INFO - number of orbitals:  110
+2024-12-09 10:29:34,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,686 - INFO - moving on ...
+2024-12-09 10:29:34,686 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:34,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,687 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,687 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,688 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:34,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:34,688 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:34,703 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,704 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,704 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:34,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:34,704 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,704 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:34,704 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:34,704 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:34,704 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,704 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:34,704 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,705 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,705 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,707 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,707 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,707 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:34,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:34,707 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:34,723 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,723 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,723 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:34,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,725 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,725 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,725 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:34,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:34,725 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,742 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,742 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,742 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:34,743 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,743 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,743 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,745 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,745 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,745 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:34,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:34,745 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:34,768 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,768 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,769 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:34,769 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,769 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,769 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,771 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,771 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,772 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:34,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:34,772 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:34,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,794 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,794 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:34,794 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,795 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,797 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,797 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:34,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:34,797 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:34,814 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,814 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,814 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:34,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,816 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,816 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:34,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:34,816 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:34,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,833 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,833 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:34,833 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,836 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,836 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:34,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:34,836 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:34,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,853 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,853 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:34,853 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,855 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,855 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:34,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:34,855 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:34,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,872 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,872 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:34,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,875 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:34,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:34,875 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:34,894 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,894 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,894 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:34,895 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:34,895 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:34,895 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,895 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:34,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,897 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,897 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,897 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:34,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:34,897 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,919 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,920 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,920 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:34,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:34,920 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,920 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:34,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,923 - INFO - number of orbitals:  88
+2024-12-09 10:29:34,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,923 - INFO - moving on ...
+2024-12-09 10:29:34,923 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:34,923 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:34,923 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:34,923 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,923 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:34,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,925 - INFO - number of orbitals:  76
+2024-12-09 10:29:34,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,925 - INFO - moving on ...
+2024-12-09 10:29:34,926 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:34,926 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:34,926 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:34,926 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,926 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:34,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,928 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,928 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,928 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:34,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:34,928 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:34,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,950 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,951 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:34,951 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:34,951 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:34,951 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,951 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:34,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,953 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,954 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,954 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:34,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:34,954 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:34,977 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,978 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,978 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:34,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:34,978 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,978 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:34,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,980 - INFO - number of orbitals:  74
+2024-12-09 10:29:34,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,981 - INFO - moving on ...
+2024-12-09 10:29:34,981 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:34,981 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:34,981 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:34,981 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,981 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:34,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,983 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,983 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,983 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:34,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:34,983 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:35,007 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,008 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,008 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:35,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:35,008 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,008 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:35,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,010 - INFO - number of orbitals:  90
+2024-12-09 10:29:35,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,011 - INFO - moving on ...
+2024-12-09 10:29:35,011 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:35,011 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:35,011 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:35,011 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,011 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:35,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,013 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,013 - INFO - moving on ...
+2024-12-09 10:29:35,013 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:35,013 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:35,013 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:35,013 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,013 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:35,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,015 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,015 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,015 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:35,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:35,015 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:35,037 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,037 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,037 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:35,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:35,038 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,038 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:35,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,040 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,040 - INFO - moving on ...
+2024-12-09 10:29:35,040 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:35,040 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:35,040 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:35,040 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,040 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:35,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,042 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,042 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,043 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:35,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:35,043 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:35,064 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,064 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,065 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:35,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:35,065 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,065 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:35,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,066 - INFO - number of orbitals:  106
+2024-12-09 10:29:35,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,067 - INFO - moving on ...
+2024-12-09 10:29:35,067 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:35,067 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:35,067 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:35,067 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,067 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:35,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,068 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,068 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:35,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:35,068 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:35,086 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,086 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,086 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:35,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:35,086 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,086 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:35,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,088 - INFO - number of orbitals:  118
+2024-12-09 10:29:35,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,088 - INFO - moving on ...
+2024-12-09 10:29:35,088 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:35,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,090 - INFO - number of orbitals:  68
+2024-12-09 10:29:35,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,090 - INFO - moving on ...
+2024-12-09 10:29:35,090 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:35,090 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:35,090 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:35,090 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,090 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:35,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,091 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,091 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:35,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:35,092 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:35,109 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,109 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,109 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:35,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:35,110 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,110 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:35,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,111 - INFO - number of orbitals:  114
+2024-12-09 10:29:35,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,111 - INFO - moving on ...
+2024-12-09 10:29:35,111 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:35,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,113 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,113 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,113 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:35,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:35,113 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:35,130 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,131 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,131 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:35,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:35,131 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,131 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:35,131 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:35,131 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:35,131 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,131 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:35,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,133 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,133 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,133 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:35,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:35,133 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:35,150 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,150 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,150 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:35,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:35,150 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,150 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:35,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,152 - INFO - number of orbitals:  115
+2024-12-09 10:29:35,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,152 - INFO - moving on ...
+2024-12-09 10:29:35,152 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:35,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,153 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,153 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,153 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:35,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:35,153 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:35,170 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,170 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,170 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:35,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:35,170 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,170 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:35,171 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:35,171 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:35,171 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,171 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:35,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,172 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,172 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,172 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:35,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:35,172 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:35,188 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,189 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,189 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:35,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:35,189 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,189 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:35,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,191 - INFO - number of orbitals:  78
+2024-12-09 10:29:35,191 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,191 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,191 - INFO - moving on ...
+2024-12-09 10:29:35,191 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:35,191 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:35,191 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:35,191 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,191 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:35,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,192 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,192 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,192 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:35,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:35,192 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:35,209 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,209 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,209 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:35,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:35,209 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,209 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:35,209 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:35,210 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:35,210 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,210 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:35,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,211 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,211 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,211 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:35,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:35,211 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:35,228 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,228 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,228 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:35,228 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:35,228 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:35,228 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,229 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:35,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,230 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,230 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,230 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:35,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:35,230 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:35,247 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,247 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,247 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:35,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:35,247 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,247 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:35,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,249 - INFO - number of orbitals:  86
+2024-12-09 10:29:35,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,249 - INFO - moving on ...
+2024-12-09 10:29:35,249 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:35,249 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:35,249 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:35,249 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,249 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:35,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,250 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,251 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,251 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:35,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:35,251 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:35,268 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,268 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,268 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:35,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:35,268 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,268 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:35,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,270 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,270 - INFO - moving on ...
+2024-12-09 10:29:35,270 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:35,271 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:35,271 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:35,271 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,271 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:35,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,272 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,272 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:35,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:35,272 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:35,289 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,289 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,289 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:35,289 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:35,290 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:35,290 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,290 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:35,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,291 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,291 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,291 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:35,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:35,291 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:35,309 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,309 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,309 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:35,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:35,309 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,309 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:35,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,311 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,311 - INFO - moving on ...
+2024-12-09 10:29:35,311 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:35,311 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:35,311 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:35,311 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,311 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:35,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,313 - INFO - number of orbitals:  76
+2024-12-09 10:29:35,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,313 - INFO - moving on ...
+2024-12-09 10:29:35,313 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:35,313 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:35,313 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:35,313 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,313 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:35,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,314 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,314 - INFO - moving on ...
+2024-12-09 10:29:35,315 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:35,315 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:35,315 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:35,315 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,315 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:35,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,316 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,316 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:35,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:35,316 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:35,336 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,337 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,337 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:35,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:35,337 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,337 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:35,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,339 - INFO - number of orbitals:  116
+2024-12-09 10:29:35,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,339 - INFO - moving on ...
+2024-12-09 10:29:35,339 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:35,339 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:35,339 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:35,339 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,339 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:35,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,340 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,340 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,340 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:35,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:35,340 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:35,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,357 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,357 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:35,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:35,357 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,357 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:35,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,359 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,359 - INFO - moving on ...
+2024-12-09 10:29:35,359 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:35,359 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:35,359 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:35,359 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,359 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:35,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,361 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,361 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,361 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:35,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:35,361 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:35,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,378 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,378 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:35,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:35,378 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,378 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:35,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,379 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,380 - INFO - moving on ...
+2024-12-09 10:29:35,380 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:35,380 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:35,380 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:35,380 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,380 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:35,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,381 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,381 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,381 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:35,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:35,381 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:35,398 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,398 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,398 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:35,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:35,398 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,398 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:35,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,400 - INFO - number of orbitals:  110
+2024-12-09 10:29:35,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,400 - INFO - moving on ...
+2024-12-09 10:29:35,400 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:35,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,401 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,401 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,401 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:35,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:35,401 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:35,417 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,418 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,418 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:35,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:35,418 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,418 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:35,418 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:35,418 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:35,418 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,418 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:35,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,420 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,420 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,420 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:35,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:35,420 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:35,436 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,437 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,437 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:35,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:35,437 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,437 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:35,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,439 - INFO - number of orbitals:  135
+2024-12-09 10:29:35,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,439 - INFO - moving on ...
+2024-12-09 10:29:35,439 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:35,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,441 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,441 - INFO - moving on ...
+2024-12-09 10:29:35,441 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:35,441 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:35,441 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:35,441 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,441 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:35,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,442 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,443 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:35,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:35,443 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:35,459 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,460 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,460 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:35,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:35,460 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,460 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:35,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,461 - INFO - number of orbitals:  119
+2024-12-09 10:29:35,461 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,461 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,461 - INFO - moving on ...
+2024-12-09 10:29:35,461 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:35,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,463 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,463 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,463 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:35,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:35,463 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:35,479 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,479 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,479 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:35,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:35,480 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,480 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:35,480 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:35,480 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:35,480 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,480 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:35,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,481 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,481 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,481 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:35,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:35,482 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:35,498 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,498 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,498 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:35,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:35,499 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,499 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:35,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,500 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,500 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,500 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:35,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:35,500 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:35,517 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,517 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,517 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:35,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:35,518 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,518 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:35,518 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:35,518 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:35,518 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,518 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:35,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,519 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,519 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,520 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:35,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:35,520 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:35,536 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,536 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,536 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:35,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:35,536 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,536 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:35,536 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:35,536 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:35,536 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,537 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:35,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,538 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,538 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,538 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:35,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:35,538 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:35,554 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,554 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,554 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:35,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:35,554 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,554 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:35,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,556 - INFO - number of orbitals:  89
+2024-12-09 10:29:35,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,556 - INFO - moving on ...
+2024-12-09 10:29:35,556 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:35,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,557 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,557 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,557 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:35,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:35,557 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:35,573 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,574 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,574 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:35,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:35,574 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,574 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:35,574 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:35,574 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:35,574 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,574 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:35,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,576 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,576 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,576 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:35,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:35,576 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:35,592 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,592 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,592 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:35,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:35,593 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,593 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:35,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,594 - INFO - number of orbitals:  94
+2024-12-09 10:29:35,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,594 - INFO - moving on ...
+2024-12-09 10:29:35,594 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:35,595 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:35,595 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:35,595 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,595 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:35,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,596 - INFO - number of orbitals:  70
+2024-12-09 10:29:35,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,596 - INFO - moving on ...
+2024-12-09 10:29:35,596 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:35,596 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:35,596 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:35,596 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,596 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:35,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,598 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,598 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,598 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:35,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:35,598 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:35,614 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,614 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,614 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:35,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:35,615 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,615 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:35,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,616 - INFO - number of orbitals:  79
+2024-12-09 10:29:35,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,616 - INFO - moving on ...
+2024-12-09 10:29:35,616 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:35,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,618 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,618 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,618 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:35,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:35,618 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:35,635 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,635 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,635 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:35,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:35,636 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,636 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:35,636 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:35,636 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:35,636 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,636 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:35,636 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,636 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,636 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,638 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,638 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,638 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:35,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:35,638 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:35,656 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,656 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,656 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:35,656 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,657 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,657 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,659 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,659 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,659 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:35,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:35,659 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:35,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,676 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,676 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:35,676 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,678 - INFO - number of orbitals:  90
+2024-12-09 10:29:35,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,678 - INFO - moving on ...
+2024-12-09 10:29:35,678 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:35,678 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,679 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,679 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,680 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,681 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,681 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:35,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:35,681 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:35,698 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,698 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,698 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:35,698 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,699 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,699 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,701 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,701 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,701 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:35,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:35,701 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:35,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,723 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,723 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:35,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,725 - INFO - number of orbitals:  90
+2024-12-09 10:29:35,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,725 - INFO - moving on ...
+2024-12-09 10:29:35,725 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:35,725 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:35,725 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:35,726 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,726 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:35,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,727 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,727 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,727 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:35,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:35,727 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:35,743 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,744 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,744 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:35,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:35,744 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,744 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:35,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,745 - INFO - number of orbitals:  115
+2024-12-09 10:29:35,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,745 - INFO - moving on ...
+2024-12-09 10:29:35,745 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:35,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,747 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,747 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,747 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:35,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:35,747 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:35,763 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,763 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,763 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:35,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:35,763 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,763 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:35,763 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:35,763 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:35,764 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,764 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:35,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,765 - INFO - number of orbitals:  76
+2024-12-09 10:29:35,765 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,765 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,765 - INFO - moving on ...
+2024-12-09 10:29:35,765 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:35,765 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:35,765 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:35,765 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,765 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:35,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,767 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,767 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,767 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:35,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:35,767 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:35,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,783 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,783 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:35,784 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:35,784 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:35,784 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,784 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:35,784 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,784 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,784 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,786 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,786 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,786 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:35,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:35,786 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:35,803 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,803 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,803 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:35,803 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,803 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,803 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,805 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,805 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,805 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:35,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:35,805 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:35,821 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,822 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,822 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:35,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,824 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,824 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,824 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:35,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:35,824 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:35,840 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,841 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,841 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:35,841 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,841 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,841 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,843 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,843 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,843 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:35,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:35,843 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:35,859 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,860 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,860 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:35,860 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,860 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,860 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,862 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,862 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,862 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:35,862 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:35,862 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:35,878 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,878 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,878 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:35,878 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,879 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,879 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,881 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,881 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,881 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:35,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:35,881 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:35,898 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,898 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,898 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:35,898 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:35,898 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:35,898 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,898 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:35,898 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,899 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,899 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,901 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,901 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,901 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,901 - INFO - moving on ...
+2024-12-09 10:29:35,901 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:35,901 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,901 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,901 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,903 - INFO - number of orbitals:  70
+2024-12-09 10:29:35,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,903 - INFO - moving on ...
+2024-12-09 10:29:35,903 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:35,903 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,903 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,903 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,905 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,905 - INFO - moving on ...
+2024-12-09 10:29:35,905 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:35,905 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:35,905 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:35,905 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,905 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:35,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,907 - INFO - number of orbitals:  76
+2024-12-09 10:29:35,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,907 - INFO - moving on ...
+2024-12-09 10:29:35,907 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:35,907 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:35,907 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:35,907 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,907 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:35,907 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,908 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,908 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,909 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,909 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,909 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:35,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:35,909 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:35,926 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,926 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,926 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:35,926 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,926 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,926 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,928 - INFO - number of orbitals:  70
+2024-12-09 10:29:35,928 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,928 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,929 - INFO - moving on ...
+2024-12-09 10:29:35,929 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:35,929 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,929 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,929 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,931 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,931 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:35,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:35,931 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:35,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,947 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,947 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:35,947 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,948 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,948 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,949 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,950 - INFO - moving on ...
+2024-12-09 10:29:35,950 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:35,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,950 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,950 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,951 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,952 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,952 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:35,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:35,952 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:35,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,968 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,968 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:35,968 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,969 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,969 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,970 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,971 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,971 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:35,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:35,971 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:35,987 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,988 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,988 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:35,988 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,988 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,988 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,990 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,990 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,990 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:35,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:35,990 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:36,006 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,006 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,006 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:36,007 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,007 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,007 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,009 - INFO - number of orbitals:  69
+2024-12-09 10:29:36,009 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:36,009 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,009 - INFO - moving on ...
+2024-12-09 10:29:36,009 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:36,009 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,009 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,009 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,011 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,011 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,011 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:36,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:36,011 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:36,027 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,027 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,027 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:36,028 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,028 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,028 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,030 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,030 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,030 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:36,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:36,030 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:36,045 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,046 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,046 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:36,046 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,046 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,046 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,048 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,048 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,048 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:36,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:36,048 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:36,064 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,064 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,064 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:36,064 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,066 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,066 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,066 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:36,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:36,066 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:36,082 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,083 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,083 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:36,083 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,083 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,083 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,085 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,085 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:36,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:36,085 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:36,101 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,101 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,101 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:36,101 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,101 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,101 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,103 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,103 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,103 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:36,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:36,104 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:36,119 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,119 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,120 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:36,120 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,120 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,120 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,122 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,122 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,122 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:36,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:36,122 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:36,138 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,138 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,139 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:36,139 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,139 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,139 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,141 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,141 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:36,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:36,141 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:36,157 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,157 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,157 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:36,158 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:36,158 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:36,158 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,158 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:36,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,159 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,159 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:36,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:36,159 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:36,175 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,175 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,176 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:36,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:36,176 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,176 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:36,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,177 - INFO - number of orbitals:  90
+2024-12-09 10:29:36,177 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:36,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,177 - INFO - moving on ...
+2024-12-09 10:29:36,177 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:36,178 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:36,178 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:36,178 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,178 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:36,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,179 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,179 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,179 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:36,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:36,179 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:36,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,195 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,195 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:36,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:36,195 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,195 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:36,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,196 - INFO - number of orbitals:  118
+2024-12-09 10:29:36,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,196 - INFO - moving on ...
+2024-12-09 10:29:36,196 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:36,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,198 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,198 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,198 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:36,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:36,198 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:36,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,214 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,215 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:36,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:36,215 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,215 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:36,215 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:36,215 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:36,215 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,215 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:36,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,217 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,217 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,217 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:36,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:36,217 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:36,233 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,233 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,233 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:36,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:36,234 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,234 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:36,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,235 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,235 - INFO - moving on ...
+2024-12-09 10:29:36,235 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:36,236 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:36,236 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:36,236 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,236 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:36,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,237 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,237 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:36,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:36,237 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,254 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,254 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,254 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:36,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:36,254 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,254 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:36,255 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:36,255 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:36,255 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,255 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:36,255 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,255 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,255 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,257 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,257 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,258 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:36,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:36,258 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:36,275 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,275 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,276 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:36,276 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,276 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,276 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,278 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,278 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:36,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:36,278 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:36,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,295 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,296 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:36,296 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,296 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,296 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,298 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,298 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:36,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:36,298 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,315 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,315 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,315 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:36,315 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,315 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,315 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,317 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,317 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,317 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:36,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:36,317 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,334 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,334 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:36,334 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,334 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,334 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,336 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,336 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:36,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:36,336 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:36,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,353 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,353 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:36,353 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,353 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,353 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,355 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,355 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,355 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:36,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:36,355 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:36,371 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,372 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,372 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:36,372 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,372 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,372 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,374 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,374 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:36,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:36,374 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:36,391 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,392 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,392 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:36,392 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,392 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,392 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,394 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,394 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:36,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:36,394 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:36,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,410 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,410 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:36,411 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,411 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,411 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,413 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,413 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:36,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:36,413 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:36,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,431 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,431 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:36,431 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,431 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,431 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,433 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,433 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:36,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:36,434 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:36,450 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,451 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,451 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:36,451 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,451 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,451 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,453 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,453 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:36,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:36,453 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,471 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,471 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,471 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:36,471 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,471 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,471 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,473 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,473 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,473 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:36,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:36,473 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:36,490 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,490 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,490 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:36,490 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:36,490 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:36,490 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,491 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:36,491 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,491 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,491 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,492 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,493 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,493 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:36,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:36,493 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:36,508 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,509 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,509 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:36,509 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,509 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,509 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,511 - INFO - number of orbitals:  108
+2024-12-09 10:29:36,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,511 - INFO - moving on ...
+2024-12-09 10:29:36,511 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:36,511 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:36,511 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:36,511 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,511 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:36,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,512 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,512 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,513 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:36,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:36,513 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:36,529 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,529 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,530 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:36,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:36,530 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,530 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:36,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,531 - INFO - number of orbitals:  135
+2024-12-09 10:29:36,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,531 - INFO - moving on ...
+2024-12-09 10:29:36,532 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:36,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,533 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,533 - INFO - moving on ...
+2024-12-09 10:29:36,533 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:36,533 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:36,533 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:36,533 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,533 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:36,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,535 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:36,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:36,535 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:36,552 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,552 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,552 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:36,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:36,553 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,553 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:36,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,554 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,555 - INFO - moving on ...
+2024-12-09 10:29:36,555 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:36,555 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:36,555 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:36,555 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,555 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:36,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,557 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,557 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,557 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:36,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:36,557 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:36,575 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,575 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,575 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:36,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:36,575 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,575 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:36,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,577 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,577 - INFO - moving on ...
+2024-12-09 10:29:36,577 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:36,577 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:36,577 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:36,577 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,577 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:36,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,579 - INFO - number of orbitals:  76
+2024-12-09 10:29:36,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,579 - INFO - moving on ...
+2024-12-09 10:29:36,579 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:36,579 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:36,579 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:36,579 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,579 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:36,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,580 - INFO - number of orbitals:  76
+2024-12-09 10:29:36,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,581 - INFO - moving on ...
+2024-12-09 10:29:36,581 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:36,581 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:36,581 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:36,581 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,581 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:36,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,582 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,582 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:36,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:36,582 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:36,599 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,599 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,599 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:36,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:36,599 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,599 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:36,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,601 - INFO - number of orbitals:  118
+2024-12-09 10:29:36,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,601 - INFO - moving on ...
+2024-12-09 10:29:36,601 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:36,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,602 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,602 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,602 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:36,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:36,602 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:36,618 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,618 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,619 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:36,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:36,619 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,619 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:36,619 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:36,619 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:36,619 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,619 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:36,619 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,619 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,619 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,621 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,621 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,621 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:36,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:36,621 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,637 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,637 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,637 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:36,637 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,637 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,637 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,639 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,639 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,639 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:36,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:36,639 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:36,655 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,655 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,655 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:36,655 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,655 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,655 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,657 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,657 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,657 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:36,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:36,658 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:36,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,675 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,675 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:36,675 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,678 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,678 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,678 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:36,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:36,678 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,694 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,695 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,695 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:36,695 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,695 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,695 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,697 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,697 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,697 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:36,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:36,697 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:36,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,713 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,713 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:36,713 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,713 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,713 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,715 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,715 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:36,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:36,716 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:36,731 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,731 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,732 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:36,732 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,732 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,732 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,734 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,734 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,734 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:36,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:36,734 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:36,751 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,751 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,751 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:36,751 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,751 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,751 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,754 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,754 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:36,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:36,754 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:36,771 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,771 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,771 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:36,772 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:36,772 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:36,772 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,772 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:36,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,773 - INFO - number of orbitals:  76
+2024-12-09 10:29:36,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,773 - INFO - moving on ...
+2024-12-09 10:29:36,773 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:36,773 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:36,773 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:36,773 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,774 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:36,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,775 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,775 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,775 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:36,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:36,775 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:36,791 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,791 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,791 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:36,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:36,791 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,792 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:36,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,793 - INFO - number of orbitals:  76
+2024-12-09 10:29:36,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,793 - INFO - moving on ...
+2024-12-09 10:29:36,793 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:36,793 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:36,793 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:36,794 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,794 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:36,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,795 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,795 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,795 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:36,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:36,795 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:36,811 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,811 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,812 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:36,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:36,812 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,812 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:36,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,813 - INFO - number of orbitals:  119
+2024-12-09 10:29:36,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,813 - INFO - moving on ...
+2024-12-09 10:29:36,813 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:36,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,815 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,815 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,815 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:36,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:36,815 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:36,831 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,831 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,831 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:36,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:36,831 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,831 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:36,831 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:36,832 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:36,832 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,832 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:36,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,833 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,833 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,833 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:36,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:36,833 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:36,849 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,850 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,850 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:36,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:36,850 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,850 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:36,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,852 - INFO - number of orbitals:  135
+2024-12-09 10:29:36,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,852 - INFO - moving on ...
+2024-12-09 10:29:36,852 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:36,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,853 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,853 - INFO - moving on ...
+2024-12-09 10:29:36,853 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:36,853 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:36,853 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:36,853 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,853 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:36,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,854 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,855 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,855 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:36,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:36,855 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:36,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,871 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,871 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:36,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:36,871 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,871 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:36,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,873 - INFO - number of orbitals:  118
+2024-12-09 10:29:36,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,873 - INFO - moving on ...
+2024-12-09 10:29:36,873 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:36,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,874 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,874 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:36,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:36,874 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:36,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,891 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,891 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:36,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:36,891 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,891 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:36,891 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:36,891 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:36,891 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,891 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:36,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,893 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,893 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:36,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:36,893 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:36,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,909 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,909 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:36,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:36,909 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,909 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:36,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,911 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,911 - INFO - moving on ...
+2024-12-09 10:29:36,911 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:36,911 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:36,911 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:36,911 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,911 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:36,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,912 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,912 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,912 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:36,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:36,912 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:36,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,929 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,929 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:36,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:36,929 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,929 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:36,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,931 - INFO - number of orbitals:  110
+2024-12-09 10:29:36,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,931 - INFO - moving on ...
+2024-12-09 10:29:36,931 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:36,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,932 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,932 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:36,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:36,933 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:36,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,949 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,949 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:36,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:36,949 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,949 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:36,950 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:36,950 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:36,950 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,950 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:36,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,951 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,951 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,951 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:36,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:36,951 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:36,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,968 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,968 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:36,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:36,968 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,968 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:36,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,970 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,970 - INFO - moving on ...
+2024-12-09 10:29:36,970 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:36,970 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:36,970 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:36,970 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,971 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:36,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,972 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,972 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:36,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:36,972 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:36,989 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,989 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,989 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:36,990 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:36,990 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:36,990 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,990 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:36,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,991 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,991 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,991 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:36,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:36,991 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:37,008 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,009 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,009 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:37,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:37,009 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,009 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:37,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,010 - INFO - number of orbitals:  88
+2024-12-09 10:29:37,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,010 - INFO - moving on ...
+2024-12-09 10:29:37,011 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:37,011 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:37,011 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:37,011 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,011 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:37,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,012 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,012 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,012 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:37,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:37,012 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:37,028 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,029 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,029 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:37,029 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:37,029 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:37,029 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,029 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:37,029 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,030 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,030 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,032 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,032 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:37,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:37,032 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,049 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,049 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:37,049 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,049 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,049 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,051 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,051 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,051 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:37,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:37,051 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:37,068 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,068 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,068 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:37,068 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,068 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,069 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,071 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,071 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,071 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:37,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:37,071 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,087 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,088 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,088 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:37,088 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,088 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,088 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,090 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,090 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:37,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:37,090 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:37,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,106 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,106 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:37,107 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:37,107 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:37,107 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,107 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:37,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,108 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,108 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,108 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:37,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:37,108 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,123 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,123 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,123 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:37,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:37,123 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,123 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:37,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,125 - INFO - number of orbitals:  85
+2024-12-09 10:29:37,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,125 - INFO - moving on ...
+2024-12-09 10:29:37,125 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:37,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,126 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,126 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,126 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:37,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:37,126 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:37,142 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,142 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,142 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:37,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:37,142 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,142 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:37,143 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:37,143 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:37,143 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,143 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:37,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,144 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,144 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,144 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:37,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:37,144 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:37,160 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,160 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,161 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:37,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:37,161 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,161 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:37,162 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,162 - INFO - number of orbitals:  110
+2024-12-09 10:29:37,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,162 - INFO - moving on ...
+2024-12-09 10:29:37,162 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:37,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,163 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,163 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,163 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:37,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:37,164 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:37,178 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,179 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,179 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:37,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:37,179 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,179 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:37,179 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:37,179 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:37,179 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,179 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:37,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,181 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,181 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:37,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:37,181 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:37,196 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,196 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,196 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:37,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:37,196 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,196 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:37,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,198 - INFO - number of orbitals:  85
+2024-12-09 10:29:37,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,198 - INFO - moving on ...
+2024-12-09 10:29:37,198 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:37,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,199 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,199 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,199 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:37,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:37,199 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:37,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,215 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,215 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:37,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:37,215 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,215 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:37,215 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:37,215 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:37,215 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,215 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:37,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,217 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,217 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:37,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:37,217 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:37,232 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,232 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,232 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:37,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:37,232 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,232 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:37,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,234 - INFO - number of orbitals:  88
+2024-12-09 10:29:37,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,234 - INFO - moving on ...
+2024-12-09 10:29:37,234 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:37,234 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:37,234 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:37,235 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,235 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:37,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,236 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,236 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,236 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:37,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:37,236 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:37,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,253 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,254 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:37,254 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:37,254 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:37,254 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,254 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:37,254 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,254 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,254 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,256 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,257 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,257 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:37,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:37,257 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:37,277 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,277 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,277 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:37,277 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,278 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,278 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,280 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,280 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,280 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:37,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:37,280 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:37,297 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,297 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,297 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:37,297 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,297 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,297 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,299 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,299 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,299 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:37,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:37,300 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:37,316 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,316 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,316 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:37,316 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,317 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,317 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,318 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,318 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,319 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:37,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:37,319 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:37,335 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,335 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,335 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:37,335 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,335 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,335 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,337 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,337 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,337 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:37,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:37,337 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:37,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,353 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,354 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:37,354 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,354 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,354 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,356 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,356 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:37,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:37,356 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:37,373 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,373 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,373 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:37,373 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,373 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,373 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,375 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,375 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,375 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:37,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:37,375 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:37,392 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,392 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,392 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:37,392 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,393 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,393 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,395 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,395 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:37,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:37,395 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:37,411 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,412 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,412 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:37,412 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,412 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,412 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,414 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,414 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,414 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:37,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:37,414 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:37,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,431 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,431 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:37,431 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:37,431 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:37,431 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,431 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:37,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,433 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,433 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:37,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:37,433 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:37,449 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,450 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,450 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:37,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:37,450 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,450 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:37,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,452 - INFO - number of orbitals:  88
+2024-12-09 10:29:37,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,452 - INFO - moving on ...
+2024-12-09 10:29:37,452 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:37,452 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:37,452 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:37,452 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,452 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:37,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,454 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,454 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,454 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:37,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:37,454 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:37,471 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,472 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,472 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:37,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:37,472 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,472 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:37,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,474 - INFO - number of orbitals:  72
+2024-12-09 10:29:37,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,474 - INFO - moving on ...
+2024-12-09 10:29:37,474 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:37,474 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:37,474 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:37,475 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,475 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:37,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,476 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,476 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,476 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:37,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:37,476 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:37,492 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,493 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,493 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:37,493 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:37,493 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:37,493 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,493 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:37,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,495 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,495 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,495 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:37,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:37,495 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:37,511 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,512 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,512 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:37,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:37,512 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,512 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:37,512 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:37,512 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:37,512 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,512 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:37,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,514 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,514 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,514 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:37,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:37,514 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:37,531 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,531 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,531 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:37,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:37,531 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,531 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:37,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,533 - INFO - number of orbitals:  116
+2024-12-09 10:29:37,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,533 - INFO - moving on ...
+2024-12-09 10:29:37,533 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:37,533 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:37,533 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:37,533 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,533 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:37,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,535 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,535 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:37,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:37,535 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,551 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,551 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:37,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:37,551 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,551 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:37,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,552 - INFO - number of orbitals:  79
+2024-12-09 10:29:37,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,553 - INFO - moving on ...
+2024-12-09 10:29:37,553 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:37,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,554 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,554 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,554 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:37,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:37,554 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:37,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,570 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,570 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:37,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:37,570 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,570 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:37,570 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:37,570 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:37,570 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,570 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:37,570 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,570 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,570 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,572 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,572 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:37,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:37,572 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:37,588 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,588 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,588 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:37,588 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,589 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,589 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,590 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,591 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:37,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:37,591 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:37,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,607 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,607 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:37,607 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,607 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,607 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,609 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,609 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:37,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:37,610 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:37,625 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,626 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,626 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:37,626 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,626 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,626 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,628 - INFO - number of orbitals:  76
+2024-12-09 10:29:37,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,628 - INFO - moving on ...
+2024-12-09 10:29:37,628 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:37,628 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,628 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,628 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,630 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,630 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,630 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:37,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:37,630 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:37,645 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,646 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,646 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:37,646 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,646 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,646 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,648 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,648 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:37,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:37,648 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:37,663 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,664 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,664 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:37,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,664 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,664 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,666 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,666 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:37,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:37,666 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:37,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,683 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,683 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:37,683 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,683 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,685 - INFO - number of orbitals:  76
+2024-12-09 10:29:37,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,685 - INFO - moving on ...
+2024-12-09 10:29:37,685 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:37,685 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,685 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,685 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,687 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,687 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,687 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:37,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:37,687 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:37,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,703 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,703 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:37,703 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,703 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,703 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,705 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,705 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:37,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:37,705 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,721 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,721 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:37,722 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,722 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,722 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,723 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,724 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,724 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:37,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:37,724 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:37,739 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,740 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,740 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:37,740 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,740 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,740 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,742 - INFO - number of orbitals:  76
+2024-12-09 10:29:37,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,742 - INFO - moving on ...
+2024-12-09 10:29:37,742 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:37,742 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:37,742 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:37,742 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,742 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:37,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,743 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,743 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,743 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:37,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:37,744 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:37,759 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,759 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,759 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:37,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:37,759 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,759 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:37,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,761 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,761 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,761 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:37,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:37,761 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:37,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,777 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,777 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:37,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:37,777 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,777 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:37,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,778 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,778 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,778 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:37,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:37,778 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:37,795 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,795 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,795 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:37,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:37,795 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,795 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:37,796 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:37,796 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:37,796 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,796 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:37,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,797 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,797 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:37,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:37,797 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:37,814 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,814 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,815 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:37,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:37,815 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,815 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:37,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,816 - INFO - number of orbitals:  110
+2024-12-09 10:29:37,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,816 - INFO - moving on ...
+2024-12-09 10:29:37,816 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:37,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,818 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,818 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,818 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:37,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:37,818 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:37,834 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,834 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,834 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:37,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:37,834 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,834 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:37,835 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:37,835 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:37,835 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,835 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:37,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,836 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,836 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:37,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:37,836 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:37,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,853 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,853 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:37,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:37,853 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,853 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:37,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,855 - INFO - number of orbitals:  110
+2024-12-09 10:29:37,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,855 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,855 - INFO - moving on ...
+2024-12-09 10:29:37,855 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:37,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,856 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,856 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,856 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:37,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:37,856 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:37,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,872 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,872 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:37,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:37,873 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,873 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:37,873 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:37,873 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:37,873 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,873 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:37,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,875 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,875 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:37,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:37,875 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:37,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,891 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,891 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:37,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,891 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,891 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,893 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,893 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:37,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:37,893 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:37,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,909 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,909 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:37,909 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,909 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,909 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,911 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,911 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:37,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:37,911 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:37,927 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,928 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,928 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:37,928 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,928 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,928 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,930 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,930 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:37,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:37,930 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:37,946 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,946 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,947 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:37,947 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,947 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,947 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,949 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,949 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:37,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:37,949 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:37,965 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,966 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,966 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:37,966 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,966 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,966 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,968 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,969 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,969 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:37,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:37,969 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:37,985 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,985 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,985 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:37,986 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,986 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,986 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,988 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,988 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,988 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:37,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:37,988 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,004 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,004 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,005 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:38,005 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,005 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,005 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,007 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,007 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,007 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:38,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:38,007 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:38,024 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,024 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,024 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:38,024 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,025 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,025 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,026 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,026 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,027 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:38,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:38,027 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:38,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,043 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,044 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:38,044 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:38,044 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:38,044 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,044 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:38,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,045 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,045 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:38,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:38,046 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:38,062 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,062 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,062 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:38,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:38,062 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,062 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:38,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,064 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,064 - INFO - moving on ...
+2024-12-09 10:29:38,064 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:38,064 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:38,064 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:38,064 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,064 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:38,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,066 - INFO - number of orbitals:  76
+2024-12-09 10:29:38,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,066 - INFO - moving on ...
+2024-12-09 10:29:38,066 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:38,066 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:38,066 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:38,066 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,066 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:38,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,067 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,067 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,067 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:38,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:38,067 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:38,085 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,086 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,086 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:38,086 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:38,086 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:38,086 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,086 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:38,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,088 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,088 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,088 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:38,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:38,088 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:38,108 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,109 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,109 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:38,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:38,109 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,109 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:38,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,111 - INFO - number of orbitals:  74
+2024-12-09 10:29:38,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,112 - INFO - moving on ...
+2024-12-09 10:29:38,112 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:38,112 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:38,112 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:38,112 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,112 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:38,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,114 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,114 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,114 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:38,114 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:38,115 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,137 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,138 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,138 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:38,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:38,139 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,139 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:38,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,141 - INFO - number of orbitals:  90
+2024-12-09 10:29:38,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,141 - INFO - moving on ...
+2024-12-09 10:29:38,141 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:38,142 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:38,142 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:38,142 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,142 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:38,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,144 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,144 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,144 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:38,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:38,145 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:38,166 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,166 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,166 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:38,167 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:38,167 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:38,167 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,167 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:38,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,169 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,169 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,169 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:38,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:38,169 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:38,191 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,191 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,191 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:38,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:38,191 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,191 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:38,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,193 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,193 - INFO - moving on ...
+2024-12-09 10:29:38,193 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:38,194 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:38,194 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:38,194 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,194 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:38,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,195 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,195 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,195 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:38,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:38,195 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:38,212 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,213 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,213 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:38,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:38,213 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,213 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:38,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,214 - INFO - number of orbitals:  106
+2024-12-09 10:29:38,215 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,215 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,215 - INFO - moving on ...
+2024-12-09 10:29:38,215 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:38,215 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:38,215 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:38,215 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,215 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:38,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,216 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,216 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:38,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:38,216 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:38,233 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,234 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,234 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:38,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:38,234 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,234 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:38,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,236 - INFO - number of orbitals:  118
+2024-12-09 10:29:38,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,236 - INFO - moving on ...
+2024-12-09 10:29:38,236 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:38,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,237 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,237 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:38,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:38,237 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:38,254 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,254 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,255 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:38,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:38,255 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,255 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:38,255 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:38,255 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:38,255 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,255 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:38,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,257 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,257 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,257 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:38,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:38,257 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:38,275 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,275 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,275 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:38,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:38,275 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,275 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:38,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,277 - INFO - number of orbitals:  114
+2024-12-09 10:29:38,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,277 - INFO - moving on ...
+2024-12-09 10:29:38,277 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:38,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,279 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,279 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,279 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:38,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:38,279 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:38,296 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,296 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,296 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:38,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:38,296 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,296 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:38,297 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:38,297 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:38,297 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,297 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:38,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,298 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,298 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:38,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:38,298 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:38,315 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,316 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,316 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:38,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:38,316 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,316 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:38,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,317 - INFO - number of orbitals:  115
+2024-12-09 10:29:38,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,318 - INFO - moving on ...
+2024-12-09 10:29:38,318 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:38,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,319 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,319 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,319 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:38,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:38,319 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:38,336 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,336 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,336 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:38,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:38,337 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,337 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:38,337 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:38,337 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:38,337 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,337 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:38,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,338 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,338 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,338 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:38,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:38,339 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:38,355 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,356 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,356 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:38,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:38,356 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,356 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:38,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,358 - INFO - number of orbitals:  78
+2024-12-09 10:29:38,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,358 - INFO - moving on ...
+2024-12-09 10:29:38,358 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:38,358 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:38,358 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:38,358 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,358 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:38,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,359 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,359 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,359 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:38,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:38,360 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:38,376 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,377 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,377 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:38,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:38,377 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,377 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:38,377 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:38,377 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:38,377 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,377 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:38,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,379 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,379 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,379 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:38,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:38,379 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:38,395 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,396 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,396 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:38,396 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:38,396 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:38,396 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,396 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:38,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,397 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,398 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,398 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:38,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:38,398 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:38,414 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,414 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,414 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:38,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:38,414 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,414 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:38,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,416 - INFO - number of orbitals:  86
+2024-12-09 10:29:38,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,416 - INFO - moving on ...
+2024-12-09 10:29:38,416 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:38,416 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:38,416 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:38,416 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,416 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:38,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,418 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,418 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,418 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:38,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:38,418 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:38,433 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,434 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,434 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:38,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:38,434 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,434 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:38,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,436 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,436 - INFO - moving on ...
+2024-12-09 10:29:38,436 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:38,436 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:38,436 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:38,436 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,436 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:38,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,437 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,437 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,437 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:38,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:38,438 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:38,454 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,454 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,454 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:38,454 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:38,454 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:38,454 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,454 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:38,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,456 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,456 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,456 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:38,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:38,456 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:38,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,472 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,472 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:38,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:38,472 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,472 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:38,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,474 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,474 - INFO - moving on ...
+2024-12-09 10:29:38,474 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:38,474 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:38,474 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:38,474 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,474 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:38,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,476 - INFO - number of orbitals:  76
+2024-12-09 10:29:38,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,476 - INFO - moving on ...
+2024-12-09 10:29:38,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:38,476 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:38,476 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:38,476 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,476 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:38,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,477 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,477 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,477 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:38,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:38,477 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:38,494 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,494 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,494 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:38,495 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:38,495 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:38,495 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,495 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:38,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,496 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,496 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,496 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:38,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:38,496 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,512 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,513 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,513 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:38,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:38,513 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,513 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:38,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,514 - INFO - number of orbitals:  116
+2024-12-09 10:29:38,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,515 - INFO - moving on ...
+2024-12-09 10:29:38,515 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:38,515 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:38,515 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:38,515 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,515 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:38,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,516 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,516 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,516 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:38,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:38,516 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:38,532 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,533 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,533 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:38,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:38,533 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,533 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:38,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,534 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,535 - INFO - moving on ...
+2024-12-09 10:29:38,535 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:38,535 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:38,535 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:38,535 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,535 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:38,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,536 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,536 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,536 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:38,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:38,536 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:38,552 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,552 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,552 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:38,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:38,553 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,553 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:38,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,554 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,554 - INFO - moving on ...
+2024-12-09 10:29:38,554 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:38,554 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:38,554 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:38,554 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,554 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:38,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,556 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,556 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,556 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:38,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:38,556 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:38,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,572 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,572 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:38,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:38,572 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,572 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:38,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,573 - INFO - number of orbitals:  110
+2024-12-09 10:29:38,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,574 - INFO - moving on ...
+2024-12-09 10:29:38,574 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:38,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,575 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,575 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,575 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:38,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:38,575 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:38,591 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,592 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,592 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:38,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:38,592 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,592 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:38,592 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:38,592 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:38,592 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,592 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:38,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,594 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,594 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,594 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:38,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:38,594 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:38,610 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,611 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,611 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:38,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:38,611 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,611 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:38,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,612 - INFO - number of orbitals:  135
+2024-12-09 10:29:38,612 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,612 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,613 - INFO - moving on ...
+2024-12-09 10:29:38,613 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:38,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,614 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,614 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,614 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,614 - INFO - moving on ...
+2024-12-09 10:29:38,614 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:38,614 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:38,614 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:38,614 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,614 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:38,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,615 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,616 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,616 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:38,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:38,616 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:38,632 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,632 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,632 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:38,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:38,632 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,632 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:38,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,634 - INFO - number of orbitals:  119
+2024-12-09 10:29:38,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,634 - INFO - moving on ...
+2024-12-09 10:29:38,634 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:38,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,635 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:38,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:38,636 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:38,652 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,652 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,652 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:38,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:38,652 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,652 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:38,652 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:38,653 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:38,653 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,653 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:38,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,654 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,654 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,654 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:38,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:38,655 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:38,672 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,672 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,672 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:38,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:38,672 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,672 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:38,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,674 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,674 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,674 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:38,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:38,674 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,690 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,691 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,691 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:38,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:38,691 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,691 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:38,691 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:38,691 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:38,691 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,691 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:38,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,693 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,693 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,693 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:38,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:38,693 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:38,709 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,710 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,710 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:38,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:38,710 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,710 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:38,710 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:38,710 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:38,710 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,710 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:38,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,712 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,712 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,712 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:38,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:38,712 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:38,728 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,729 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,729 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:38,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:38,729 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,729 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:38,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,731 - INFO - number of orbitals:  89
+2024-12-09 10:29:38,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,731 - INFO - moving on ...
+2024-12-09 10:29:38,731 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:38,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,733 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,733 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,733 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:38,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:38,733 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:38,750 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,751 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,751 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:38,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:38,751 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,751 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:38,751 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:38,751 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:38,751 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,751 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:38,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,753 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,753 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:38,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:38,753 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:38,769 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,770 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,770 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:38,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:38,770 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,770 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:38,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,772 - INFO - number of orbitals:  94
+2024-12-09 10:29:38,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,772 - INFO - moving on ...
+2024-12-09 10:29:38,772 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:38,772 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:38,772 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:38,772 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,772 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:38,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,774 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,774 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,774 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:38,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:38,774 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:38,792 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,792 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,792 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:38,792 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:38,792 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:38,792 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,792 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:38,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,794 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,794 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,794 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:38,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:38,794 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:38,811 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,811 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,811 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:38,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:38,811 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,811 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:38,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,813 - INFO - number of orbitals:  79
+2024-12-09 10:29:38,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,813 - INFO - moving on ...
+2024-12-09 10:29:38,813 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:38,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,814 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,814 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,814 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:38,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:38,814 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:38,831 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,831 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,831 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:38,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:38,831 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,831 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:38,832 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:38,832 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:38,832 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,832 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:38,832 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,832 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,832 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,834 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,834 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,834 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:38,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:38,834 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:38,850 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,851 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,851 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:38,851 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,851 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,851 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,853 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,854 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,854 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:38,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:38,854 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:38,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,872 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,872 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:38,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,875 - INFO - number of orbitals:  90
+2024-12-09 10:29:38,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,875 - INFO - moving on ...
+2024-12-09 10:29:38,875 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:38,875 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,875 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,875 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,877 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,877 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,877 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:38,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:38,877 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:38,894 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,894 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,894 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:38,894 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,894 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,894 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,896 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,896 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,896 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:38,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:38,896 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:38,913 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,914 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,914 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:38,914 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,914 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,914 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,916 - INFO - number of orbitals:  90
+2024-12-09 10:29:38,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,916 - INFO - moving on ...
+2024-12-09 10:29:38,916 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:38,916 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:38,916 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:38,916 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,916 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:38,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,917 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,918 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,918 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:38,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:38,918 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:38,934 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,934 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,934 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:38,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:38,934 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,934 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:38,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,936 - INFO - number of orbitals:  115
+2024-12-09 10:29:38,936 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,936 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,936 - INFO - moving on ...
+2024-12-09 10:29:38,936 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:38,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,937 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,938 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,938 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:38,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:38,938 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:38,954 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,954 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,954 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:38,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:38,954 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,954 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:38,955 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:38,955 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:38,955 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,955 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:38,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,956 - INFO - number of orbitals:  76
+2024-12-09 10:29:38,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,956 - INFO - moving on ...
+2024-12-09 10:29:38,956 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:38,956 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:38,956 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:38,956 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,956 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:38,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,958 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,958 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,958 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:38,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:38,958 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:38,974 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,975 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,975 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:38,975 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:38,975 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:38,975 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,975 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:38,975 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,975 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,975 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,977 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,977 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,977 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:38,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:38,978 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,994 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,995 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,995 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:38,995 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,995 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,995 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,997 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,997 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,997 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:38,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:38,997 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:39,014 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,015 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,015 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:39,015 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,015 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,015 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,017 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,017 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,017 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:39,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:39,017 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,034 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,035 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,035 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:39,035 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,035 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,035 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,037 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,037 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,037 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:39,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:39,037 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:39,054 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,054 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,055 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:39,055 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,055 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,055 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,057 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,057 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,057 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:39,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:39,057 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:39,075 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,075 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,076 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:39,076 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,076 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,076 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,078 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,078 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,078 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:39,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:39,078 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,095 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,095 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:39,095 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:39,096 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:39,096 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,096 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:39,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,098 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:39,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:39,098 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,114 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,115 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,115 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:39,115 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,115 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,115 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,117 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,117 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,117 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:39,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:39,117 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:39,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,136 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,136 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:39,136 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,136 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,136 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,138 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,138 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,138 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:39,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:39,138 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:39,156 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,156 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,156 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:39,157 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:39,157 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:39,157 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,157 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:39,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,158 - INFO - number of orbitals:  76
+2024-12-09 10:29:39,158 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:39,158 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,158 - INFO - moving on ...
+2024-12-09 10:29:39,158 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:39,159 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:39,159 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:39,159 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,159 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:39,159 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,159 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,159 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,161 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,161 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:39,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:39,161 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:39,178 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,179 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,179 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:39,179 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,179 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,179 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,181 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,181 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:39,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:39,181 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:39,206 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,207 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,207 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:39,207 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,207 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,207 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,209 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,209 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,209 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:39,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:39,209 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:39,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,226 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,226 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:39,226 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,226 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,226 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,228 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,228 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,228 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:39,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:39,228 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,245 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,245 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,245 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:39,245 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,245 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,245 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,247 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,247 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,247 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:39,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:39,247 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:39,263 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,264 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,264 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:39,264 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,264 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,264 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,266 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,266 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:39,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:39,266 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:39,283 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,283 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,283 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:39,283 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,283 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,283 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,285 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,285 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,285 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:39,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:39,285 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:39,302 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,302 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,302 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:39,302 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,302 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,302 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,304 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,304 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,304 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:39,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:39,304 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:39,321 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,321 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,321 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:39,321 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,322 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,322 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,323 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,323 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,323 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:39,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:39,324 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:39,339 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,340 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,340 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:39,340 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,340 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,340 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,342 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,342 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,342 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:39,342 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:39,342 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:39,358 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,359 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,359 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:39,359 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,359 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,359 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,361 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,361 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,361 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:39,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:39,361 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:39,378 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,378 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,378 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:39,378 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,378 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,378 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,380 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,380 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,380 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:39,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:39,381 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,397 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,397 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,397 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:39,397 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,397 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,397 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,399 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,400 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,400 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:39,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:39,400 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:39,416 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,417 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,417 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:39,417 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,417 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,417 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,419 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,419 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,419 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:39,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:39,419 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:39,435 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,436 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,436 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:39,436 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,436 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,436 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,438 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,438 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,438 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:39,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:39,438 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:39,454 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,454 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,454 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:39,454 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,455 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,455 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,457 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,457 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,457 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:39,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:39,457 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:39,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,473 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,473 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:39,473 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:39,473 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:39,473 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,473 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:39,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,475 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,475 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,475 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:39,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:39,475 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:39,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,491 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,492 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:39,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:39,492 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,492 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:39,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,493 - INFO - number of orbitals:  90
+2024-12-09 10:29:39,493 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:39,493 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,493 - INFO - moving on ...
+2024-12-09 10:29:39,493 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:39,494 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:39,494 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:39,494 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,494 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:39,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,495 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,495 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,495 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:39,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:39,495 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:39,512 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,512 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,512 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:39,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:39,512 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,512 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:39,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,514 - INFO - number of orbitals:  118
+2024-12-09 10:29:39,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,514 - INFO - moving on ...
+2024-12-09 10:29:39,514 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:39,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,516 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,516 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,516 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:39,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:39,516 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,532 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,533 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,533 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:39,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:39,533 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,533 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:39,533 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:39,533 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:39,533 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,533 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:39,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,535 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:39,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:39,535 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:39,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,551 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,551 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:39,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:39,551 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,551 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:39,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,553 - INFO - number of orbitals:  88
+2024-12-09 10:29:39,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,553 - INFO - moving on ...
+2024-12-09 10:29:39,553 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:39,553 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:39,553 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:39,553 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,553 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:39,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,554 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,554 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,554 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:39,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:39,554 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,571 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,572 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:39,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:39,572 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,572 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:39,572 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:39,572 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:39,572 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,572 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:39,572 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,572 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,572 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,575 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,575 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,575 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:39,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:39,575 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:39,591 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,592 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,592 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:39,592 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,592 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,592 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,594 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,594 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,594 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:39,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:39,594 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:39,611 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,612 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,612 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:39,612 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,612 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,612 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,614 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,614 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,614 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:39,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:39,614 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,631 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,632 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,632 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:39,632 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,632 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,632 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,634 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,634 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,634 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:39,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:39,634 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,652 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,652 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,652 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:39,652 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,652 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,653 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,655 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,655 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,655 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:39,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:39,655 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:39,678 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,679 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,679 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:39,679 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,679 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,679 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,682 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,682 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,682 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:39,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:39,682 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:39,703 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,703 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,703 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:39,703 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,703 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,703 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,706 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,706 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:39,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:39,706 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:39,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,726 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,726 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:39,726 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,726 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,726 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,729 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,729 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:39,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:39,729 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:39,750 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,751 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,751 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:39,751 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,751 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,751 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,754 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,754 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,754 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:39,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:39,755 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:39,778 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,779 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,779 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:39,779 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,779 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,779 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,782 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,783 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,783 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:39,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:39,783 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:39,807 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,807 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,807 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:39,808 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,808 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,808 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,811 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,811 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,811 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:39,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:39,811 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,835 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,836 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,836 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:39,836 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,836 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,836 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,839 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,839 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,840 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:39,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:39,840 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:39,863 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,863 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,863 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:39,864 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:39,864 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:39,864 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,864 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:39,864 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,864 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,864 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,867 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,867 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,867 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:39,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:39,867 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:39,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,891 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,891 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:39,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,891 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,891 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,894 - INFO - number of orbitals:  108
+2024-12-09 10:29:39,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,894 - INFO - moving on ...
+2024-12-09 10:29:39,894 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:39,894 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:39,894 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:39,894 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,894 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:39,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,896 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,896 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,896 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:39,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:39,896 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:39,921 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,921 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,921 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:39,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:39,922 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,922 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:39,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,924 - INFO - number of orbitals:  135
+2024-12-09 10:29:39,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,924 - INFO - moving on ...
+2024-12-09 10:29:39,924 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:39,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,926 - INFO - number of orbitals:  88
+2024-12-09 10:29:39,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,926 - INFO - moving on ...
+2024-12-09 10:29:39,926 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:39,926 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:39,926 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:39,926 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,926 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:39,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,928 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,928 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,928 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:39,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:39,928 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:39,953 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,953 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,953 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:39,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:39,954 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,954 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:39,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,956 - INFO - number of orbitals:  88
+2024-12-09 10:29:39,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,956 - INFO - moving on ...
+2024-12-09 10:29:39,956 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:39,956 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:39,956 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:39,956 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,956 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:39,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,958 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,958 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,958 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:39,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:39,959 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,982 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,982 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:39,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:39,983 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,983 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:39,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,985 - INFO - number of orbitals:  88
+2024-12-09 10:29:39,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,985 - INFO - moving on ...
+2024-12-09 10:29:39,985 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:39,985 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:39,985 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:39,986 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,986 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:39,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,988 - INFO - number of orbitals:  76
+2024-12-09 10:29:39,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,988 - INFO - moving on ...
+2024-12-09 10:29:39,988 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:39,988 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:39,988 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:39,988 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,988 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:39,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,990 - INFO - number of orbitals:  76
+2024-12-09 10:29:39,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,990 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,990 - INFO - moving on ...
+2024-12-09 10:29:39,990 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:39,991 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:39,991 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:39,991 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,991 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:39,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,992 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,992 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,992 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:39,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:39,993 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:40,011 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,011 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,011 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:40,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:40,011 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,011 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:40,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,013 - INFO - number of orbitals:  118
+2024-12-09 10:29:40,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,013 - INFO - moving on ...
+2024-12-09 10:29:40,013 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:40,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,015 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,015 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,015 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:40,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:40,015 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:40,035 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,036 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,036 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:40,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:40,036 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,036 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:40,036 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:40,036 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:40,036 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,036 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:40,036 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,037 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,037 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,039 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,039 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,039 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:40,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:40,039 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:40,057 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,057 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,057 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:40,057 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,057 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,057 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,060 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,060 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:40,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:40,060 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:40,077 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,078 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,078 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:40,078 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,078 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,078 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,080 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,080 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,080 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:40,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:40,081 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:40,098 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,099 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,099 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:40,099 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,099 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,101 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,101 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:40,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:40,101 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:40,118 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,119 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,119 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:40,119 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,119 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,119 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,121 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,121 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,121 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:40,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:40,121 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:40,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,139 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,139 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:40,140 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,140 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,140 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,142 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,142 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,142 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:40,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:40,142 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:40,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,159 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,159 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:40,159 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,160 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,160 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,162 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,162 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:40,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:40,162 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:40,178 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,179 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,179 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:40,179 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,179 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,179 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,181 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,181 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:40,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:40,181 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:40,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,199 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,199 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:40,199 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:40,199 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:40,199 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,199 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:40,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,201 - INFO - number of orbitals:  76
+2024-12-09 10:29:40,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,201 - INFO - moving on ...
+2024-12-09 10:29:40,201 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:40,201 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:40,201 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:40,201 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,201 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:40,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,202 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,203 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,203 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:40,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:40,203 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:40,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,220 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,220 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:40,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:40,220 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,220 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:40,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,222 - INFO - number of orbitals:  76
+2024-12-09 10:29:40,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,222 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,222 - INFO - moving on ...
+2024-12-09 10:29:40,222 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:40,222 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:40,222 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:40,222 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,222 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:40,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,224 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,224 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,224 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:40,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:40,224 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:40,241 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,241 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,241 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:40,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:40,241 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,241 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:40,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,243 - INFO - number of orbitals:  119
+2024-12-09 10:29:40,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,243 - INFO - moving on ...
+2024-12-09 10:29:40,243 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:40,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,245 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,245 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,245 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:40,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:40,245 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:40,262 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,263 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,263 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:40,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:40,263 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,263 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:40,263 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:40,263 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:40,263 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,263 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:40,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,265 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,265 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,265 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:40,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:40,265 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:40,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,282 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,283 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:40,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:40,283 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,283 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:40,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,284 - INFO - number of orbitals:  135
+2024-12-09 10:29:40,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,284 - INFO - moving on ...
+2024-12-09 10:29:40,284 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:40,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,286 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,286 - INFO - moving on ...
+2024-12-09 10:29:40,286 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:40,286 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:40,286 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:40,286 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,286 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:40,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,288 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,288 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,288 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:40,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:40,288 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:40,306 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,307 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,307 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:40,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:40,307 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,307 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:40,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,309 - INFO - number of orbitals:  118
+2024-12-09 10:29:40,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,309 - INFO - moving on ...
+2024-12-09 10:29:40,309 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:40,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,311 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,311 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:40,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:40,311 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:40,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,334 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,334 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:40,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:40,334 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,334 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:40,334 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:40,334 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:40,335 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,335 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:40,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,336 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,337 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:40,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:40,337 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:40,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,354 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,354 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:40,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:40,354 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,354 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:40,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,355 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,356 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,356 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,356 - INFO - moving on ...
+2024-12-09 10:29:40,356 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:40,356 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:40,356 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:40,356 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,356 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:40,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,357 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,357 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,357 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:40,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:40,357 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:40,374 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,374 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,375 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:40,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:40,375 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,375 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:40,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,377 - INFO - number of orbitals:  110
+2024-12-09 10:29:40,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,377 - INFO - moving on ...
+2024-12-09 10:29:40,377 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:40,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,379 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,379 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,379 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:40,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:40,379 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:40,399 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,400 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,400 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:40,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:40,400 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,400 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:40,400 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:40,400 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:40,400 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,400 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:40,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,402 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,402 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,402 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:40,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:40,402 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:40,419 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,419 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,419 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:40,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:40,419 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,419 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:40,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,421 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,421 - INFO - moving on ...
+2024-12-09 10:29:40,421 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:40,422 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:40,422 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:40,422 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,422 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:40,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,423 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,423 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,423 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:40,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:40,423 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:40,441 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,442 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,442 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:40,442 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:40,442 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:40,442 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,442 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:40,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,444 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,444 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,444 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:40,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:40,444 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:40,461 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,461 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,461 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:40,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:40,461 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,461 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:40,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,463 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,463 - INFO - moving on ...
+2024-12-09 10:29:40,463 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:40,463 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:40,463 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:40,463 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,463 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:40,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,465 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,465 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,465 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:40,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:40,465 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:40,481 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,482 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,482 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:40,482 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:40,482 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:40,482 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,482 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:40,482 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,482 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,482 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,485 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,485 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:40,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:40,485 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:40,502 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,502 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,502 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:40,502 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,502 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,502 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,504 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,504 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,505 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:40,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:40,505 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:40,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,522 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,522 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:40,522 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,522 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,522 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,524 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,524 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,524 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:40,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:40,524 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:40,541 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,541 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,541 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:40,541 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,542 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,542 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,543 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,544 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,544 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:40,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:40,544 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:40,560 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,560 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,560 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:40,561 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:40,561 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:40,561 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,561 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:40,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,562 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,562 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:40,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:40,562 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:40,579 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,579 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,579 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:40,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:40,579 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,579 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:40,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,581 - INFO - number of orbitals:  85
+2024-12-09 10:29:40,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,581 - INFO - moving on ...
+2024-12-09 10:29:40,581 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:40,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,582 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,582 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:40,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:40,582 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:40,601 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,601 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,602 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:40,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:40,602 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,602 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:40,602 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:40,602 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:40,602 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,602 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:40,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,604 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,604 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:40,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:40,604 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:40,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,627 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,627 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:40,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:40,627 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,627 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:40,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,629 - INFO - number of orbitals:  110
+2024-12-09 10:29:40,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,629 - INFO - moving on ...
+2024-12-09 10:29:40,629 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:40,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,631 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,631 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,631 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:40,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:40,631 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:40,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,650 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,650 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:40,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:40,650 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,650 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:40,650 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:40,650 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:40,650 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,650 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:40,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,652 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,652 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,652 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:40,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:40,652 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:40,671 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,671 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,671 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:40,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:40,671 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,672 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:40,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,673 - INFO - number of orbitals:  85
+2024-12-09 10:29:40,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,674 - INFO - moving on ...
+2024-12-09 10:29:40,674 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:40,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,675 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,675 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,676 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:40,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:40,676 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:40,693 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,693 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,693 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:40,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:40,694 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,694 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:40,694 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:40,694 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:40,694 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,694 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:40,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,696 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,696 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,696 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:40,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:40,696 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:40,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,713 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,713 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:40,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:40,713 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,713 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:40,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,715 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,715 - INFO - moving on ...
+2024-12-09 10:29:40,715 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:40,715 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:40,715 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:40,715 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,715 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:40,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,717 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,717 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,717 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:40,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:40,717 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:40,733 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,734 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,734 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:40,734 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:40,734 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:40,734 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,734 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:40,734 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,734 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,736 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,736 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,737 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:40,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:40,737 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:40,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,754 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,754 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:40,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,754 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,754 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,756 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,756 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:40,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:40,757 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:40,774 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,775 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,775 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:40,775 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,775 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,777 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,777 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:40,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:40,777 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:40,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,795 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,795 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:40,795 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,795 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,797 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,797 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:40,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:40,797 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:40,814 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,814 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,814 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:40,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,816 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,816 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:40,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:40,816 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:40,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,833 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,834 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:40,834 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,836 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,836 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:40,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:40,836 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:40,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,853 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,853 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:40,853 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,855 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,855 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:40,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:40,855 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:40,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,872 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,872 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:40,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,874 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:40,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:40,875 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:40,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,892 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,892 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:40,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,894 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,894 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:40,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:40,894 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:40,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,911 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,911 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:40,911 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:40,911 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:40,911 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,911 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:40,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,913 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,913 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:40,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:40,913 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:40,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,930 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,930 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:40,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:40,930 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,930 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:40,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,932 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,932 - INFO - moving on ...
+2024-12-09 10:29:40,932 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:40,932 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:40,932 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:40,932 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,932 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:40,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,933 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,933 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,933 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:40,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:40,934 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:40,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,950 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,950 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:40,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:40,951 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,951 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:40,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,952 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,952 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:40,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:40,952 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:40,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,969 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,969 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:40,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:40,969 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,969 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:40,969 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:40,969 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:40,969 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,969 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:40,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,971 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,971 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,971 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:40,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:40,971 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:40,987 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,987 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,988 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:40,988 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:40,988 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:40,988 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,988 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:40,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,989 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,990 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:40,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:40,990 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:41,007 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,008 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,008 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:41,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:41,008 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,008 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:41,008 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:41,008 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:41,009 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,009 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:41,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,010 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,010 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,010 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:41,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:41,010 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:41,027 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,027 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,027 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:41,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:41,028 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,028 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:41,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,029 - INFO - number of orbitals:  116
+2024-12-09 10:29:41,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,029 - INFO - moving on ...
+2024-12-09 10:29:41,029 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:41,029 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:41,029 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:41,029 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,029 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:41,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,031 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,031 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:41,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:41,031 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:41,047 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,048 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,048 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:41,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:41,048 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,048 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:41,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,050 - INFO - number of orbitals:  79
+2024-12-09 10:29:41,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,050 - INFO - moving on ...
+2024-12-09 10:29:41,050 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:41,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,051 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,051 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,051 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:41,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:41,051 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:41,067 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,068 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,068 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:41,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:41,068 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,068 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:41,068 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:41,068 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:41,068 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,068 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:41,068 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,068 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,069 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,070 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,071 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,071 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:41,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:41,071 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:41,087 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,088 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,088 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:41,088 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,088 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,088 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,090 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,090 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:41,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:41,090 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:41,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,107 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,107 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:41,107 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,107 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,107 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,109 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,109 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,109 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:41,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:41,109 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:41,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,126 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,126 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:41,126 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,127 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,129 - INFO - number of orbitals:  76
+2024-12-09 10:29:41,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,129 - INFO - moving on ...
+2024-12-09 10:29:41,129 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:41,129 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,129 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,129 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,131 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,131 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,131 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:41,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:41,131 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:41,147 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,148 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,148 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:41,148 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,148 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,148 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,150 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,150 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,150 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:41,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:41,150 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:41,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,168 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,168 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:41,168 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,168 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,168 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,171 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,171 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:41,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:41,171 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:41,188 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,188 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,188 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:41,188 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,190 - INFO - number of orbitals:  76
+2024-12-09 10:29:41,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,191 - INFO - moving on ...
+2024-12-09 10:29:41,191 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:41,191 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,191 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,191 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,193 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,193 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,193 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:41,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:41,193 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:41,209 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,209 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,210 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:41,210 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,210 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,210 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,212 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,212 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,212 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:41,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:41,212 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:41,229 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,229 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,229 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:41,229 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,229 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,229 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,231 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,231 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,232 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:41,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:41,232 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:41,248 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,248 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,248 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:41,249 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,249 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,249 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,251 - INFO - number of orbitals:  76
+2024-12-09 10:29:41,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,251 - INFO - moving on ...
+2024-12-09 10:29:41,251 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:41,251 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:41,251 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:41,251 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,251 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:41,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,252 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,252 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,252 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:41,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:41,253 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:41,269 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,270 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,270 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:41,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:41,270 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,270 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:41,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,271 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,271 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,272 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:41,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:41,272 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:41,288 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,289 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,289 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:41,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:41,289 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,289 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:41,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,291 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,291 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,291 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:41,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:41,291 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:41,307 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,308 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,308 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:41,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:41,308 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,308 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:41,308 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:41,308 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:41,308 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,308 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:41,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,310 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,310 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,310 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:41,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:41,310 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:41,326 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,327 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,327 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:41,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:41,327 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,327 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:41,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,329 - INFO - number of orbitals:  110
+2024-12-09 10:29:41,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,329 - INFO - moving on ...
+2024-12-09 10:29:41,329 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:41,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,330 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,330 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,330 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:41,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:41,330 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:41,346 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,347 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,347 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:41,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:41,347 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,347 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:41,347 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:41,347 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:41,347 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,347 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:41,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,349 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,349 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,349 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:41,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:41,349 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:41,365 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,366 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,366 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:41,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:41,366 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,366 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:41,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,368 - INFO - number of orbitals:  110
+2024-12-09 10:29:41,368 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,368 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,368 - INFO - moving on ...
+2024-12-09 10:29:41,368 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:41,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,369 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,369 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:41,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:41,369 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:41,386 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,386 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,386 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:41,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:41,387 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,387 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:41,387 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:41,387 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:41,387 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,387 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:41,387 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,387 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,387 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,389 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,389 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,389 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:41,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:41,390 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:41,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,407 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,407 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:41,407 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,407 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,407 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,409 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,409 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:41,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:41,409 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:41,426 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,427 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,427 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:41,427 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,427 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,427 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,429 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,429 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,429 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:41,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:41,429 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:41,446 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,446 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,446 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:41,446 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,446 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,447 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,448 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,448 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,449 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:41,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:41,449 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:41,465 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,466 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,466 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:41,466 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,466 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,466 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,468 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,468 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,468 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:41,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:41,468 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:41,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,485 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,485 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:41,485 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,485 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,485 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,487 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,487 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,487 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:41,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:41,487 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:41,504 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,504 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,504 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:41,504 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,504 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,505 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,507 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,507 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:41,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:41,507 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:41,524 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,524 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,525 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:41,525 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,525 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,525 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,527 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,527 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,527 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:41,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:41,527 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:41,544 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,544 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,544 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:41,544 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,545 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,545 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,547 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,547 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:41,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:41,547 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:41,563 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,563 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,563 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:41,564 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:41,564 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:41,564 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,564 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:41,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,565 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,565 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:41,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:41,565 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:41,582 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,582 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,582 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:41,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:41,582 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,582 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:41,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,584 - INFO - number of orbitals:  88
+2024-12-09 10:29:41,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,584 - INFO - moving on ...
+2024-12-09 10:29:41,584 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:41,584 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:41,584 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:41,584 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,584 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:41,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,585 - INFO - number of orbitals:  76
+2024-12-09 10:29:41,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,586 - INFO - moving on ...
+2024-12-09 10:29:41,586 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:41,586 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:41,586 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:41,586 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,586 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:41,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,587 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,587 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,587 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:41,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:41,587 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:41,603 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,604 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,604 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:41,604 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:41,604 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:41,604 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,604 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:41,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,606 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,606 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,606 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:41,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:41,606 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:41,622 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,623 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,623 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:41,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:41,623 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,623 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:41,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,624 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,624 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,624 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:41,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:41,625 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:41,643 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,644 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,644 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:41,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:41,644 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,644 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:41,644 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:41,644 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:41,644 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,644 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:41,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,647 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,647 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,647 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:41,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:41,647 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:41,669 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,670 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,670 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:41,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:41,670 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,670 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:41,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,672 - INFO - number of orbitals:  90
+2024-12-09 10:29:41,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,672 - INFO - moving on ...
+2024-12-09 10:29:41,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:41,673 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:41,673 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:41,673 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,673 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:41,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,675 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,675 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,675 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:41,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:41,675 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:41,699 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,699 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,700 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:41,700 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:41,700 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:41,700 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,700 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:41,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,702 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,702 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,702 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:41,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:41,702 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:41,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,726 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,727 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:41,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:41,727 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,727 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:41,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,729 - INFO - number of orbitals:  88
+2024-12-09 10:29:41,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,729 - INFO - moving on ...
+2024-12-09 10:29:41,729 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:41,730 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:41,730 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:41,730 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,730 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:41,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,731 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,731 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,731 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:41,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:41,731 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:41,747 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,748 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,748 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:41,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:41,748 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,748 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:41,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,750 - INFO - number of orbitals:  106
+2024-12-09 10:29:41,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,750 - INFO - moving on ...
+2024-12-09 10:29:41,750 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:41,750 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:41,750 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:41,750 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,750 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:41,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,751 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,751 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,751 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:41,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:41,751 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:41,768 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,769 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,769 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:41,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:41,769 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,769 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:41,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,770 - INFO - number of orbitals:  118
+2024-12-09 10:29:41,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,770 - INFO - moving on ...
+2024-12-09 10:29:41,770 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:41,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,772 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,772 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,772 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:41,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:41,772 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:41,788 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,789 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,789 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:41,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:41,789 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,789 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:41,789 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:41,789 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:41,789 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,789 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:41,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,791 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,791 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,791 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:41,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:41,791 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:41,807 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,808 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,808 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:41,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:41,808 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,808 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:41,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,810 - INFO - number of orbitals:  114
+2024-12-09 10:29:41,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,810 - INFO - moving on ...
+2024-12-09 10:29:41,810 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:41,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,811 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,811 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,811 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:41,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:41,811 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:41,827 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,827 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,827 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:41,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:41,827 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,827 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:41,828 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:41,828 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:41,828 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,828 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:41,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,829 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,829 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,829 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:41,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:41,829 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:41,845 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,846 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,846 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:41,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:41,846 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,846 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:41,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,847 - INFO - number of orbitals:  115
+2024-12-09 10:29:41,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,847 - INFO - moving on ...
+2024-12-09 10:29:41,847 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:41,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,849 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,849 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,849 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:41,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:41,849 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:41,865 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,866 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,866 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:41,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:41,866 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,866 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:41,866 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:41,866 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:41,866 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,866 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:41,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,868 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,868 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:41,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:41,868 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:41,884 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,884 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,884 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:41,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:41,884 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,884 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:41,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,886 - INFO - number of orbitals:  78
+2024-12-09 10:29:41,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,886 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,886 - INFO - moving on ...
+2024-12-09 10:29:41,886 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:41,886 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:41,886 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:41,886 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,886 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:41,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,888 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,888 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,888 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:41,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:41,888 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:41,904 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,905 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,905 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:41,905 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:41,905 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,905 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:41,905 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:41,905 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:41,905 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,905 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:41,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,907 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,907 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,907 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:41,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:41,907 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:41,923 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,923 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,923 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:41,923 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:41,923 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:41,923 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,923 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:41,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,925 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,925 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,925 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:41,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:41,925 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:41,942 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,942 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,942 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:41,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:41,942 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,942 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:41,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,944 - INFO - number of orbitals:  86
+2024-12-09 10:29:41,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,944 - INFO - moving on ...
+2024-12-09 10:29:41,944 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:41,944 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:41,944 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:41,944 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,944 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:41,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,946 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,946 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:41,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:41,946 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:41,962 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,962 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,962 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:41,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:41,963 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,963 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:41,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,964 - INFO - number of orbitals:  88
+2024-12-09 10:29:41,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,964 - INFO - moving on ...
+2024-12-09 10:29:41,964 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:41,965 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:41,965 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:41,965 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,965 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:41,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,966 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,966 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,966 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:41,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:41,966 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:41,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,983 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,983 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:41,983 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:41,983 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:41,983 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,983 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:41,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,984 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,984 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:41,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:41,985 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:42,000 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,001 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,001 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:42,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:42,001 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,001 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:42,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,002 - INFO - number of orbitals:  88
+2024-12-09 10:29:42,002 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,003 - INFO - moving on ...
+2024-12-09 10:29:42,003 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:42,003 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:42,003 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:42,003 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,003 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:42,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,004 - INFO - number of orbitals:  76
+2024-12-09 10:29:42,004 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,004 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,004 - INFO - moving on ...
+2024-12-09 10:29:42,005 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:42,005 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:42,005 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:42,005 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,005 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:42,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,006 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,006 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,006 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:42,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:42,006 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:42,022 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,022 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,022 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:42,022 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:42,022 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:42,022 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,022 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:42,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,024 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,024 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,024 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:42,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:42,024 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:42,039 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,040 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,040 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:42,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:42,040 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,040 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:42,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,041 - INFO - number of orbitals:  116
+2024-12-09 10:29:42,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,041 - INFO - moving on ...
+2024-12-09 10:29:42,041 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:42,041 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:42,042 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:42,042 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,042 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:42,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,043 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,043 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,043 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:42,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:42,043 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:42,059 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,059 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,059 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:42,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:42,059 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,059 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:42,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,060 - INFO - number of orbitals:  88
+2024-12-09 10:29:42,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,061 - INFO - moving on ...
+2024-12-09 10:29:42,061 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:42,061 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:42,061 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:42,061 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,061 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:42,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,062 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,062 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,062 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:42,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:42,062 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:42,078 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,078 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,079 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:42,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:42,079 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,079 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:42,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,080 - INFO - number of orbitals:  88
+2024-12-09 10:29:42,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,080 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,080 - INFO - moving on ...
+2024-12-09 10:29:42,080 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:42,080 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:42,080 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:42,080 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,080 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:42,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,082 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,082 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,082 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:42,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:42,082 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:42,098 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,098 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,098 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:42,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:42,098 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,098 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:42,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,099 - INFO - number of orbitals:  110
+2024-12-09 10:29:42,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,100 - INFO - moving on ...
+2024-12-09 10:29:42,100 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:42,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,101 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,101 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:42,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:42,101 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:42,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,117 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,117 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:42,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:42,117 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,117 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:42,117 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:42,117 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:42,118 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,118 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:42,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,119 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,119 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,119 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:42,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:42,119 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:42,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,136 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,136 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:42,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:42,136 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,136 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:42,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,137 - INFO - number of orbitals:  135
+2024-12-09 10:29:42,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,138 - INFO - moving on ...
+2024-12-09 10:29:42,138 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:42,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,139 - INFO - number of orbitals:  88
+2024-12-09 10:29:42,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,139 - INFO - moving on ...
+2024-12-09 10:29:42,139 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:42,140 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:42,140 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:42,140 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,140 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:42,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,141 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,142 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:42,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:42,142 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:42,157 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,157 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,157 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:42,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:42,158 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,158 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:42,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,159 - INFO - number of orbitals:  119
+2024-12-09 10:29:42,159 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,159 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,159 - INFO - moving on ...
+2024-12-09 10:29:42,159 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:42,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,160 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,160 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,160 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:42,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:42,160 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:42,176 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,176 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,176 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:42,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:42,176 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,176 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:42,176 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:42,176 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:42,177 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,177 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:42,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,178 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,178 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,178 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:42,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:42,178 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:42,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,194 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,194 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:42,194 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:42,194 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,194 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:42,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,195 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,195 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,195 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:42,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:42,195 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:42,210 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,211 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,211 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:42,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:42,211 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,211 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:42,211 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:42,211 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:42,211 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,211 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:42,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,212 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,212 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,213 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:42,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:42,213 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:42,229 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,230 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,230 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:42,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:42,230 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,230 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:42,230 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:42,230 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:42,230 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,230 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:42,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,232 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,232 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,232 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:42,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:42,232 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:42,248 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,248 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,249 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:42,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:42,249 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,249 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:42,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,250 - INFO - number of orbitals:  89
+2024-12-09 10:29:42,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,250 - INFO - moving on ...
+2024-12-09 10:29:42,250 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:42,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,251 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,252 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,252 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:42,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:42,252 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:42,268 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,268 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,268 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:42,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:42,268 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,268 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:42,269 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:42,269 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:42,269 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,269 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:42,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,270 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,270 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,270 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:42,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:42,271 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:42,288 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,288 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,288 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:42,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:42,288 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,289 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:42,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,290 - INFO - number of orbitals:  94
+2024-12-09 10:29:42,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,290 - INFO - moving on ...
+2024-12-09 10:29:42,290 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:42,291 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:42,291 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:42,291 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,291 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:42,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,292 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,292 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:42,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:42,292 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:42,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,309 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,309 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:42,309 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:42,309 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:42,309 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,309 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:42,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,311 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,311 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:42,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:42,311 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:42,327 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,327 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,328 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:42,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:42,328 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,328 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:42,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,329 - INFO - number of orbitals:  79
+2024-12-09 10:29:42,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,329 - INFO - moving on ...
+2024-12-09 10:29:42,329 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:42,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,331 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,331 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:42,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:42,331 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:42,347 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,347 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,347 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:42,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:42,347 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,348 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:42,348 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:42,348 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:42,348 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,348 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:42,348 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,348 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,348 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,350 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,350 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,350 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:42,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:42,350 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:42,366 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,367 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,367 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:42,367 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,367 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,367 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,369 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,369 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:42,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:42,369 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:42,385 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,385 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,385 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:42,385 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,385 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,385 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,387 - INFO - number of orbitals:  90
+2024-12-09 10:29:42,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,388 - INFO - moving on ...
+2024-12-09 10:29:42,388 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:42,388 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,388 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,388 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,390 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,390 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:42,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:42,390 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:42,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,407 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,407 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:42,407 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,407 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,407 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,409 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,409 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:42,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:42,409 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:42,424 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,424 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,424 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:42,424 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,425 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,425 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,426 - INFO - number of orbitals:  90
+2024-12-09 10:29:42,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,426 - INFO - moving on ...
+2024-12-09 10:29:42,426 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:42,427 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:42,427 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:42,427 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,427 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:42,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,428 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,428 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:42,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:42,428 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:42,446 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,447 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,447 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:42,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:42,447 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,447 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:42,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,449 - INFO - number of orbitals:  115
+2024-12-09 10:29:42,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,449 - INFO - moving on ...
+2024-12-09 10:29:42,449 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:42,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,451 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,451 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,451 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:42,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:42,451 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:42,468 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,468 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,469 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:42,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:42,469 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,469 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:42,469 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:42,469 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:42,469 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,469 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:42,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,470 - INFO - number of orbitals:  76
+2024-12-09 10:29:42,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,471 - INFO - moving on ...
+2024-12-09 10:29:42,471 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:42,471 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:42,471 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:42,471 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,471 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:42,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,472 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,472 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,472 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:42,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:42,472 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:42,489 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,490 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,490 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:42,490 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:42,490 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:42,490 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,490 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:42,490 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,490 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,490 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,492 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,492 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,493 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:42,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:42,493 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:42,511 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,511 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,511 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:42,511 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,511 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,511 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,513 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,513 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,513 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:42,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:42,513 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:42,530 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,530 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,530 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:42,530 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,530 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,530 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,532 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,532 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,532 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:42,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:42,533 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:42,549 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,549 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,550 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:42,550 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,550 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,550 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,552 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,552 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,552 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:42,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:42,552 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:42,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,569 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,569 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:42,569 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,569 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,569 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,571 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,571 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,571 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:42,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:42,571 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:42,587 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,587 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,587 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:42,588 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,588 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,588 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,590 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,590 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:42,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:42,590 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:42,606 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,606 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,606 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:42,607 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:42,607 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:42,607 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,607 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:42,607 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,607 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,607 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,609 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,609 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:42,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:42,609 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:42,624 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,625 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,625 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:42,625 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,625 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,625 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,627 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,627 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,627 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:42,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:42,627 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:42,643 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,644 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,644 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:42,644 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,644 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,644 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,646 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,646 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,646 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:42,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:42,646 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:42,661 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,662 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,662 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:42,662 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:42,662 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:42,662 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,662 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:42,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,663 - INFO - number of orbitals:  76
+2024-12-09 10:29:42,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,664 - INFO - moving on ...
+2024-12-09 10:29:42,664 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:42,664 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:42,664 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:42,664 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,664 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:42,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,664 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,664 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,666 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,666 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:42,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:42,666 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:42,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,682 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,682 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:42,682 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,682 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,684 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,684 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,685 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:42,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:42,685 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:42,700 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,701 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,701 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:42,701 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,701 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,701 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,703 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,703 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,703 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:42,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:42,703 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:42,719 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,719 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,719 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:42,719 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,719 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,719 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,721 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,721 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,721 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:42,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:42,721 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:42,738 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,738 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,738 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:42,738 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,739 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,739 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,740 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,741 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,741 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:42,741 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:42,741 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:42,757 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,757 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,758 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:42,758 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,758 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,758 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,760 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,760 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,760 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:42,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:42,760 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:42,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,777 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,777 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:42,777 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,777 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,777 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,779 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,779 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,779 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:42,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:42,779 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:42,798 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,799 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,799 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:42,799 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,799 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,799 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,801 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,801 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,801 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:42,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:42,802 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:42,825 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,825 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,825 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:42,826 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,828 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,828 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,828 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:42,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:42,829 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:42,845 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,845 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,845 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:42,846 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,846 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,846 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,847 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,848 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,848 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:42,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:42,848 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:42,864 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,864 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,864 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:42,864 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,864 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,864 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,866 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,866 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,866 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:42,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:42,866 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:42,882 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,883 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,883 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:42,883 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,883 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,883 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,885 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,885 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,885 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:42,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:42,885 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:42,901 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,902 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,902 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:42,902 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,902 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,902 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,904 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,904 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,904 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:42,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:42,904 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:42,920 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,920 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,920 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:42,920 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,921 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,921 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,922 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,923 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,923 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:42,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:42,923 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:42,938 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,939 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,939 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:42,939 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,939 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,939 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,941 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,941 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,941 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:42,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:42,941 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:42,956 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,956 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,956 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:42,956 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,956 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,956 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,958 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,958 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,958 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:42,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:42,958 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:42,973 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,974 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,974 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:42,974 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:42,974 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:42,974 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,974 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:42,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,975 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,976 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,976 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:42,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:42,976 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:42,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,991 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,991 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:42,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:42,991 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,991 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:42,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,993 - INFO - number of orbitals:  90
+2024-12-09 10:29:42,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,993 - INFO - moving on ...
+2024-12-09 10:29:42,993 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:42,993 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:42,993 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:42,993 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,993 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:42,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,994 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,994 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:42,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:42,995 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:43,010 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,010 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,010 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:43,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:43,010 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,010 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:43,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,012 - INFO - number of orbitals:  118
+2024-12-09 10:29:43,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,012 - INFO - moving on ...
+2024-12-09 10:29:43,012 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:43,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,013 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,013 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:43,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:43,013 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:43,028 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,028 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,028 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:43,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:43,029 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,029 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:43,029 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:43,029 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:43,029 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,029 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:43,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,030 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,030 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,030 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:43,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:43,030 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:43,045 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,045 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,045 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:43,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:43,046 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,046 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:43,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,047 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,047 - INFO - moving on ...
+2024-12-09 10:29:43,047 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:43,047 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:43,047 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:43,047 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,047 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:43,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,048 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,049 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,049 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:43,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:43,049 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,065 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,065 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,065 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:43,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:43,065 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,065 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:43,066 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:43,066 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:43,066 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,066 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:43,066 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,066 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,066 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,068 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,068 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:43,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:43,068 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:43,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,084 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,084 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:43,084 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,084 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,084 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,086 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,086 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:43,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:43,086 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:43,102 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,102 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,102 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:43,102 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,102 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,102 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,104 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,104 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:43,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:43,104 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,120 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,121 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,121 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:43,121 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,121 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,121 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,123 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,123 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:43,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:43,123 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,139 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,139 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:43,139 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,139 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,139 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,141 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,141 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:43,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:43,141 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:43,157 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,157 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,157 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:43,157 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,158 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,158 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,160 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,160 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:43,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:43,160 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:43,176 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,176 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,176 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:43,177 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,177 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,177 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,179 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,179 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,179 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:43,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:43,179 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:43,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,195 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,195 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:43,195 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,196 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,196 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,197 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,197 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,198 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:43,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:43,198 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:43,213 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,214 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,214 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:43,214 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,214 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,214 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,216 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,216 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:43,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:43,216 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:43,231 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,232 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,232 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:43,232 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,232 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,232 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,234 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,234 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,234 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:43,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:43,234 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:43,250 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,251 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,251 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:43,251 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,251 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,251 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,253 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,253 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,253 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:43,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:43,253 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,269 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,270 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,270 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:43,270 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,270 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,270 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,272 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,272 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:43,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:43,272 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:43,288 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,289 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,289 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:43,289 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:43,289 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:43,289 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,289 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:43,289 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,289 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,289 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,291 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,292 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,292 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:43,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:43,292 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:43,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,309 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,309 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:43,309 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,309 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,309 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,311 - INFO - number of orbitals:  108
+2024-12-09 10:29:43,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,311 - INFO - moving on ...
+2024-12-09 10:29:43,311 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:43,312 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:43,312 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:43,312 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,312 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:43,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,313 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,313 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,313 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:43,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:43,313 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:43,330 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,331 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,331 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:43,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:43,331 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,331 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:43,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,332 - INFO - number of orbitals:  135
+2024-12-09 10:29:43,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,332 - INFO - moving on ...
+2024-12-09 10:29:43,332 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:43,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,334 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,334 - INFO - moving on ...
+2024-12-09 10:29:43,334 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:43,334 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:43,334 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:43,334 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,334 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:43,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,335 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,335 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,335 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:43,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:43,335 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:43,351 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,352 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,352 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:43,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:43,352 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,352 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:43,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,353 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,353 - INFO - moving on ...
+2024-12-09 10:29:43,353 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:43,354 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:43,354 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:43,354 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,354 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:43,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,355 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,355 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,355 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:43,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:43,355 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:43,370 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,371 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,371 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:43,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:43,371 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,371 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:43,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,372 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,372 - INFO - moving on ...
+2024-12-09 10:29:43,372 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:43,373 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:43,373 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:43,373 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,373 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:43,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,374 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,374 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:43,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:43,374 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:43,389 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,389 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,389 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:43,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:43,389 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,389 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:43,390 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:43,390 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:43,390 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,390 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:43,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,391 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,391 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,391 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:43,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:43,391 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:43,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,407 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,407 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:43,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:43,407 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,407 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:43,407 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:43,407 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:43,407 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,407 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:43,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,409 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,409 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:43,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:43,409 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:43,425 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,425 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,425 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:43,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:43,425 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,426 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:43,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,427 - INFO - number of orbitals:  118
+2024-12-09 10:29:43,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,427 - INFO - moving on ...
+2024-12-09 10:29:43,427 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:43,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,429 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,429 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:43,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:43,429 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:43,445 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,446 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,446 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:43,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:43,446 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,446 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:43,446 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:43,446 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:43,446 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,446 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:43,446 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,447 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,447 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,448 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,449 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,449 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:43,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:43,449 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,465 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,465 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,465 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:43,465 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,465 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,465 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,467 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,467 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,467 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:43,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:43,467 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:43,483 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,483 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,483 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:43,483 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,484 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,484 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,486 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,486 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:43,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:43,486 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:43,501 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,501 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,501 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:43,501 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,501 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,502 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,503 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,503 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,503 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:43,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:43,504 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,520 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,520 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,520 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:43,520 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,520 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,520 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,522 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,522 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,522 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:43,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:43,522 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:43,540 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,540 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,541 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:43,541 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,541 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,541 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,544 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,544 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:43,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:43,544 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:43,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,561 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,562 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:43,562 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,562 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,562 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,564 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,564 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,564 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:43,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:43,564 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:43,580 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,580 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,580 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:43,580 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,580 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,580 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,582 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,582 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:43,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:43,582 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:43,598 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,598 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,598 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:43,598 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:43,598 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:43,599 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,599 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:43,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,600 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,600 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,600 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:43,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:43,600 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:43,615 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,616 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,616 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:43,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:43,616 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,616 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:43,616 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:43,616 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:43,616 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,616 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:43,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,618 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,618 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,618 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:43,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:43,618 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:43,634 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,634 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,634 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:43,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:43,634 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,634 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:43,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,636 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,636 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,636 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:43,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:43,636 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:43,652 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,652 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,653 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:43,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:43,653 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,653 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:43,653 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:43,653 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:43,653 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,653 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:43,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,654 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,655 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,655 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:43,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:43,655 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:43,671 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,671 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,671 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:43,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:43,671 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,671 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:43,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,673 - INFO - number of orbitals:  119
+2024-12-09 10:29:43,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,674 - INFO - moving on ...
+2024-12-09 10:29:43,674 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:43,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,675 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,675 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,675 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:43,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:43,675 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:43,693 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,693 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,693 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:43,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:43,693 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,693 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:43,693 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:43,694 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:43,694 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,694 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:43,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,695 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,695 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,695 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:43,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:43,695 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:43,712 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,713 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,713 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:43,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:43,713 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,713 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:43,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,714 - INFO - number of orbitals:  135
+2024-12-09 10:29:43,714 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,714 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,714 - INFO - moving on ...
+2024-12-09 10:29:43,714 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:43,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,716 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,716 - INFO - moving on ...
+2024-12-09 10:29:43,716 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:43,716 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:43,716 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:43,716 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,716 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:43,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,717 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,717 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,717 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:43,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:43,717 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:43,734 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,734 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,734 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:43,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:43,734 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,734 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:43,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,736 - INFO - number of orbitals:  118
+2024-12-09 10:29:43,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,736 - INFO - moving on ...
+2024-12-09 10:29:43,736 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:43,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,737 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,737 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,737 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:43,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:43,738 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:43,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,755 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,755 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:43,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:43,755 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,755 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:43,755 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:43,755 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:43,755 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,755 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:43,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,757 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,757 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,757 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:43,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:43,757 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:43,773 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,773 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,773 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:43,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:43,773 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,773 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:43,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,775 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,775 - INFO - moving on ...
+2024-12-09 10:29:43,775 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:43,775 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:43,775 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:43,775 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,775 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:43,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,776 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,776 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,776 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:43,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:43,777 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:43,793 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,793 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,793 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:43,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:43,793 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,794 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:43,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,795 - INFO - number of orbitals:  110
+2024-12-09 10:29:43,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,795 - INFO - moving on ...
+2024-12-09 10:29:43,795 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:43,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,796 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,797 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,797 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:43,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:43,797 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:43,812 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,813 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,813 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:43,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:43,813 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,813 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:43,813 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:43,813 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:43,813 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,813 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:43,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,815 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,815 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,815 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:43,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:43,815 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:43,831 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,832 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,832 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:43,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:43,832 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,832 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:43,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,834 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,834 - INFO - moving on ...
+2024-12-09 10:29:43,834 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:43,834 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:43,834 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:43,834 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,834 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:43,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,835 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,835 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:43,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:43,835 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:43,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,852 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,852 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:43,853 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:43,853 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:43,853 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,853 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:43,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,854 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,854 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,854 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:43,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:43,855 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:43,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,871 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,871 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:43,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:43,871 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,871 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:43,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,873 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,873 - INFO - moving on ...
+2024-12-09 10:29:43,873 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:43,873 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:43,873 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:43,873 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,873 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:43,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,874 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:43,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:43,875 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:43,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,890 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,891 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:43,891 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:43,891 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:43,891 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,891 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:43,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,891 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,891 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,893 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,893 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:43,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:43,893 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:43,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,910 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,910 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:43,910 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,910 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,910 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,912 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,912 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,912 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:43,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:43,913 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:43,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,929 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,929 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:43,929 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,929 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,929 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,931 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,931 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,931 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:43,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:43,931 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:43,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,947 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,947 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:43,947 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,947 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,948 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,949 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,949 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:43,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:43,950 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:43,966 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,966 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,966 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:43,966 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:43,966 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:43,966 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,966 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:43,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,968 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,968 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,968 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:43,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:43,969 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:43,985 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,985 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,985 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:43,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:43,986 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,986 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:43,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,987 - INFO - number of orbitals:  85
+2024-12-09 10:29:43,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,987 - INFO - moving on ...
+2024-12-09 10:29:43,987 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:43,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,989 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,989 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:43,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:43,989 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:44,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,005 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,005 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:44,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:44,005 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,005 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:44,006 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:44,006 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:44,006 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,006 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:44,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,007 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,007 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,007 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:44,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:44,007 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:44,023 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,024 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,024 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:44,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:44,024 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,024 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:44,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,025 - INFO - number of orbitals:  110
+2024-12-09 10:29:44,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,026 - INFO - moving on ...
+2024-12-09 10:29:44,026 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:44,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,027 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,027 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:44,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:44,027 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:44,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,043 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,043 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:44,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:44,043 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,044 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:44,044 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:44,044 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:44,044 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,044 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:44,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,045 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,045 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:44,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:44,045 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:44,061 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,062 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,062 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:44,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:44,062 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,062 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:44,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,064 - INFO - number of orbitals:  85
+2024-12-09 10:29:44,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,064 - INFO - moving on ...
+2024-12-09 10:29:44,064 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:44,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,065 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,065 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,065 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:44,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:44,065 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:44,081 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,081 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,082 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:44,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:44,082 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,082 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:44,082 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:44,082 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:44,082 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,082 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:44,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,083 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,083 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,083 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:44,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:44,084 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:44,100 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,100 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,100 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:44,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:44,100 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,100 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:44,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,102 - INFO - number of orbitals:  88
+2024-12-09 10:29:44,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,102 - INFO - moving on ...
+2024-12-09 10:29:44,102 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:44,102 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:44,102 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:44,102 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,102 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:44,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,103 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,103 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,103 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:44,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:44,103 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:44,119 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,120 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,120 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:44,120 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:44,120 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:44,120 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,120 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:44,120 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,121 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,121 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,123 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,123 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:44,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:44,123 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:44,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,140 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,140 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:44,140 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,140 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,140 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,142 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,142 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,142 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:44,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:44,142 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:44,158 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,158 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,158 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:44,158 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,158 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,158 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,160 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,160 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,160 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:44,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:44,160 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:44,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,177 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,177 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:44,177 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,177 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,177 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,179 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,179 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,179 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:44,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:44,179 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:44,196 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,196 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,197 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:44,197 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,197 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,197 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,199 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,199 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,199 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:44,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:44,199 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:44,216 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,216 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,216 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:44,216 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,216 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,216 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,218 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,218 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:44,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:44,218 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:44,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,235 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,235 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:44,236 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,236 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,236 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,238 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,238 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,238 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:44,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:44,238 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:44,254 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,255 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,255 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:44,255 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,255 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,255 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,257 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,257 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,257 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:44,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:44,257 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:44,274 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,274 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,274 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:44,274 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,274 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,274 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,276 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,276 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,276 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:44,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:44,276 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:44,293 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,294 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,294 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:44,294 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:44,294 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:44,294 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,294 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:44,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,296 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,296 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:44,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:44,296 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:44,312 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,312 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,313 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:44,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:44,313 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,313 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:44,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,314 - INFO - number of orbitals:  88
+2024-12-09 10:29:44,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,314 - INFO - moving on ...
+2024-12-09 10:29:44,314 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:44,315 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:44,315 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:44,315 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,315 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:44,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,316 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,316 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:44,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:44,316 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:44,332 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,332 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,333 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:44,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:44,333 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,333 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:44,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,334 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,334 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,334 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:44,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:44,334 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:44,351 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,351 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,351 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:44,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:44,352 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,352 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:44,352 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:44,352 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:44,352 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,352 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:44,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,353 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,353 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,353 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:44,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:44,353 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:44,371 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,371 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,371 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:44,371 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:44,371 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:44,371 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,371 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:44,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,373 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,373 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,373 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:44,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:44,373 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:44,390 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,390 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,391 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:44,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:44,391 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,391 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:44,391 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:44,391 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:44,391 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,391 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:44,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,393 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,393 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,393 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:44,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:44,393 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:44,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,410 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,410 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:44,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:44,410 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,410 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:44,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,412 - INFO - number of orbitals:  116
+2024-12-09 10:29:44,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,412 - INFO - moving on ...
+2024-12-09 10:29:44,412 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:44,412 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:44,412 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:44,412 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,412 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:44,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,414 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,414 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,414 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:44,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:44,414 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:44,431 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,431 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,431 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:44,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:44,432 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,432 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:44,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,433 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,433 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:44,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:44,434 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:44,450 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,451 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,451 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:44,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:44,451 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,451 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:44,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,453 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,453 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:44,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:44,453 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:44,469 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,469 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,470 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:44,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:44,470 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,470 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:44,470 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:44,470 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:44,470 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,470 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:44,470 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,470 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,470 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,472 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,472 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,472 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:44,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:44,472 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:44,489 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,489 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,489 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:44,489 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,489 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,489 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,491 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,491 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,491 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:44,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:44,491 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:44,508 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,508 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,508 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:44,508 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,508 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,508 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,510 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,510 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,510 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:44,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:44,510 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:44,526 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,527 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,527 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:44,527 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,527 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,527 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,529 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,529 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,529 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:44,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:44,529 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:29:44,545 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,545 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,545 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:44,546 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,546 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,546 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,548 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,548 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,548 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:44,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:44,548 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:44,564 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,564 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,565 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:44,565 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,565 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,565 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,567 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,567 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,567 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:44,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:44,567 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:44,583 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,584 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,584 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:44,584 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,584 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,584 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,586 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,586 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,586 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:44,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:44,586 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:44,602 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,602 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,602 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:44,602 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,605 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,605 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,605 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:29:44,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:29:44,605 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:29:44,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,621 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,622 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:44,622 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,622 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,622 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,624 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,624 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,624 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:44,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:44,624 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:44,639 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,640 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,640 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:44,640 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,640 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,640 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,642 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,642 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,642 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:44,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:44,642 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:44,657 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,657 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,657 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:44,657 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,658 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,658 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,659 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,659 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,659 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:44,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:44,660 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:44,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,676 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,676 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:44,676 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,678 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,678 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,678 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:29:44,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:29:44,678 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:29:44,694 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,695 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,695 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:44,695 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:44,695 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:44,695 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,695 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:44,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,696 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,696 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,697 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:44,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:44,697 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:44,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,713 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,713 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:44,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:44,714 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,714 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:44,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,715 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,715 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:44,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:44,716 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:44,732 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,732 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,732 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:44,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:44,732 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,732 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:44,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,734 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,734 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,734 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:44,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:44,734 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:44,750 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,751 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,751 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:44,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:44,751 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,751 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:44,751 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:44,751 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:44,751 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,751 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:44,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,753 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,753 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:44,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:44,753 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:44,770 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,771 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,771 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:44,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:44,771 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,771 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:44,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,772 - INFO - number of orbitals:  110
+2024-12-09 10:29:44,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,772 - INFO - moving on ...
+2024-12-09 10:29:44,772 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:44,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,774 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,774 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,774 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:44,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:44,774 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:44,790 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,791 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,791 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:44,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:44,791 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,791 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:44,791 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:44,792 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:44,792 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,792 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:44,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,793 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,793 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,793 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:44,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:44,794 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:44,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,811 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,811 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:44,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:44,811 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,811 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:44,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,813 - INFO - number of orbitals:  110
+2024-12-09 10:29:44,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,813 - INFO - moving on ...
+2024-12-09 10:29:44,813 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:44,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,814 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,814 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,814 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:44,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:44,814 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:44,831 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,832 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,832 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:44,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:44,832 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,832 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:44,832 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:44,832 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:44,832 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,832 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:44,832 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,832 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,833 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,835 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,835 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:44,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:44,835 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:44,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,852 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,852 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:44,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,855 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,855 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:44,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:44,855 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:44,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,872 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,872 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:44,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,875 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,875 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:44,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:44,875 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:44,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,892 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,892 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:44,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,894 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,894 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:44,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:44,894 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:44,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,911 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,911 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:44,911 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,911 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,911 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,913 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,913 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:44,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:44,913 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:44,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,930 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,930 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:44,930 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,930 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,930 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,932 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,932 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:44,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:44,932 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:44,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,949 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,949 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:44,949 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,949 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,949 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,951 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,951 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,951 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:44,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:44,952 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:44,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,968 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,968 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:44,968 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,968 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,968 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,970 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,970 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,971 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:44,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:44,971 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:44,986 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,987 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,987 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:44,987 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,987 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,987 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,989 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,989 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:44,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:44,989 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:45,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,006 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,006 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:45,006 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:45,006 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:45,006 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,006 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:45,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,008 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,008 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,008 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:45,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:45,008 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:45,024 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,024 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,024 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:45,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:45,025 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,025 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:45,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,026 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,026 - INFO - moving on ...
+2024-12-09 10:29:45,027 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:45,027 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:45,027 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:45,027 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,027 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:45,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,028 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,028 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,028 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:29:45,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:29:45,028 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:29:45,044 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,045 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,045 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:29:45,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:29:45,045 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,045 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:45,045 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:45,045 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:45,045 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,045 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:45,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,047 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,047 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,047 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:45,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:45,047 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:45,062 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,063 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,063 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:45,063 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:45,063 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:45,063 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,063 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:45,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,065 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,065 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:45,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:45,065 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:45,082 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,082 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,082 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:45,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:45,082 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,082 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:45,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,084 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,084 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,084 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:45,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:45,084 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:45,100 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,100 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,101 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:45,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:45,101 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,101 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:45,101 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:45,101 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:45,101 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,101 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:45,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,102 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,102 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,102 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:45,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:45,103 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:45,118 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,118 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,118 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:45,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:45,118 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,118 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:45,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,120 - INFO - number of orbitals:  90
+2024-12-09 10:29:45,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,120 - INFO - moving on ...
+2024-12-09 10:29:45,120 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:45,120 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:45,120 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:45,120 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,120 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:45,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,122 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,122 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,122 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:45,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:45,122 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:45,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,139 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,139 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:45,139 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:45,139 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:45,139 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,140 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:45,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,141 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,141 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:45,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:45,141 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:45,158 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,158 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,158 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:45,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:45,158 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,158 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:45,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,160 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,160 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,160 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,160 - INFO - moving on ...
+2024-12-09 10:29:45,160 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:45,160 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:45,160 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:45,160 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,160 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:45,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,161 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,161 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:45,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:45,161 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:45,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,177 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,177 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:45,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:45,177 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,177 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:45,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,179 - INFO - number of orbitals:  106
+2024-12-09 10:29:45,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,179 - INFO - moving on ...
+2024-12-09 10:29:45,179 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:45,179 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:45,179 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:45,179 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,179 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:45,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,180 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,180 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,180 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:45,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:45,180 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:45,197 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,197 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,197 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:45,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:45,198 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,198 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:45,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,199 - INFO - number of orbitals:  118
+2024-12-09 10:29:45,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,199 - INFO - moving on ...
+2024-12-09 10:29:45,199 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:45,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,201 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,201 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,201 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:45,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:45,201 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:45,216 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,216 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,217 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:45,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:45,217 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,217 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:45,217 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:45,217 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:45,217 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,217 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:45,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,218 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,219 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:45,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:45,219 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:45,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,235 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,235 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:45,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:45,236 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,236 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:45,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,237 - INFO - number of orbitals:  114
+2024-12-09 10:29:45,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,237 - INFO - moving on ...
+2024-12-09 10:29:45,237 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:45,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,238 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,239 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,239 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:45,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:45,239 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:45,255 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,255 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,255 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:45,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:45,256 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,256 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:45,256 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:45,256 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:45,256 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,256 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:45,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,257 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,258 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,258 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:45,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:45,258 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:45,275 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,275 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,275 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:45,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:45,275 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,275 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:45,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,277 - INFO - number of orbitals:  115
+2024-12-09 10:29:45,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,277 - INFO - moving on ...
+2024-12-09 10:29:45,277 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:45,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,278 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,278 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:45,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:45,278 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:45,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,295 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,295 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:45,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:45,296 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,296 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:45,296 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:45,296 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:45,296 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,296 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:45,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,298 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,298 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:45,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:45,298 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:45,314 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,315 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,315 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:45,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:45,315 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,315 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:45,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,317 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,317 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:29:45,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:29:45,317 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:29:45,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,334 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,334 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:29:45,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:29:45,334 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,334 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:45,334 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:45,334 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:45,334 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,334 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:45,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,336 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,336 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:45,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:45,336 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:45,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,354 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,354 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:45,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:45,354 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,354 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:45,354 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:45,354 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:45,354 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,354 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:45,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,356 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,356 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:45,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:45,356 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:45,372 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,372 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,372 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:45,372 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:45,372 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:45,372 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,372 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:45,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,374 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,374 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:45,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:45,374 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:45,390 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,391 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,391 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:45,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:45,391 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,391 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:45,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,393 - INFO - number of orbitals:  86
+2024-12-09 10:29:45,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,393 - INFO - moving on ...
+2024-12-09 10:29:45,393 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:45,393 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:45,393 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:45,393 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,393 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:45,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,394 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,395 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:45,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:45,395 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:45,411 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,411 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,412 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:45,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:45,412 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,412 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:45,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,413 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,413 - INFO - moving on ...
+2024-12-09 10:29:45,413 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:45,414 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:45,414 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:45,414 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,414 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:45,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,415 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,415 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,415 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:45,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:45,415 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:45,431 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,432 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,432 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:45,432 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:45,432 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:45,432 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,432 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:45,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,434 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,434 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,434 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:45,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:45,434 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:45,450 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,451 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,451 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:45,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:45,451 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,451 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:45,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,452 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,453 - INFO - moving on ...
+2024-12-09 10:29:45,453 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:45,453 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:45,453 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:45,453 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,453 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:45,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,454 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,454 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,454 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:29:45,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:29:45,454 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:29:45,471 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,471 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,471 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:29:45,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:29:45,472 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,472 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:45,472 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:45,472 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:45,472 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,472 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:45,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,473 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,473 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,473 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:45,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:45,474 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:45,490 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,491 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,491 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:45,491 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:45,491 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:45,491 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,491 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:45,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,493 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,493 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,493 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:45,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:45,493 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:45,510 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,510 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,510 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:45,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:45,510 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,510 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:45,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,512 - INFO - number of orbitals:  116
+2024-12-09 10:29:45,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,512 - INFO - moving on ...
+2024-12-09 10:29:45,512 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:45,512 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:45,512 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:45,512 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,512 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:45,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,514 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,514 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,514 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:45,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:45,514 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:45,531 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,531 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,531 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:45,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:45,531 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,531 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:45,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,533 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,533 - INFO - moving on ...
+2024-12-09 10:29:45,533 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:45,533 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:45,533 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:45,533 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,533 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:45,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,535 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,535 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:45,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:45,535 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:45,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,552 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,552 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:45,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:45,552 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,552 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:45,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,553 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,553 - INFO - moving on ...
+2024-12-09 10:29:45,553 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:45,554 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:45,554 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:45,554 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,554 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:45,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,555 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,555 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,555 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:45,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:45,555 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:45,572 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,572 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,572 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:45,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:45,572 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,572 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:45,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,574 - INFO - number of orbitals:  110
+2024-12-09 10:29:45,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,574 - INFO - moving on ...
+2024-12-09 10:29:45,574 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:45,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,575 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,576 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,576 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:45,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:45,576 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:45,592 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,592 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,592 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:45,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:45,593 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,593 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:45,593 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:45,593 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:45,593 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,593 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:45,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,594 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,594 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,595 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:45,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:45,595 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:45,611 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,612 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,612 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:45,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:45,612 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,612 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:45,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,613 - INFO - number of orbitals:  135
+2024-12-09 10:29:45,613 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,613 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,613 - INFO - moving on ...
+2024-12-09 10:29:45,613 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:45,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,615 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,615 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,615 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,615 - INFO - moving on ...
+2024-12-09 10:29:45,615 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:45,615 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:45,615 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:45,615 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,615 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:45,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,616 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,617 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,617 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:45,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:45,617 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:45,634 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,634 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,634 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:45,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:45,634 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,634 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:45,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,636 - INFO - number of orbitals:  119
+2024-12-09 10:29:45,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,636 - INFO - moving on ...
+2024-12-09 10:29:45,636 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:45,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,637 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,637 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,637 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:45,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:45,638 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:45,654 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,655 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,655 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:45,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:45,655 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,655 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:45,655 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:45,655 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:45,655 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,655 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:45,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,657 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,657 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,657 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:45,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:45,657 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:45,674 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,674 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,674 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:45,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:45,674 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,674 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:45,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,676 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,676 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,676 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:45,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:45,676 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:45,693 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,694 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,694 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:45,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:45,694 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,694 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:45,694 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:45,694 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:45,694 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,694 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:45,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,696 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,696 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,696 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:45,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:45,696 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:45,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,713 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,713 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:45,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:45,714 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,714 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:45,714 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:45,714 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:45,714 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,714 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:45,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,715 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,715 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:45,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:45,716 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:45,734 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,734 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,734 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:45,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:45,734 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,734 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:45,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,736 - INFO - number of orbitals:  89
+2024-12-09 10:29:45,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,736 - INFO - moving on ...
+2024-12-09 10:29:45,736 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:45,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,737 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,737 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,737 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:45,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:45,737 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:45,753 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,754 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,754 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:45,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:45,754 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,754 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:45,754 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:45,754 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:45,754 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,754 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:45,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,756 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,756 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:45,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:45,756 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:45,772 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,773 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,773 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:45,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:45,773 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,773 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:45,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,774 - INFO - number of orbitals:  94
+2024-12-09 10:29:45,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,775 - INFO - moving on ...
+2024-12-09 10:29:45,775 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:45,775 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:45,775 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:45,775 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,775 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:45,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,776 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,776 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,776 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:45,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:45,776 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:45,793 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,793 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,793 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:45,794 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:45,794 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:45,794 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,794 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:45,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,795 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,795 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,795 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:45,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:45,796 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:45,812 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,812 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,812 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:45,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:45,812 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,812 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:45,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,814 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,814 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,814 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:29:45,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:29:45,814 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:29:45,830 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,831 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,831 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:29:45,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:29:45,831 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,831 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:45,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,832 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,832 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,832 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:45,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:45,833 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:45,849 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,850 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,850 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:45,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:45,850 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,850 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:45,850 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:45,850 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:45,850 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,850 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:45,850 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,850 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,850 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,852 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,852 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,853 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:45,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:45,853 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:45,869 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,870 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,870 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:45,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,870 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,872 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,872 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:45,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:45,872 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:45,889 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,889 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,889 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:45,889 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,889 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,889 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,891 - INFO - number of orbitals:  90
+2024-12-09 10:29:45,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,891 - INFO - moving on ...
+2024-12-09 10:29:45,891 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:45,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,893 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,894 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:45,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:45,894 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:45,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,910 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,910 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:45,910 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,910 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,910 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,912 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,912 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,912 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:45,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:45,912 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:45,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,928 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,928 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:45,928 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,928 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,928 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,930 - INFO - number of orbitals:  90
+2024-12-09 10:29:45,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,931 - INFO - moving on ...
+2024-12-09 10:29:45,931 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:45,931 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:45,931 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:45,931 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,931 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:45,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,932 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,932 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:45,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:45,932 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:45,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,949 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,949 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:45,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:45,949 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,949 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:45,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,951 - INFO - number of orbitals:  115
+2024-12-09 10:29:45,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,951 - INFO - moving on ...
+2024-12-09 10:29:45,951 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:45,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,952 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,952 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:45,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:45,952 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:45,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,968 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,968 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:45,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:45,968 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,968 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:45,969 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:45,969 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:45,969 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,969 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:45,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,970 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,970 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,970 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:29:45,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:29:45,970 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:29:45,987 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,987 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,987 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:29:45,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:29:45,987 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,987 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:45,987 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:45,987 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:45,987 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,987 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:45,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,989 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,989 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:45,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:45,989 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:46,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,006 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,006 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:46,006 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:46,006 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:46,006 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,006 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:46,006 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,007 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,007 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,008 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,009 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,009 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:46,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:46,009 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:46,025 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,025 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,025 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:46,025 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,025 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,025 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,027 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,027 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:46,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:46,027 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:46,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,043 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,043 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:46,043 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,044 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,044 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,046 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,046 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,046 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:46,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:46,046 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,062 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,062 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,062 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:46,062 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,063 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,063 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,065 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,065 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:46,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:46,065 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:46,080 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,081 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,081 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:46,081 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,081 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,081 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,083 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,083 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,083 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:46,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:46,083 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:46,100 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,100 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,100 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:46,101 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,101 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,101 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,103 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,103 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,103 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:46,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:46,103 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,119 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,119 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,120 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:46,120 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:46,120 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:46,120 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,120 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:46,120 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,120 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,120 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,122 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,123 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,123 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:46,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:46,123 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,143 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,144 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,144 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:46,144 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,144 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,144 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,146 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,146 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,146 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:46,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:46,146 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:46,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,163 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,163 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:46,163 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,163 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,163 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,165 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,165 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:46,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:46,165 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:46,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,182 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,182 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:46,182 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:46,182 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:46,182 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,183 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:46,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,184 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,184 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,184 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:29:46,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:29:46,184 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:29:46,200 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,200 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,201 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:29:46,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:29:46,201 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,201 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:46,201 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:46,201 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:46,201 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,201 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:46,201 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,202 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,202 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,204 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,204 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:46,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:46,204 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:46,220 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,220 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,220 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:46,220 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,220 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,220 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,222 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,222 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,222 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:46,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:46,222 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:46,238 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,238 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,238 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:46,238 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,238 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,238 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,240 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,240 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:46,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:46,241 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:46,257 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,257 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,257 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:46,257 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,258 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,258 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,260 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,260 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,260 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:46,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:46,260 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,276 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,276 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,276 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:46,276 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,277 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,277 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,279 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,279 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:46,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:46,279 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:46,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,295 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,295 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:46,295 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,296 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,296 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,297 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,297 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,297 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:46,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:46,298 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:46,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,314 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,314 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:46,314 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,314 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,314 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,316 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,316 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:46,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:46,316 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:46,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,333 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,333 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:46,333 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,333 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,333 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,335 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,335 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,335 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:46,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:46,335 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:46,352 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,352 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,352 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:46,352 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,353 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,353 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,354 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,354 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,354 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:46,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:46,355 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:46,371 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,371 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,371 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:46,371 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,371 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,371 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,373 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,373 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,373 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:46,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:46,373 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:46,390 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,390 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,390 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:46,391 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,391 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,391 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,393 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,393 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,393 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:46,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:46,393 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:46,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,410 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,410 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:46,410 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,410 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,410 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,412 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,412 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,412 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:46,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:46,412 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,429 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,429 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,429 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:46,429 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,429 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,429 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,431 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,431 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,431 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:46,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:46,431 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:46,448 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,448 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,449 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:46,449 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,449 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,449 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,451 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,451 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,451 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:46,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:46,451 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:46,467 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,468 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,468 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:46,468 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,468 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,468 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,470 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,470 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,470 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:46,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:46,470 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:46,486 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,487 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,487 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:46,487 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,487 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,487 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,489 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,489 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,489 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:46,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:46,489 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:46,505 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,505 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,505 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:46,506 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:46,506 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:46,506 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,506 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:46,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,507 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,507 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:46,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:46,507 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:46,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,523 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,524 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:46,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:46,524 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,524 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:46,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,525 - INFO - number of orbitals:  90
+2024-12-09 10:29:46,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:46,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,525 - INFO - moving on ...
+2024-12-09 10:29:46,525 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:46,525 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:46,526 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:46,526 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,526 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:46,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,527 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,527 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,527 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:46,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:46,527 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:46,543 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,543 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,544 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:46,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:46,544 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,544 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:46,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,545 - INFO - number of orbitals:  118
+2024-12-09 10:29:46,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,545 - INFO - moving on ...
+2024-12-09 10:29:46,545 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:46,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,547 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,547 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,547 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:46,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:46,547 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,563 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,563 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,563 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:46,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:46,563 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,563 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:46,563 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:46,563 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:46,563 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,564 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:46,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,565 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,565 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:46,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:46,565 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:46,582 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,582 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,582 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:46,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:46,582 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,582 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:46,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,584 - INFO - number of orbitals:  88
+2024-12-09 10:29:46,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,584 - INFO - moving on ...
+2024-12-09 10:29:46,584 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:46,584 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:46,584 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:46,584 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,584 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:46,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,585 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,585 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,585 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:46,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:46,586 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,601 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,602 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,602 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:46,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:46,602 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,602 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:46,602 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:46,602 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:46,602 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,602 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:46,602 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,604 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,605 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:46,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:46,605 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:46,620 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,621 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,621 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:46,621 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,621 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,621 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,623 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,623 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,623 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:46,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:46,623 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:46,639 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,640 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,640 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:46,640 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,640 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,640 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,642 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,642 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,642 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:46,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:46,642 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,658 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,658 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,658 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:46,659 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,659 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,659 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,661 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,661 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,661 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:46,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:46,661 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,676 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,677 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,677 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:46,677 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,677 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,677 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,679 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,679 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,679 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:46,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:46,679 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:46,695 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,696 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,696 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:46,696 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,696 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,696 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,698 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,698 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,698 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:46,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:46,698 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:46,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,715 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,715 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:46,715 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,715 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,715 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,717 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,717 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,717 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:46,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:46,717 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:46,733 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,733 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,733 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:46,733 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,733 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,733 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,735 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,735 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,735 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:46,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:46,735 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:46,751 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,752 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,752 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:46,752 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,752 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,752 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,754 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,754 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,754 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:46,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:46,754 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:46,770 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,771 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,771 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:46,771 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,771 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,771 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,773 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,773 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,773 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:46,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:46,773 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:46,789 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,789 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,789 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:46,789 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,790 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,790 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,791 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,792 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,792 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:46,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:46,792 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,808 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,808 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,808 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:46,808 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,808 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,808 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,810 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,810 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,810 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:46,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:46,810 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:46,826 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,827 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,827 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:46,827 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:46,827 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:46,827 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,827 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:46,827 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,827 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,827 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,829 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,830 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,830 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:46,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:46,830 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:46,846 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,846 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,846 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:46,846 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,846 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,846 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,848 - INFO - number of orbitals:  108
+2024-12-09 10:29:46,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,848 - INFO - moving on ...
+2024-12-09 10:29:46,848 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:46,848 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:46,848 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:46,848 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,848 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:46,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,850 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,850 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,850 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:46,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:46,850 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:46,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,866 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,866 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:46,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:46,867 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,867 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:46,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,868 - INFO - number of orbitals:  135
+2024-12-09 10:29:46,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,868 - INFO - moving on ...
+2024-12-09 10:29:46,868 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:46,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,869 - INFO - number of orbitals:  88
+2024-12-09 10:29:46,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,869 - INFO - moving on ...
+2024-12-09 10:29:46,869 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:46,869 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:46,870 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:46,870 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,870 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:46,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,871 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,871 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,871 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:46,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:46,871 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:46,887 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,887 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,887 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:46,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:46,887 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,887 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:46,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,889 - INFO - number of orbitals:  88
+2024-12-09 10:29:46,889 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,889 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,889 - INFO - moving on ...
+2024-12-09 10:29:46,889 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:46,889 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:46,889 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:46,889 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,889 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:46,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,890 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,890 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:46,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:46,891 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,907 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,907 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,907 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:46,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:46,908 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,908 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:46,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,909 - INFO - number of orbitals:  88
+2024-12-09 10:29:46,909 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,909 - INFO - moving on ...
+2024-12-09 10:29:46,909 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:46,909 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:46,909 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:46,909 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,909 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:46,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,911 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,911 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:46,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:46,911 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:46,926 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,927 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,927 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:46,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:46,927 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,927 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:46,927 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:46,927 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:46,927 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,927 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:46,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,929 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,929 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,929 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:46,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:46,929 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:46,944 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,945 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,945 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:46,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:46,945 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,945 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:46,945 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:46,945 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:46,945 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,945 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:46,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,947 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,947 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,947 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:46,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:46,947 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:46,963 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,963 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,963 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:46,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:46,963 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,963 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:46,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,965 - INFO - number of orbitals:  118
+2024-12-09 10:29:46,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,965 - INFO - moving on ...
+2024-12-09 10:29:46,965 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:46,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,966 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,966 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,966 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:46,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:46,966 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:46,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,982 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,982 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:46,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:46,982 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,982 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:46,983 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:46,983 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:46,983 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,983 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:46,983 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,983 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,983 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,985 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,985 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,985 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:46,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:46,985 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:47,001 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,002 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,002 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:47,002 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,002 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,002 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,004 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,004 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,004 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:47,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:47,004 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:47,020 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,021 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,021 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:47,021 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,021 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,021 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,023 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,023 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,023 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:47,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:47,023 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:47,039 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,039 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,039 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:47,039 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,039 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,039 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,041 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,041 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,041 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:47,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:47,042 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:47,058 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,058 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,058 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:47,059 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,059 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,059 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,061 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,061 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,061 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:47,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:47,061 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:47,077 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,077 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,077 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:47,077 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,078 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,078 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,079 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,080 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:47,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:47,080 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:47,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,096 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,096 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:47,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,098 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:47,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:47,098 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:47,114 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,114 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,114 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:47,114 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,114 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,114 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,116 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,116 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,116 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:47,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:47,116 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:47,132 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,132 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,132 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:47,132 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:47,132 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:47,132 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,132 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:47,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,134 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,134 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,134 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:47,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:47,134 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:47,150 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,150 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,150 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:47,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:47,150 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,150 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:47,150 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:47,150 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:47,150 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,150 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:47,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,152 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,152 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,152 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:47,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:47,152 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:47,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,169 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,169 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:47,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:47,169 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,169 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:47,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,170 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,171 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:47,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:47,171 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:47,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,187 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,187 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:47,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:47,187 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,187 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:47,187 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:47,187 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:47,187 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,187 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:47,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,189 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,189 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:47,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:47,189 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:47,206 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,206 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,206 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:47,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:47,206 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,206 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:47,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,208 - INFO - number of orbitals:  119
+2024-12-09 10:29:47,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,208 - INFO - moving on ...
+2024-12-09 10:29:47,208 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:47,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,209 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,209 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,209 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:47,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:47,209 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:47,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,225 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,225 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:47,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:47,226 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,226 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:47,226 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:47,226 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:47,226 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,226 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:47,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,227 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,227 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:47,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:47,227 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:47,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,244 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,244 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:47,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:47,244 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,244 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:47,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,245 - INFO - number of orbitals:  135
+2024-12-09 10:29:47,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,246 - INFO - moving on ...
+2024-12-09 10:29:47,246 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:47,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,247 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,247 - INFO - moving on ...
+2024-12-09 10:29:47,247 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:47,247 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:47,247 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:47,247 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,247 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:47,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,248 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,249 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,249 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:47,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:47,249 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:47,266 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,266 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,266 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:47,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:47,266 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,267 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:47,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,268 - INFO - number of orbitals:  118
+2024-12-09 10:29:47,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,268 - INFO - moving on ...
+2024-12-09 10:29:47,268 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:47,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,270 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,270 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,270 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:47,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:47,270 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:47,287 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,287 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,288 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:47,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:47,288 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,288 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:47,288 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:47,288 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:47,288 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,288 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:47,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,290 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,290 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,290 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:47,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:47,290 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:47,306 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,306 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,306 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:47,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:47,307 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,307 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:47,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,308 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,308 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,308 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,308 - INFO - moving on ...
+2024-12-09 10:29:47,308 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:47,308 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:47,308 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:47,308 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,308 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:47,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,310 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,310 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,310 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:47,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:47,310 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:47,327 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,327 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,327 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:47,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:47,327 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,327 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:47,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,329 - INFO - number of orbitals:  110
+2024-12-09 10:29:47,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,329 - INFO - moving on ...
+2024-12-09 10:29:47,329 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:47,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,331 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,331 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:47,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:47,331 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:47,348 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,349 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,349 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:47,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:47,349 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,349 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:47,349 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:47,349 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:47,349 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,349 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:47,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,351 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,351 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,351 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:47,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:47,351 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:47,367 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,368 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,368 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:47,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:47,368 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,368 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:47,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,370 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,370 - INFO - moving on ...
+2024-12-09 10:29:47,370 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:47,370 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:47,370 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:47,370 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,370 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:47,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,371 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,371 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,371 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:47,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:47,371 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:47,388 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,388 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,388 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:47,388 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:47,388 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:47,389 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,389 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:47,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,390 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,390 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:47,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:47,390 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:47,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,407 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,407 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:47,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:47,407 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,407 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:47,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,409 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,409 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,409 - INFO - moving on ...
+2024-12-09 10:29:47,409 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:47,409 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:47,409 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:47,409 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,409 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:47,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,410 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,410 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,410 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:47,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:47,410 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:47,427 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,428 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,428 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:47,428 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:47,428 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:47,428 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,428 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:47,428 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,428 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,428 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,430 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,430 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:47,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:47,430 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:47,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,447 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,447 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:47,447 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,447 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,447 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,449 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,449 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,449 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:47,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:47,449 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:47,466 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,466 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,466 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:47,467 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,467 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,467 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,469 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,469 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:47,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:47,469 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:47,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,486 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,486 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:47,486 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,486 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,486 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,488 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,488 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,488 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:47,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:47,488 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:47,505 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,505 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,505 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:47,505 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:47,505 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:47,505 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,505 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:47,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,507 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,507 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:47,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:47,507 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:47,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,524 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,524 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:47,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:47,524 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,524 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:47,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,525 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,525 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,525 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:29:47,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:29:47,526 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:29:47,543 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,543 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,543 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:29:47,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:29:47,544 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,544 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:47,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,545 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,545 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,545 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:47,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:47,545 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:47,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,563 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,563 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:47,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:47,563 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,563 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:47,563 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:47,563 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:47,563 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,563 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:47,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,565 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,565 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:47,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:47,565 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:47,582 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,582 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,582 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:47,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:47,582 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,582 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:47,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,584 - INFO - number of orbitals:  110
+2024-12-09 10:29:47,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,584 - INFO - moving on ...
+2024-12-09 10:29:47,584 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:47,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,586 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,586 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,586 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:47,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:47,586 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:47,602 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,602 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,602 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:47,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:47,603 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,603 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:47,603 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:47,603 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:47,603 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,603 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:47,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,604 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,604 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:47,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:47,605 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:47,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,621 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,622 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:47,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:47,622 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,622 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:47,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,623 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,623 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,623 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:29:47,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:29:47,623 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:29:47,640 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,640 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,640 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:29:47,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:29:47,640 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,640 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:47,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,642 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,642 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,642 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:47,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:47,642 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:47,658 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,658 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,659 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:47,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:47,659 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,659 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:47,659 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:47,659 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:47,659 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,659 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:47,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,660 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,660 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,660 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:47,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:47,660 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:47,676 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,677 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,677 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:47,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:47,677 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,677 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:47,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,678 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,678 - INFO - moving on ...
+2024-12-09 10:29:47,678 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:47,679 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:47,679 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:47,679 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,679 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:47,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,680 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,680 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,680 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:47,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:47,680 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:47,697 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,697 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,697 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:47,697 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:47,697 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:47,698 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,698 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:47,698 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,698 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,698 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,700 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,700 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,700 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:47,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:47,700 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:47,716 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,716 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,716 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:47,716 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,716 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,716 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,718 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,718 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,718 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:47,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:47,719 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:47,735 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,735 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,735 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:47,735 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,735 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,737 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,737 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,737 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:47,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:47,737 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:47,753 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,754 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,754 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:47,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,754 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,754 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,756 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,756 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:47,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:47,756 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:47,774 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,774 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,774 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:47,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,774 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,777 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,777 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:47,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:47,777 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:47,793 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,794 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,794 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:47,794 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,794 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,794 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,797 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,797 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:47,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:47,797 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:47,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,814 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,814 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:47,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,816 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,816 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:47,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:47,816 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:47,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,833 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,833 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:47,833 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,833 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,833 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,835 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,835 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:47,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:47,835 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:47,851 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,852 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,852 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:47,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,852 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,854 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,854 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,854 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:47,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:47,854 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:47,870 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,871 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,871 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:47,871 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:47,871 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:47,871 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,871 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:47,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,872 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,872 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:47,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:47,873 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:47,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,890 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,890 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:47,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:47,890 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,890 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:47,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,892 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,892 - INFO - moving on ...
+2024-12-09 10:29:47,892 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:47,892 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:47,892 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:47,892 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,892 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:47,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,893 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,893 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:47,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:47,893 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:47,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,910 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,910 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:47,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:47,910 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,910 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:47,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,911 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,911 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:47,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:47,912 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:47,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,928 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,928 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:47,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:47,928 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,929 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:47,929 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:47,929 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:47,929 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,929 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:47,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,930 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,930 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:47,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:47,930 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:47,946 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,947 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,947 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:47,947 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:47,947 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:47,947 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,947 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:47,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,949 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,949 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:47,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:47,949 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:47,964 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,965 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,965 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:47,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:47,965 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,965 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:47,965 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:47,965 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:47,965 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,965 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:47,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,967 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,967 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,967 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:47,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:47,967 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:47,984 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,984 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,984 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:47,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:47,984 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,984 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:47,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,986 - INFO - number of orbitals:  116
+2024-12-09 10:29:47,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,986 - INFO - moving on ...
+2024-12-09 10:29:47,986 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:47,986 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:47,987 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:47,987 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,987 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:47,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,988 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,988 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,988 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:47,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:47,988 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:48,004 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,005 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,005 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:48,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:48,005 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,005 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:48,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,006 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,006 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,006 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:48,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:48,006 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:48,022 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,023 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,023 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:48,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:48,023 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,023 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:48,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,024 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,024 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,025 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:48,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:48,025 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:48,040 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,041 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,041 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:48,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:48,041 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,041 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:48,041 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:48,041 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:48,041 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,041 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:48,041 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,041 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,041 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,043 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,043 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,043 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:48,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:48,044 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:48,059 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,060 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,060 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:48,060 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,060 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,060 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,062 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,062 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,062 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:48,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:48,062 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:48,078 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,078 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,078 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:48,078 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,079 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,079 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,080 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,080 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,081 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:48,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:48,081 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:48,096 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,097 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,097 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:48,097 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,105 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,107 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,107 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,107 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:48,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:48,108 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:29:48,130 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,130 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,130 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:48,131 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,131 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,131 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,132 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,133 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,133 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:48,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:48,133 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:48,148 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,149 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,149 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:48,149 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,149 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,149 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,151 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,151 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:48,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:48,151 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:48,166 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,166 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,166 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:48,166 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,167 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,167 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,169 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,169 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:48,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:48,169 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:48,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,184 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,185 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:48,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,186 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,187 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,187 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:29:48,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:29:48,187 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:29:48,202 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,202 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,202 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:48,202 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,202 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,202 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,205 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,205 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:48,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:48,205 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:48,220 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,221 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,221 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:48,221 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,221 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,221 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,223 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,223 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:48,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:48,223 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:48,239 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,240 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,240 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:48,240 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,240 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,240 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,242 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,242 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:48,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:48,242 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:48,258 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,258 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,259 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:48,259 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,259 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,259 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,261 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,261 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,261 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:29:48,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:29:48,261 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:29:48,277 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,278 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,278 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:48,278 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:48,278 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:48,278 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,278 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:48,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,280 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,280 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,280 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:48,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:48,280 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:48,296 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,296 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,296 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:48,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:48,296 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,296 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:48,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,298 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,298 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:48,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:48,298 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:48,315 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,315 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,315 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:48,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:48,315 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,315 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:48,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,317 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,317 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,317 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:48,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:48,317 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:48,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,334 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,334 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:48,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:48,334 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,334 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:48,334 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:48,334 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:48,334 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,334 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:48,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,336 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,336 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:48,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:48,336 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:48,352 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,353 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,353 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:48,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:48,353 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,353 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:48,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,354 - INFO - number of orbitals:  110
+2024-12-09 10:29:48,355 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,355 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,355 - INFO - moving on ...
+2024-12-09 10:29:48,355 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:48,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,356 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,356 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:48,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:48,356 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:48,372 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,372 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,372 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:48,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:48,373 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,373 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:48,373 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:48,373 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:48,373 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,373 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:48,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,374 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,374 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:48,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:48,374 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:48,391 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,391 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,391 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:48,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:48,392 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,392 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:48,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,393 - INFO - number of orbitals:  110
+2024-12-09 10:29:48,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,393 - INFO - moving on ...
+2024-12-09 10:29:48,393 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:48,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,395 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,395 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:48,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:48,395 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:48,411 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,411 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,411 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:48,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:48,411 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,411 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:48,411 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:48,411 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:48,412 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,412 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:48,412 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,412 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,412 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,414 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,414 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,414 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:48,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:48,414 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:48,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,431 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,431 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:48,431 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,431 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,431 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,433 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,433 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:48,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:48,433 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:48,449 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,449 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,449 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:48,449 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,449 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,449 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,451 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,451 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,451 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:48,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:48,452 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:48,468 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,468 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,468 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:48,468 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,468 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,468 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,470 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,470 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,470 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:48,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:48,470 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:48,487 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,487 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,487 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:48,487 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,487 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,487 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,489 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,489 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,489 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:48,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:48,489 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:48,505 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,505 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,505 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:48,505 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,506 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,506 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,507 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,508 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:48,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:48,508 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:48,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,523 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,523 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:48,523 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,524 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,524 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,526 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,526 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:48,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:48,526 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:48,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,542 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,542 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:48,542 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,542 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,542 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,544 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,544 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:48,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:48,544 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:48,560 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,560 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,560 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:48,560 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,560 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,560 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,562 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,562 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:48,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:48,562 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:48,577 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,578 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,578 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:48,578 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:48,578 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:48,578 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,578 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:48,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,579 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,579 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,580 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:48,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:48,580 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:48,595 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,596 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,596 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:48,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:48,596 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,596 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:48,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,597 - INFO - number of orbitals:  88
+2024-12-09 10:29:48,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,597 - INFO - moving on ...
+2024-12-09 10:29:48,597 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:48,598 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:48,598 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:48,598 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,598 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:48,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,599 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,599 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,599 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:29:48,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:29:48,599 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:29:48,614 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,615 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,615 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:29:48,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:29:48,615 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,615 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:48,615 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:48,615 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:48,615 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,615 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:48,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,617 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,617 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,617 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:48,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:48,617 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:48,633 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,633 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,633 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:48,634 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:48,634 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:48,634 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,634 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:48,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,635 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:48,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:48,635 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:48,651 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,651 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,651 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:48,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:48,651 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,651 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:48,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,653 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,653 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,653 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:48,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:48,653 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:48,668 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,669 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,669 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:48,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:48,669 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,669 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:48,669 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:48,669 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:48,669 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,669 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:48,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,671 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,671 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,671 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:48,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:48,671 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:48,686 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,687 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,687 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:48,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:48,687 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,687 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:48,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,688 - INFO - number of orbitals:  90
+2024-12-09 10:29:48,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,689 - INFO - moving on ...
+2024-12-09 10:29:48,689 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:48,689 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:48,689 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:48,689 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,689 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:48,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,690 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,690 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,690 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:48,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:48,690 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:48,705 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,706 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,706 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:48,706 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:48,706 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:48,706 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,706 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:48,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,708 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,708 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,708 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:48,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:48,708 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:48,724 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,724 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,724 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:48,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:48,725 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,725 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:48,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,726 - INFO - number of orbitals:  88
+2024-12-09 10:29:48,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,726 - INFO - moving on ...
+2024-12-09 10:29:48,726 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:48,726 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:48,726 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:48,726 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,726 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:48,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,728 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,728 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,728 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:48,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:48,728 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:48,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,744 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,745 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:48,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:48,745 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,745 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:48,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,746 - INFO - number of orbitals:  106
+2024-12-09 10:29:48,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,746 - INFO - moving on ...
+2024-12-09 10:29:48,746 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:48,746 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:48,746 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:48,746 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,746 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:48,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,748 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,748 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,748 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:48,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:48,748 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:48,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,764 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,764 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:48,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:48,764 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,765 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:48,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,766 - INFO - number of orbitals:  118
+2024-12-09 10:29:48,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,766 - INFO - moving on ...
+2024-12-09 10:29:48,766 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:48,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,768 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,768 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,768 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:48,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:48,768 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:48,785 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,785 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,785 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:48,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:48,785 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,785 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:48,786 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:48,786 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:48,786 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,786 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:48,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,787 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,787 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,787 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:48,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:48,787 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:48,806 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,806 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,806 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:48,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:48,806 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,806 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:48,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,808 - INFO - number of orbitals:  114
+2024-12-09 10:29:48,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,808 - INFO - moving on ...
+2024-12-09 10:29:48,808 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:48,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,810 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,810 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,810 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:48,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:48,810 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:48,827 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,827 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,827 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:48,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:48,827 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,827 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:48,828 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:48,828 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:48,828 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,828 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:48,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,829 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,829 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,829 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:48,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:48,829 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:48,846 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,846 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,847 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:48,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:48,847 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,847 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:48,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,848 - INFO - number of orbitals:  115
+2024-12-09 10:29:48,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,848 - INFO - moving on ...
+2024-12-09 10:29:48,848 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:48,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,850 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,850 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,850 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:48,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:48,850 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:48,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,867 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,867 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:48,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:48,867 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,867 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:48,867 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:48,867 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:48,867 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,867 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:48,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,869 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,869 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,869 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:48,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:48,869 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:48,885 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,885 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,886 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:48,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:48,886 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,886 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:48,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,887 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,887 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,887 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:29:48,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:29:48,887 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:29:48,904 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,904 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,904 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:29:48,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:29:48,904 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,904 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:48,904 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:48,904 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:48,905 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,905 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:48,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,906 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,906 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,906 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:48,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:48,906 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:48,925 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,926 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,926 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:48,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:48,926 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,926 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:48,926 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:48,926 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:48,926 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,926 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:48,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,928 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,928 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,928 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:48,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:48,929 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:48,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,947 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,947 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:48,948 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:48,948 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:48,948 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,948 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:48,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,949 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,949 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:48,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:48,949 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:48,965 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,966 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,966 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:48,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:48,966 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,966 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:48,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,968 - INFO - number of orbitals:  86
+2024-12-09 10:29:48,968 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,968 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,968 - INFO - moving on ...
+2024-12-09 10:29:48,968 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:48,968 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:48,968 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:48,968 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,968 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:48,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,969 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,969 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,969 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:48,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:48,969 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:48,985 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,986 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,986 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:48,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:48,986 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,986 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:48,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,987 - INFO - number of orbitals:  88
+2024-12-09 10:29:48,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,987 - INFO - moving on ...
+2024-12-09 10:29:48,987 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:48,988 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:48,988 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:48,988 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,988 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:48,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,989 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,989 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:48,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:48,989 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:49,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,005 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,005 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:49,005 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:49,005 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:49,005 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,005 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:49,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,007 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,007 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,007 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:49,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:49,007 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:49,023 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,024 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,024 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:49,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:49,024 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,024 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:49,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,025 - INFO - number of orbitals:  88
+2024-12-09 10:29:49,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,025 - INFO - moving on ...
+2024-12-09 10:29:49,025 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:49,026 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:49,026 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:49,026 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,026 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:49,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,027 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,027 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:29:49,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:29:49,027 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:29:49,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,043 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,043 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:29:49,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:29:49,043 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,043 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:49,043 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:49,043 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:49,044 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,044 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:49,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,045 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,045 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:49,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:49,045 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:49,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,063 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,063 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:49,064 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:49,064 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:49,064 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,064 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:49,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,067 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,067 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,067 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:49,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:49,067 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:49,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,084 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,084 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:49,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:49,084 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,085 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:49,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,086 - INFO - number of orbitals:  116
+2024-12-09 10:29:49,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,086 - INFO - moving on ...
+2024-12-09 10:29:49,086 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:49,086 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:49,086 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:49,086 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,086 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:49,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,088 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,088 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,088 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:49,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:49,088 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:49,104 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,104 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,104 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:49,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:49,104 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,104 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:49,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,106 - INFO - number of orbitals:  88
+2024-12-09 10:29:49,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,106 - INFO - moving on ...
+2024-12-09 10:29:49,106 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:49,106 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:49,106 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:49,106 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,106 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:49,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,107 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,107 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,108 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:49,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:49,108 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:49,124 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,125 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,125 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:49,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:49,125 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,125 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:49,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,126 - INFO - number of orbitals:  88
+2024-12-09 10:29:49,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,126 - INFO - moving on ...
+2024-12-09 10:29:49,126 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:49,127 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:49,127 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:49,127 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,127 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:49,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,128 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,128 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,128 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:49,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:49,128 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:49,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,145 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,145 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:49,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:49,145 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,145 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:49,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,147 - INFO - number of orbitals:  110
+2024-12-09 10:29:49,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,147 - INFO - moving on ...
+2024-12-09 10:29:49,147 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:49,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,148 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,148 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:49,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:49,148 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:49,164 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,164 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,164 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:49,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:49,164 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,164 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:49,165 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:49,165 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:49,165 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,165 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:49,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,166 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,166 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,166 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:49,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:49,167 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:49,183 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,184 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,184 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:49,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:49,184 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,184 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:49,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,186 - INFO - number of orbitals:  135
+2024-12-09 10:29:49,186 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,186 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,186 - INFO - moving on ...
+2024-12-09 10:29:49,186 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:49,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,187 - INFO - number of orbitals:  88
+2024-12-09 10:29:49,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,187 - INFO - moving on ...
+2024-12-09 10:29:49,187 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:49,187 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:49,187 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:49,187 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,187 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:49,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,189 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,189 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:49,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:49,189 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:49,205 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,205 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,205 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:49,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:49,205 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,205 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:49,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,207 - INFO - number of orbitals:  119
+2024-12-09 10:29:49,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,207 - INFO - moving on ...
+2024-12-09 10:29:49,207 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:49,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,208 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,208 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,208 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:49,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:49,208 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:49,224 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,225 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,225 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:49,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:49,225 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,225 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:49,225 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:49,225 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:49,225 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,225 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:49,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,226 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,227 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,227 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:49,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:49,227 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:49,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,243 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,243 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:49,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:49,243 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,243 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:49,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,245 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,245 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,245 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:49,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:49,245 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:49,261 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,262 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,262 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:49,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:49,262 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,262 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:49,262 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:49,262 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:49,262 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,262 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:49,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,264 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,264 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,264 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:49,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:49,264 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:49,280 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,280 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,280 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:49,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:49,280 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,280 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:49,281 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:49,281 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:49,281 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,281 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:49,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,282 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,282 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,282 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:49,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:49,282 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:49,298 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,298 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,298 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:49,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:49,299 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,299 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:49,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,300 - INFO - number of orbitals:  89
+2024-12-09 10:29:49,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,300 - INFO - moving on ...
+2024-12-09 10:29:49,300 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:49,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,301 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,301 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,301 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:49,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:49,302 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:49,318 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,318 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,318 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:49,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:49,318 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,318 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:49,319 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:49,319 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:49,319 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,319 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:49,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,320 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,320 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,320 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:49,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:49,320 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:49,337 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,337 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,337 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:49,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:49,337 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,337 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:49,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,339 - INFO - number of orbitals:  94
+2024-12-09 10:29:49,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,339 - INFO - moving on ...
+2024-12-09 10:29:49,339 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:49,339 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:49,339 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:49,339 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,339 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:49,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,341 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,341 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,341 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:49,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:49,341 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:49,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,357 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,357 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:49,358 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:49,358 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:49,358 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,358 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:49,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,359 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,359 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,359 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:49,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:49,359 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:49,376 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,376 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,376 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:49,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:49,376 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,376 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:49,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,378 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,378 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,378 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:29:49,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:29:49,378 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:29:49,394 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,394 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,394 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:29:49,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:29:49,394 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,394 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:49,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,396 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,396 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,396 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:49,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:49,396 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:49,412 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,413 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,413 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:49,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:49,413 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,413 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:49,413 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:49,413 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:49,413 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,413 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:49,413 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,413 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,413 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,415 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,415 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,415 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:49,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:49,415 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:49,432 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,432 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,432 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:49,432 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,432 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,432 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,434 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,434 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,434 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:49,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:49,434 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:49,451 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,451 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,451 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:49,451 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,451 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,451 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,453 - INFO - number of orbitals:  90
+2024-12-09 10:29:49,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,454 - INFO - moving on ...
+2024-12-09 10:29:49,454 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:49,454 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,454 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,454 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,455 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,455 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,456 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:49,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:49,456 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:49,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,472 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,472 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:49,473 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,473 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,473 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,475 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,475 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,475 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:49,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:49,475 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:49,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,492 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,492 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:49,492 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,492 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,492 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,494 - INFO - number of orbitals:  90
+2024-12-09 10:29:49,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,494 - INFO - moving on ...
+2024-12-09 10:29:49,494 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:49,494 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:49,494 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:49,494 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,494 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:49,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,496 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,496 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,496 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:49,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:49,496 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:49,512 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,512 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,512 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:49,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:49,512 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,512 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:49,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,514 - INFO - number of orbitals:  115
+2024-12-09 10:29:49,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,514 - INFO - moving on ...
+2024-12-09 10:29:49,514 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:49,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,515 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,516 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,516 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:49,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:49,516 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:49,532 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,532 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,532 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:49,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:49,532 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,532 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:49,532 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:49,532 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:49,532 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,532 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:49,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,534 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,534 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:29:49,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:29:49,534 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:29:49,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,551 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,551 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:29:49,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:29:49,551 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:49,552 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:49,552 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:49,552 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,552 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:49,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,553 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,553 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,553 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:49,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:49,553 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:49,570 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,570 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,570 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:49,571 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:49,571 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:49,571 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,571 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:49,571 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,571 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,571 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,573 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,573 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:49,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:49,573 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:49,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,589 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,589 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:49,589 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,590 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,590 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,592 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,592 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:49,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:49,592 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:49,609 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,610 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,610 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:49,610 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,610 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,610 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,612 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:49,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:49,612 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:49,629 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,629 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,629 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:49,629 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,629 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,629 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,631 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,631 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,631 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:49,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:49,632 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:49,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,649 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,649 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:49,649 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,649 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,649 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,651 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,652 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,652 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:49,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:49,652 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:49,668 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,668 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,668 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:49,668 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,668 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,668 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,670 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,671 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,671 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:49,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:49,671 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:49,687 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,687 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,687 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:49,688 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:49,688 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:49,688 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,688 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:49,688 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,688 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,688 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,690 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,690 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,690 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:49,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:49,690 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:49,706 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,707 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,707 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:49,707 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,707 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,707 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,709 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,709 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,709 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:49,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:49,709 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:49,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,726 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,726 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:49,726 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,726 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,726 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,728 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,728 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,728 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:49,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:49,728 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:49,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,744 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,744 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:49,745 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:49,745 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:49,745 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,745 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:49,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,746 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,746 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,746 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:29:49,746 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:29:49,746 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:29:49,762 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,762 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,762 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:29:49,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:29:49,763 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,763 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:49,763 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:49,763 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:49,763 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,763 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:49,763 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,763 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,763 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,765 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,765 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,765 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:49,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:49,766 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:49,782 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,782 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,782 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:49,782 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,783 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,783 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,785 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,785 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,785 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:49,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:49,785 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:49,801 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,802 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,802 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:49,802 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,802 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,802 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,804 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,804 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,804 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:49,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:49,804 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:49,820 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,820 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,820 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:49,820 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,820 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,821 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,822 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,823 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:49,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:49,823 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:49,838 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,839 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,839 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:49,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,839 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,839 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,841 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,841 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:49,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:49,841 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:49,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,857 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,858 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:49,858 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,858 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,858 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,860 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,860 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,860 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:49,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:49,860 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:49,876 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,877 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,877 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:49,877 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,877 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,877 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,879 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,879 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,879 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:49,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:49,879 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:49,895 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,896 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,896 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:49,896 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,896 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,896 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,898 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,898 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:49,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:49,898 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:49,914 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,914 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,915 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:49,915 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,915 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,915 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,917 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,917 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,917 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:49,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:49,917 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:49,933 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,933 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,933 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:49,933 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,934 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,934 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,935 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,936 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,936 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:49,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:49,936 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:49,953 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,953 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,953 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:49,953 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,954 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,954 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,956 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,956 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,956 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:49,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:49,956 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:49,973 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,973 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,973 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:49,973 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,973 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,974 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,975 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,975 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,976 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:49,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:49,976 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:49,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,992 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,992 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:49,992 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,992 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,992 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,994 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,994 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:49,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:49,994 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:50,010 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,010 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,010 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:50,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,012 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,012 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,012 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:50,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:50,012 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:50,029 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,030 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,030 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:50,030 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,030 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,030 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,032 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,032 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,032 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:50,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:50,032 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:50,049 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,049 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,049 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:50,049 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,049 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,049 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,051 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,051 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,051 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:50,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:50,051 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:50,068 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,069 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,069 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:50,069 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:50,069 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:50,069 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,069 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:50,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,071 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,071 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,071 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:50,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:50,071 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:50,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,088 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,089 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:50,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:50,089 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,089 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:50,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,090 - INFO - number of orbitals:  90
+2024-12-09 10:29:50,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:50,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,090 - INFO - moving on ...
+2024-12-09 10:29:50,090 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:50,091 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:50,091 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:50,091 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,091 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:50,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,092 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,092 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,092 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:50,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:50,092 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:50,109 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,109 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,109 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:50,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:50,110 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,110 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:50,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,111 - INFO - number of orbitals:  118
+2024-12-09 10:29:50,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,111 - INFO - moving on ...
+2024-12-09 10:29:50,111 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:50,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,113 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,113 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,113 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:50,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:50,113 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:50,130 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,130 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,130 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:50,130 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:50,130 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,130 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:50,131 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:50,131 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:50,131 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,131 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:50,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,132 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,132 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,132 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:50,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:50,132 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:50,149 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,149 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,150 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:50,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:50,150 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,150 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:50,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,151 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,151 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:29:50,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:29:50,151 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:29:50,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,168 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,168 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:29:50,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:29:50,169 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,169 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:50,169 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:50,169 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:50,169 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,169 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:50,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,170 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,170 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:50,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:50,171 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,187 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,187 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:50,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:50,187 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,188 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:50,188 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:50,188 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:50,188 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,188 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:50,188 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,190 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,190 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:50,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:50,190 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:50,207 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,207 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,207 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:50,207 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,207 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,207 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,209 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,209 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,209 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:50,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:50,209 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:50,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,225 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,226 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:50,226 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,226 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,226 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,228 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,228 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,228 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:50,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:50,228 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,244 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,244 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:50,244 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,244 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,244 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,246 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,247 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,247 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:50,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:50,247 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,267 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,268 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,268 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:50,268 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,268 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,268 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,271 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,271 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,271 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:50,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:50,271 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:50,293 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,293 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,293 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:50,294 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,294 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,294 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,297 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,297 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:50,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:50,297 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:50,318 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,318 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,318 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:50,318 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,319 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,319 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,321 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,321 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,321 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:50,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:50,322 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:50,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,344 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,344 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:50,344 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,344 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,344 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,347 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,347 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,347 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:50,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:50,347 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:50,367 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,368 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,368 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:50,368 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,368 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,368 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,370 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,370 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,370 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:50,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:50,370 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:50,387 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,387 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,387 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:50,387 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,387 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,387 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,389 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,389 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,389 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:50,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:50,389 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:50,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,406 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,406 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:50,406 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,406 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,406 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,408 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,408 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,408 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:50,408 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:50,408 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,425 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,425 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,425 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:50,425 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,425 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,426 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,427 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,428 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,428 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:50,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:50,428 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:50,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,445 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,445 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:50,445 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:50,445 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:50,445 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,445 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:50,445 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,447 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,447 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,447 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:50,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:50,448 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:50,464 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,464 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,464 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:50,465 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,465 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,465 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,467 - INFO - number of orbitals:  108
+2024-12-09 10:29:50,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,467 - INFO - moving on ...
+2024-12-09 10:29:50,467 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:50,467 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:50,467 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:50,467 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,467 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:50,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,469 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,469 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:50,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:50,469 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:50,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,485 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,485 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:50,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:50,486 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,486 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:50,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,487 - INFO - number of orbitals:  135
+2024-12-09 10:29:50,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,487 - INFO - moving on ...
+2024-12-09 10:29:50,487 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:50,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,488 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,488 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,488 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:29:50,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:29:50,488 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:29:50,504 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,505 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,505 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:29:50,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:29:50,505 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,505 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:50,505 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:50,505 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:50,505 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,505 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:50,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,507 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,507 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:50,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:50,507 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:50,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,524 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,524 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:50,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:50,524 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,524 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:50,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,525 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,525 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,525 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:29:50,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:29:50,525 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:29:50,541 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,542 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,542 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:29:50,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:29:50,542 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,542 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:50,542 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:50,542 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:50,542 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,542 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:50,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,544 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,544 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:50,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:50,544 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:50,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,562 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,562 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:50,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:50,562 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,562 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:50,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,564 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,564 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,564 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:29:50,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:29:50,564 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:29:50,580 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,581 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,581 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:29:50,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:29:50,581 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,581 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:50,581 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:50,581 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:50,581 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,581 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:50,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,583 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,583 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,583 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:50,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:50,583 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:50,600 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,600 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,601 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:50,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:50,601 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,601 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:50,601 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:50,601 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:50,601 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,601 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:50,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,603 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,603 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,603 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:50,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:50,603 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:50,620 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,620 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,620 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:50,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:50,620 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,620 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:50,620 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:50,621 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:50,621 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,621 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:50,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,622 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,622 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,622 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:50,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:50,622 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:50,639 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,640 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,640 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:50,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:50,640 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,640 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:50,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,642 - INFO - number of orbitals:  118
+2024-12-09 10:29:50,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,642 - INFO - moving on ...
+2024-12-09 10:29:50,642 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:50,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,643 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,643 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,643 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:50,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:50,643 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:50,660 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,660 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,660 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:50,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:50,660 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,660 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:50,661 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:50,661 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:50,661 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,661 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:50,661 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,661 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,661 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,663 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,663 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,663 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:50,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:50,663 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,679 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,679 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,679 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:50,679 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,679 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,679 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,681 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,681 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,681 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:50,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:50,681 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:50,697 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,698 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,698 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:50,698 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,698 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,698 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,700 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,700 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,700 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:50,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:50,700 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:50,717 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,717 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,717 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:50,717 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,718 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,718 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,719 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,720 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,720 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:50,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:50,720 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,736 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,736 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,736 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:50,736 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,736 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,736 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,738 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,738 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,738 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:50,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:50,738 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:50,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,755 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,755 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:50,755 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,757 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,757 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,757 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:50,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:50,757 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:50,772 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,772 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,772 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:50,773 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,773 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,773 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,774 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,775 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,775 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:50,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:50,775 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:50,791 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,791 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,791 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:50,791 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,792 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,792 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,793 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,794 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,794 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:50,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:50,794 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:50,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,810 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,811 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:50,811 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:50,811 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:50,811 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,811 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:50,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,812 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,812 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,812 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:50,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:50,812 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:50,828 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,829 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,829 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:50,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:50,829 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,829 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:50,829 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:50,829 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:50,829 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,829 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:50,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,830 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,831 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,831 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:50,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:50,831 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:50,847 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,848 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,848 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:50,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:50,848 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,848 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:50,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,850 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,850 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,850 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:50,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:50,850 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:50,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,867 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,867 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:50,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:50,867 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,867 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:50,867 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:50,867 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:50,867 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,867 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:50,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,869 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,869 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,869 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:50,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:50,869 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:50,886 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,886 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,886 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:50,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:50,886 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,886 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:50,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,888 - INFO - number of orbitals:  119
+2024-12-09 10:29:50,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,888 - INFO - moving on ...
+2024-12-09 10:29:50,888 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:50,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,889 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,889 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,889 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:50,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:50,889 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:50,906 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,906 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,907 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:50,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:50,907 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,907 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:50,907 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:50,907 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:50,907 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,907 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:50,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,908 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,909 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,909 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:50,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:50,909 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:50,924 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,925 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,925 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:50,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:50,925 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,925 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:50,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,926 - INFO - number of orbitals:  135
+2024-12-09 10:29:50,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,926 - INFO - moving on ...
+2024-12-09 10:29:50,926 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:50,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,927 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,928 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:29:50,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:29:50,928 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:29:50,943 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,943 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,943 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:29:50,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:29:50,944 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,944 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:50,944 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:50,944 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:50,944 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,944 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:50,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,945 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,945 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:50,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:50,946 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:50,962 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,962 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,962 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:50,962 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:50,962 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,962 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:50,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,964 - INFO - number of orbitals:  118
+2024-12-09 10:29:50,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,964 - INFO - moving on ...
+2024-12-09 10:29:50,964 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:50,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,965 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,965 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:50,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:50,965 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:50,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,981 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,981 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:50,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:50,981 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,981 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:50,982 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:50,982 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:50,982 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,982 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:50,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,983 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,983 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,984 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:50,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:50,984 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:51,000 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,001 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,001 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:51,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:51,001 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,001 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:51,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,002 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,002 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,003 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:29:51,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:29:51,003 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:29:51,019 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,019 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,019 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:29:51,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:29:51,019 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,019 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:51,020 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:51,020 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:51,020 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,020 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:51,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,021 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,021 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,021 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:51,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:51,021 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:51,038 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,038 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,038 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:51,038 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:51,038 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,038 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:51,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,040 - INFO - number of orbitals:  110
+2024-12-09 10:29:51,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:51,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:51,040 - INFO - moving on ...
+2024-12-09 10:29:51,040 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:51,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,041 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,042 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,042 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:51,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:51,042 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:51,058 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,058 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,059 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:51,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:51,059 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,059 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:51,059 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:51,059 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:51,059 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,059 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:51,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,061 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,061 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,061 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:51,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:51,061 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:51,077 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,078 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,078 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:51,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:51,078 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,078 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:51,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,079 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,079 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 10:29:51,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 10:29:51,080 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 10:29:51,096 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,096 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,096 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 10:29:51,097 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 10:29:51,097 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,097 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:51,097 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:51,097 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:51,097 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,097 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:51,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,098 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:51,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:51,099 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:51,115 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,115 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,115 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:51,116 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:51,116 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:51,116 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,116 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:51,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,117 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,117 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,117 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:51,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:51,118 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:51,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,135 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,135 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:51,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:51,135 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,135 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:51,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,137 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,137 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,137 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 10:29:51,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 10:29:51,137 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 10:29:51,153 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,154 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,154 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 10:29:51,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 10:29:51,154 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,154 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:51,154 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:51,154 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:51,154 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,154 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:51,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,156 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,156 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,156 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:51,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:51,156 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:51,173 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,173 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,174 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:51,174 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:51,174 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:51,174 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,174 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:51,174 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,174 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,174 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,176 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,176 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,176 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:51,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:51,176 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:51,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,194 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,194 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:51,194 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,194 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,194 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,197 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,197 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,197 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:51,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:51,197 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:51,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,215 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,215 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:51,215 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,215 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,215 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,217 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,217 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,217 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:51,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:51,217 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:51,234 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,234 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,235 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:51,235 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,235 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,235 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,237 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,237 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:51,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:51,237 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:51,254 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,254 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,254 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:51,255 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:51,255 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:51,255 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,255 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:51,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,256 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,257 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,257 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:51,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:51,257 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:51,274 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,274 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,274 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:51,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:51,275 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,275 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:51,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,276 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,276 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,276 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:29:51,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:29:51,276 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:29:51,293 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,294 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,294 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:29:51,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:29:51,294 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,294 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:51,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,296 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,296 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:51,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:51,296 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:51,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,314 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,314 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:51,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:51,314 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,314 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:51,314 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:51,314 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:51,314 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,314 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:51,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,316 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,316 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:51,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:51,316 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:51,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,333 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,333 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:51,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:51,333 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,333 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:51,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,335 - INFO - number of orbitals:  110
+2024-12-09 10:29:51,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:51,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:51,335 - INFO - moving on ...
+2024-12-09 10:29:51,335 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:51,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,337 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,337 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:51,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:51,337 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:51,354 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,354 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,354 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:51,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:51,354 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,354 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:51,354 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:51,354 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:51,354 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,355 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:51,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,356 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,356 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:51,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:51,356 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:51,374 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,374 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,374 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:51,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:51,374 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,374 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:51,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,376 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,376 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,376 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:29:51,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:29:51,376 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:29:51,393 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,394 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,394 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:29:51,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:29:51,394 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,394 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:51,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,396 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,396 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,396 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:51,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:51,396 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:51,418 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,419 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,419 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:51,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:51,419 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,419 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:51,419 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:51,419 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:51,419 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,419 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:51,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,421 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,422 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,422 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:51,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:51,422 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:51,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,448 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,448 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:51,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:51,448 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,448 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:51,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,450 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,450 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,450 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 10:29:51,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 10:29:51,450 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 10:29:51,475 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,476 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,476 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 10:29:51,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 10:29:51,476 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:51,476 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:51,476 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:51,476 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,476 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:51,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,478 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,478 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,478 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:51,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:51,479 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:51,499 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,500 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,500 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:51,500 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:51,500 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:51,500 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,500 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:51,500 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,500 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,500 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,502 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,502 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:51,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:51,503 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:51,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,523 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,524 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:51,524 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,524 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,524 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,527 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,527 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,527 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:51,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:51,527 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:51,543 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,543 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,544 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:51,544 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,544 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,544 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,546 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,546 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:51,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:51,546 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:51,563 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,563 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,563 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:51,563 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,563 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,564 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,565 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,566 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:51,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:51,566 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:51,582 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,583 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,583 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:51,583 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,583 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,583 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,585 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,585 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,585 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:51,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:51,585 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:51,602 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,602 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,602 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:51,602 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,605 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,605 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:51,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:51,605 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:51,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,621 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,621 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:51,621 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,622 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,622 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,624 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,624 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,624 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:51,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:51,624 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:51,640 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,641 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,641 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:51,641 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,641 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,641 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,643 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,643 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,643 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:51,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:51,643 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:51,660 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,660 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,660 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:51,660 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,661 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,661 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,662 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,663 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,663 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:51,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:51,663 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:51,680 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,680 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,680 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:51,681 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:51,681 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:51,681 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,681 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:51,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,682 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,682 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,682 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:51,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:51,682 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:51,699 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,700 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,700 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:51,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:51,700 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,700 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:51,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,701 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,701 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,701 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 10:29:51,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 10:29:51,701 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 10:29:51,718 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,718 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,718 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 10:29:51,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 10:29:51,718 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,718 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:51,718 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:51,719 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:51,719 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,719 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:51,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,720 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,720 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,720 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:51,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:51,720 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:51,737 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,738 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,738 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:51,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:51,738 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,738 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:51,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,739 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,739 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,739 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:51,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:51,739 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:51,756 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,756 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,756 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:51,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:51,756 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,757 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:51,757 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:51,757 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:51,757 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,757 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:51,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,758 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,758 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,758 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:51,758 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:51,758 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:51,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,776 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,776 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:51,776 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:51,776 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:51,776 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,776 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:51,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,778 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,778 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,778 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:51,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:51,778 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:51,795 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,796 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,796 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:51,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:51,796 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,796 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:51,796 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:51,796 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:51,796 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,796 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:51,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,798 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,798 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,798 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:51,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:51,798 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:51,815 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,815 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,815 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:51,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:51,815 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,815 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:51,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,817 - INFO - number of orbitals:  116
+2024-12-09 10:29:51,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:51,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:51,817 - INFO - moving on ...
+2024-12-09 10:29:51,817 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:51,817 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:51,818 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:51,818 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,818 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:51,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,819 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,819 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,819 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:51,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:51,819 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:51,836 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,836 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,836 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:51,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:51,837 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,837 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:51,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,838 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,838 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,838 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:51,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:51,838 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:51,854 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,855 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,855 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:51,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:51,855 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,855 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:51,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,857 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,857 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,857 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:51,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:51,857 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:51,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,874 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,874 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:51,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:51,874 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,874 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:51,874 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:51,874 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:51,874 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,874 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:51,874 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,874 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,874 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,876 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,876 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,876 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:51,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:51,876 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:51,893 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,893 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,893 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:51,893 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,893 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,893 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,895 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,895 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,895 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:51,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:51,895 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:51,912 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,912 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,912 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:51,912 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,912 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,912 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,914 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,914 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,914 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:51,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:51,914 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:51,930 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,931 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,931 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:51,931 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,931 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,931 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,933 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,933 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,933 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:51,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:51,933 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:29:51,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,950 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,951 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:51,951 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,953 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,953 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,953 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:51,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:51,953 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:51,969 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,970 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,970 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:51,970 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,970 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,970 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,972 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,972 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:51,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:51,972 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:51,989 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,989 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,990 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:51,990 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,990 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,990 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,992 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,992 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,992 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:51,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:51,992 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:52,009 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,009 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,009 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:52,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,012 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,012 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,012 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:29:52,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:29:52,012 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:29:52,028 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,029 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,029 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:52,029 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,029 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,029 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,031 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,031 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:52,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:52,031 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:52,047 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,048 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,048 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:52,048 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,048 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,048 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,050 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,050 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,050 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:52,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:52,050 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:52,066 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,067 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,067 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:52,067 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,067 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,067 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,069 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,069 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,069 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:52,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:52,069 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:52,086 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,086 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,086 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:52,086 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,086 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,086 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,088 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,088 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,088 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:29:52,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:29:52,088 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:29:52,105 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,105 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,106 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:52,106 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:52,106 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:52,106 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,106 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:52,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,108 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,108 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,108 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:52,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:52,108 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:52,125 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,125 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,125 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:52,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:52,125 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,125 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:52,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,127 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,127 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,127 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:52,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:52,127 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:52,143 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,144 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,144 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:52,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:52,144 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,144 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:52,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,145 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,145 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,145 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:52,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:52,146 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:52,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,163 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,163 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:52,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:52,163 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,163 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:52,164 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:52,164 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:52,164 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,164 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:52,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,165 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,165 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:52,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:52,165 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:52,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,182 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,182 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:52,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:52,182 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,182 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:52,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,184 - INFO - number of orbitals:  110
+2024-12-09 10:29:52,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,184 - INFO - moving on ...
+2024-12-09 10:29:52,184 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:52,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,185 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,185 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,185 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:52,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:52,185 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:52,202 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,202 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,202 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:52,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:52,202 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,202 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:52,203 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:52,203 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:52,203 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,203 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:52,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,204 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,204 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:52,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:52,204 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:52,220 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,221 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,221 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:52,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:52,221 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,221 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:52,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,222 - INFO - number of orbitals:  110
+2024-12-09 10:29:52,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,223 - INFO - moving on ...
+2024-12-09 10:29:52,223 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:52,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,224 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,224 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,224 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:52,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:52,224 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:52,240 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,240 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,241 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:52,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:52,241 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,241 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:52,241 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:52,241 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:52,241 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,241 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:52,241 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,241 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,241 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,243 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,244 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,244 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:52,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:52,244 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:52,260 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,261 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,261 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:52,261 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,261 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,261 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,263 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,263 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,263 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:52,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:52,263 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:52,280 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,281 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,281 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:52,281 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,281 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,281 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,283 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,283 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,283 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:52,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:52,283 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:52,300 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,300 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,301 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:52,301 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,301 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,301 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,303 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,303 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,303 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:52,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:52,303 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:52,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,319 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,319 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:52,319 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,320 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,320 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,321 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,322 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,322 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:52,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:52,322 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:52,338 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,338 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,338 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:52,339 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,339 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,339 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,341 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,341 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,341 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:52,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:52,341 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:52,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,358 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,358 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:52,358 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,358 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,358 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,360 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,360 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,360 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:52,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:52,360 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:52,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,377 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,377 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:52,377 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,377 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,378 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,379 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,379 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,379 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:52,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:52,380 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:52,396 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,396 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,396 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:52,396 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,396 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,396 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,398 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,398 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,398 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:52,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:52,398 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:52,415 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,416 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,416 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:52,416 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:52,416 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:52,416 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,416 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:52,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,418 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,418 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,418 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:52,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:52,418 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:52,435 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,435 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,435 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:52,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:52,435 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,435 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:52,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,437 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,437 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,437 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-09 10:29:52,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-09 10:29:52,437 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-09 10:29:52,456 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,457 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,457 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-09 10:29:52,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-09 10:29:52,457 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,457 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:52,457 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:52,457 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:52,457 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,457 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:52,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,459 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,459 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,459 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:29:52,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:29:52,459 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:29:52,476 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,476 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,476 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:29:52,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:29:52,476 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:52,476 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:52,476 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:52,477 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,477 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:52,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,478 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,478 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,478 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:52,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:52,478 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:52,495 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,496 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,496 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:52,496 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:52,496 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:52,496 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,496 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:52,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,498 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,498 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,498 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:52,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:52,498 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:52,515 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,515 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,515 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:52,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:52,516 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,516 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:52,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,517 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,517 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:52,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:52,517 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:52,534 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,534 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,534 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:52,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:52,535 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,535 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:52,535 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:52,535 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:52,535 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,535 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:52,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,536 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,536 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,536 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:52,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:52,536 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:52,553 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,553 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,553 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:52,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:52,553 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,553 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:52,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,555 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,555 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,555 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-09 10:29:52,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-09 10:29:52,555 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-09 10:29:52,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,572 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,572 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-09 10:29:52,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-09 10:29:52,572 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,572 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:52,572 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:52,572 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:52,572 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,572 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:52,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,574 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,574 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,574 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:52,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:52,574 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:52,590 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,590 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,590 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:52,591 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:52,591 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:52,591 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,591 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:52,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,592 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,592 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:52,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:52,592 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:52,608 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,609 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,609 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:52,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:52,609 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,609 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:52,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,611 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,611 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,611 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-09 10:29:52,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-09 10:29:52,611 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-09 10:29:52,628 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,628 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,628 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-09 10:29:52,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-09 10:29:52,628 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,628 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:52,628 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:52,628 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:52,628 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,628 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:52,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,630 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,630 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,630 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:52,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:52,630 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:52,647 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,647 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,647 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:52,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:52,647 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,647 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:52,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,649 - INFO - number of orbitals:  106
+2024-12-09 10:29:52,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,649 - INFO - moving on ...
+2024-12-09 10:29:52,649 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:52,649 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:52,649 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:52,649 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,649 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:52,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,650 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,650 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,650 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:52,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:52,651 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:52,666 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,666 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,666 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:52,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:52,667 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,667 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:52,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,668 - INFO - number of orbitals:  118
+2024-12-09 10:29:52,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,668 - INFO - moving on ...
+2024-12-09 10:29:52,668 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:52,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,669 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,669 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,669 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:52,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:52,669 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:52,686 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,686 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,686 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:52,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:52,686 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,686 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:52,687 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:52,687 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:52,687 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,687 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:52,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,688 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,688 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,688 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:52,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:52,689 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:52,706 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,706 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,706 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:52,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:52,706 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,706 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:52,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,708 - INFO - number of orbitals:  114
+2024-12-09 10:29:52,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,708 - INFO - moving on ...
+2024-12-09 10:29:52,708 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:52,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,709 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,709 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,709 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:52,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:52,709 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:52,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,726 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,726 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:52,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:52,726 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,726 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:52,726 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:52,726 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:52,726 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,726 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:52,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,728 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,728 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,728 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:52,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:52,728 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:52,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,745 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,745 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:52,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:52,745 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,745 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:52,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,746 - INFO - number of orbitals:  115
+2024-12-09 10:29:52,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,746 - INFO - moving on ...
+2024-12-09 10:29:52,746 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:52,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,748 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,748 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,748 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:52,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:52,748 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:52,763 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,764 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,764 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:52,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:52,764 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,764 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:52,764 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:52,764 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:52,764 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,764 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:52,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,765 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,766 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,766 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:52,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:52,766 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:52,781 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,782 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,782 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:52,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:52,782 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,782 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:52,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,783 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,784 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,784 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:29:52,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:29:52,784 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:29:52,800 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,800 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,800 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:29:52,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:29:52,800 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,800 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:52,800 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:52,800 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:52,801 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,801 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:52,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,802 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,802 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,802 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:52,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:52,802 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:52,818 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,819 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,819 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:52,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:52,819 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,819 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:52,819 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:52,819 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:52,819 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,819 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:52,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,821 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,821 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,821 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:52,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:52,821 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:52,837 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,838 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,838 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:52,838 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:52,838 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:52,838 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,838 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:52,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,839 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,839 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,839 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:52,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:52,839 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:52,855 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,855 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,855 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:52,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:52,855 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,855 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:52,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,856 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,857 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,857 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
+2024-12-09 10:29:52,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
+2024-12-09 10:29:52,857 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
+2024-12-09 10:29:52,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,873 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,873 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
+2024-12-09 10:29:52,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
+2024-12-09 10:29:52,873 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,873 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:52,874 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:52,874 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:52,874 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,874 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:52,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,875 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,875 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:52,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:52,875 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:52,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,892 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,892 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:52,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:52,892 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,892 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:52,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,893 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,893 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
+2024-12-09 10:29:52,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
+2024-12-09 10:29:52,893 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
+2024-12-09 10:29:52,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,909 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,909 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
+2024-12-09 10:29:52,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
+2024-12-09 10:29:52,910 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,910 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:52,910 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:52,910 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:52,910 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,910 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:52,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,911 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,911 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:52,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:52,911 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:52,927 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,928 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,928 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:52,928 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:52,928 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:52,928 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,928 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:52,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,930 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,930 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:52,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:52,930 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:52,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,947 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,947 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:52,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:52,947 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,947 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:52,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,949 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,949 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
+2024-12-09 10:29:52,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
+2024-12-09 10:29:52,949 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
+2024-12-09 10:29:52,965 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,965 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,965 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
+2024-12-09 10:29:52,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
+2024-12-09 10:29:52,965 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,965 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:52,965 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:52,965 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:52,966 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,966 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:52,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,967 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,967 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,967 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:29:52,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:29:52,968 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:29:52,985 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,985 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,985 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:29:52,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:29:52,985 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,985 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:52,985 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:52,986 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:52,986 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,986 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:52,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,987 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,987 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,987 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:52,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:52,987 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:53,003 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,003 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,004 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:53,004 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:53,004 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:53,004 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,004 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:53,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,005 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,005 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,005 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:53,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:53,006 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:53,022 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,023 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,023 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:53,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:53,023 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,023 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:53,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,024 - INFO - number of orbitals:  116
+2024-12-09 10:29:53,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,024 - INFO - moving on ...
+2024-12-09 10:29:53,025 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:53,025 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:53,025 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:53,025 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,025 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:53,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,026 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,026 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,026 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:53,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:53,026 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:53,042 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,043 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,043 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:53,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:53,043 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,043 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:53,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,045 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,045 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
+2024-12-09 10:29:53,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
+2024-12-09 10:29:53,045 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
+2024-12-09 10:29:53,061 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,062 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,062 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
+2024-12-09 10:29:53,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
+2024-12-09 10:29:53,062 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,062 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:53,062 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:53,062 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:53,062 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,062 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:53,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,063 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,064 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,064 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:53,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:53,064 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:53,080 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,080 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,080 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:53,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:53,080 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,080 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:53,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,082 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,082 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,082 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
+2024-12-09 10:29:53,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
+2024-12-09 10:29:53,082 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
+2024-12-09 10:29:53,099 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,099 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,099 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
+2024-12-09 10:29:53,099 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
+2024-12-09 10:29:53,099 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,099 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:53,099 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:53,099 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:53,099 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,100 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:53,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,101 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,101 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:53,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:53,101 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:53,118 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,118 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,118 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:53,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:53,118 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,118 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:53,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,120 - INFO - number of orbitals:  110
+2024-12-09 10:29:53,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,120 - INFO - moving on ...
+2024-12-09 10:29:53,120 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:53,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,121 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,121 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,121 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:53,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:53,121 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:53,137 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,138 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,138 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:53,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:53,138 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,138 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:53,138 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:53,138 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:53,138 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,138 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:53,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,140 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,140 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,140 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:53,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:53,140 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:53,156 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,156 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,157 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:53,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:53,157 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,157 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:53,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,158 - INFO - number of orbitals:  135
+2024-12-09 10:29:53,158 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,158 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,158 - INFO - moving on ...
+2024-12-09 10:29:53,158 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:53,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,160 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,160 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
+2024-12-09 10:29:53,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
+2024-12-09 10:29:53,160 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,176 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,176 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,176 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
+2024-12-09 10:29:53,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
+2024-12-09 10:29:53,176 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,176 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:53,177 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:53,177 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:53,177 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,177 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:53,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,178 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,178 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,178 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:53,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:53,178 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:53,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,195 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,195 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:53,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:53,195 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,196 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:53,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,197 - INFO - number of orbitals:  119
+2024-12-09 10:29:53,197 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,197 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,197 - INFO - moving on ...
+2024-12-09 10:29:53,197 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:53,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,199 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,199 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,199 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:53,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:53,199 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:53,215 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,216 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,216 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:53,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:53,216 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,216 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:53,216 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:53,216 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:53,216 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,216 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:53,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,218 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,218 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:53,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:53,218 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:53,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,235 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,235 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:53,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:53,235 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,235 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:53,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,237 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,237 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:53,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:53,237 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:53,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,253 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,253 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:53,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:53,253 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,253 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:53,254 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:53,254 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:53,254 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,254 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:53,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,255 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,255 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:53,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:53,255 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:53,271 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,272 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,272 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:53,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:53,272 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,272 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:53,272 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:53,272 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:53,272 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,272 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:53,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,274 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,274 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,274 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:53,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:53,274 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:53,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,290 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,290 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:53,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:53,290 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,290 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:53,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,292 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,292 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
+2024-12-09 10:29:53,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
+2024-12-09 10:29:53,292 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
+2024-12-09 10:29:53,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,309 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,309 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
+2024-12-09 10:29:53,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
+2024-12-09 10:29:53,309 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,309 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:53,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,310 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,310 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,310 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:53,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:53,311 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,326 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,327 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,327 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:53,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:53,327 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,327 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:53,327 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:53,327 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:53,327 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,327 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:53,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,329 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,329 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,329 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:53,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:53,329 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:53,345 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,345 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,346 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:53,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:53,346 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,346 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:53,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,347 - INFO - number of orbitals:  94
+2024-12-09 10:29:53,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,347 - INFO - moving on ...
+2024-12-09 10:29:53,347 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:53,347 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:53,348 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:53,348 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,348 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:53,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,349 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,349 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,349 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:53,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:53,349 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:53,365 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,366 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,366 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:53,366 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:53,366 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:53,366 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,366 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:53,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,367 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,368 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,368 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:53,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:53,368 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:53,384 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,384 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,384 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:53,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:53,384 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,384 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:53,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,386 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,386 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,386 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:29:53,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:29:53,386 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:29:53,402 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,403 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,403 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:29:53,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:29:53,403 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,403 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:53,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,404 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,404 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,404 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:53,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:53,404 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:53,422 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,422 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,423 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:53,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:53,423 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,423 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:53,423 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:53,423 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:53,423 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,423 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:53,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,424 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,424 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,426 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,426 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,426 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:53,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:53,426 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:53,443 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,443 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,443 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:53,443 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,444 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,444 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,446 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,446 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,446 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:53,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:53,446 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:53,463 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,463 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,463 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:53,464 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,464 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,464 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,466 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,466 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,466 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
+2024-12-09 10:29:53,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
+2024-12-09 10:29:53,466 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,483 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,483 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,483 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:53,483 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,483 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,483 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,485 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,485 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:53,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:53,485 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:53,502 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,502 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,502 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:53,502 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,502 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,502 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,504 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,504 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,504 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:53,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:53,505 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:53,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,521 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,521 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:53,521 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,521 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,521 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,523 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,523 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,523 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
+2024-12-09 10:29:53,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
+2024-12-09 10:29:53,523 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
+2024-12-09 10:29:53,540 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,540 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,540 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:53,540 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:53,540 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:53,540 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,540 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:53,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,542 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,542 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,542 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:53,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:53,542 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:53,558 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,559 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,559 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:53,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:53,559 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,559 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:53,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,560 - INFO - number of orbitals:  115
+2024-12-09 10:29:53,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,560 - INFO - moving on ...
+2024-12-09 10:29:53,560 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:53,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,562 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,562 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:53,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:53,562 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:53,578 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,578 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,578 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:53,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:53,578 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,579 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:53,579 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:53,579 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:53,579 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,579 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:53,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,580 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,580 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,580 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:29:53,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:29:53,580 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:29:53,596 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,596 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,596 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:29:53,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:29:53,596 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,596 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:53,597 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:53,597 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:53,597 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,597 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:53,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,598 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,598 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,598 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:53,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:53,598 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:53,614 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,614 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,614 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:53,615 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:53,615 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:53,615 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,615 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:53,615 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,615 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,615 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,617 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,617 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,617 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:53,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:53,617 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:53,633 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,634 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,634 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:53,634 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,634 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,634 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,636 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,636 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,636 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:53,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:53,636 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:53,653 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,653 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,653 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:53,654 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,654 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,654 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,656 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,656 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,656 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:53,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:53,656 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:53,673 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,674 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,674 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:53,674 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,674 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,674 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,676 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,676 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,676 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:53,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:53,676 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:53,692 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,693 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,693 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:53,693 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,693 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,693 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,695 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,695 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,695 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:53,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:53,695 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:53,712 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,712 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,713 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:53,713 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,713 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,713 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,715 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,715 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:53,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:53,715 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:53,732 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,732 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,732 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:53,732 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:53,733 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:53,733 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,733 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:53,733 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,733 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,733 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,735 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,735 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,735 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:53,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:53,735 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,753 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,753 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,753 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:53,753 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,753 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,753 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,755 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,756 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,756 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:53,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:53,756 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:53,774 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,774 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,774 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:53,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,775 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,778 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,778 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:53,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:53,778 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:53,798 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,799 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,799 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:53,799 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:53,799 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:53,799 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,799 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:53,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,801 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,801 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,801 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:29:53,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:29:53,801 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:29:53,818 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,819 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,819 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:29:53,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:29:53,819 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,819 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:53,819 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:53,819 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:53,820 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,820 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:53,820 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,820 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,820 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,822 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,822 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:53,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:53,822 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:53,844 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,844 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,845 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:53,845 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,845 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,847 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,847 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,847 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:53,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:53,848 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:53,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,872 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,872 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:53,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,875 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,875 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:53,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:53,875 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:53,893 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,894 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,894 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:53,894 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,894 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,894 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,897 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,897 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,897 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:53,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:53,897 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,916 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,917 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,917 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:53,917 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,917 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,917 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,919 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,919 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,919 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:53,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:53,919 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:53,935 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,935 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,935 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:53,935 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,936 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,936 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,938 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,938 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,938 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:53,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:53,938 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:53,956 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,957 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,957 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:53,957 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,957 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,957 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,959 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,960 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,960 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:53,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:53,960 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:53,979 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,979 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,979 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:53,979 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,979 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,980 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,982 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,982 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,982 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:53,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:53,982 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:53,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,999 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,999 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:53,999 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,000 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,000 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,002 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,002 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,002 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:54,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:54,002 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:54,019 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,019 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,019 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:54,019 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,020 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,020 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,022 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,022 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,022 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:54,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:54,022 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:54,038 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,039 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,039 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:54,039 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,039 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,039 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,041 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,041 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,041 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:54,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:54,041 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:54,058 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,059 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,059 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:54,059 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,059 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,059 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,061 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,061 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,061 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:54,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:54,062 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:54,079 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,079 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,079 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:54,079 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,079 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,080 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,081 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,081 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,082 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:54,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:54,082 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:54,098 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,098 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,098 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:54,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,099 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,100 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,101 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,101 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:54,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:54,101 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:54,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,117 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,117 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:54,117 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,117 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,119 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,119 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,120 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:54,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:54,120 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:54,137 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,137 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,137 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:54,137 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,137 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,137 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,139 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,139 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,139 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:54,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:54,139 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:54,156 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,156 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,156 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:54,157 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:54,157 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:54,157 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,157 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:54,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,159 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,159 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:54,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:54,159 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:54,175 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,175 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,175 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:54,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:54,175 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,175 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:54,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,177 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,177 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,177 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
+2024-12-09 10:29:54,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
+2024-12-09 10:29:54,177 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
+2024-12-09 10:29:54,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,194 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,194 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
+2024-12-09 10:29:54,194 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
+2024-12-09 10:29:54,194 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,194 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:54,194 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:54,194 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:54,194 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,194 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:54,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,196 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,196 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,196 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:54,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:54,196 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:54,212 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,212 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,213 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:54,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:54,213 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,213 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:54,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,214 - INFO - number of orbitals:  118
+2024-12-09 10:29:54,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:54,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:54,214 - INFO - moving on ...
+2024-12-09 10:29:54,214 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:54,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,215 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,216 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,216 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:54,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:54,216 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:54,232 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,233 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,233 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:54,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:54,233 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,233 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:54,233 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:54,233 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:54,233 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,233 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:54,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,235 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,235 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,235 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:54,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:54,235 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:54,252 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,253 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,253 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:54,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:54,253 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,253 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:54,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,255 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,255 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:29:54,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:29:54,255 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:29:54,273 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,274 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,274 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:29:54,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:29:54,274 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,274 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:54,274 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:54,274 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:54,274 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,274 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:54,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,276 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,277 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,277 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:54,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:54,277 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,300 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,300 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:54,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:54,300 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,300 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:54,301 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:54,301 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:54,301 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,301 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:54,301 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,301 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,301 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,304 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,304 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,304 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:54,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:54,304 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:54,321 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,322 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,322 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:54,322 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,322 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,322 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,324 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,324 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,325 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:54,325 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:54,325 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:54,341 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,342 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,342 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:54,342 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,342 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,342 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,344 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,344 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,344 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:54,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:54,344 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,361 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,361 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,361 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:54,361 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,361 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,362 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,363 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,364 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,364 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:54,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:54,364 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,387 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,387 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,387 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:54,388 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,388 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,388 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,391 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,391 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:54,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:54,391 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:54,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,410 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,410 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:54,410 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,411 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,411 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,413 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,413 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:54,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:54,413 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:54,431 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,431 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,431 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:54,431 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,431 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,431 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,433 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,433 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:54,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:54,434 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:54,450 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,451 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,451 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:54,451 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,451 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,451 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,453 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,453 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:54,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:54,453 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:54,471 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,471 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,471 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:54,471 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,472 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,472 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,474 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,474 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,474 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:54,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:54,474 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:54,490 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,490 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,490 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:54,491 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,491 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,491 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,493 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,493 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,493 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:54,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:54,493 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:54,509 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,510 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,510 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:54,510 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,510 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,510 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,512 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,512 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,512 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:54,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:54,512 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,529 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,529 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,529 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:54,529 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,529 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,529 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,531 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,531 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,531 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:54,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:54,532 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:54,548 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,548 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,548 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:54,549 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:54,549 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:54,549 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,549 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:54,549 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,549 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,549 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,551 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,551 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,551 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:54,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:54,551 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:54,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,567 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,568 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:54,568 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,568 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,568 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,570 - INFO - number of orbitals:  108
+2024-12-09 10:29:54,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:54,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:54,570 - INFO - moving on ...
+2024-12-09 10:29:54,570 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:54,570 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:54,570 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:54,570 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,570 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:54,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,572 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,572 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:54,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:54,572 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:54,588 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,588 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,588 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:54,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:54,588 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,588 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:54,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,590 - INFO - number of orbitals:  135
+2024-12-09 10:29:54,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:54,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:54,590 - INFO - moving on ...
+2024-12-09 10:29:54,590 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:54,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,591 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,591 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,591 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:29:54,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:29:54,591 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:29:54,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,607 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,607 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:29:54,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:29:54,607 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,607 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:54,608 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:54,608 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:54,608 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,608 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:54,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,609 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,609 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:54,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:54,609 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:54,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,626 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,626 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:54,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:54,626 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,626 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:54,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,628 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,628 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:29:54,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:29:54,628 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:29:54,644 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,644 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,644 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:29:54,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:29:54,644 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,644 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:54,644 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:54,644 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:54,644 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,645 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:54,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,646 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,646 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,646 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:54,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:54,646 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:54,662 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,662 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,662 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:54,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:54,663 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,663 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:54,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,664 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,664 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,664 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:29:54,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:29:54,664 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:29:54,680 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,681 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,681 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:29:54,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:29:54,681 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,681 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:54,682 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:54,682 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:54,682 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,682 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:54,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,684 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,684 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,684 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:54,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:54,684 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:54,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,702 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,702 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:54,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:54,703 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,703 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:54,703 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:54,703 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:54,703 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,703 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:54,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,704 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,704 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,705 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:54,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:54,705 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:54,720 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,721 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,721 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:54,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:54,721 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,721 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:54,721 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:54,721 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:54,721 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,721 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:54,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,723 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,723 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,723 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:54,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:54,723 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:54,739 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,740 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,740 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:54,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:54,740 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,740 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:54,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,742 - INFO - number of orbitals:  118
+2024-12-09 10:29:54,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:54,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:54,742 - INFO - moving on ...
+2024-12-09 10:29:54,742 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:54,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,743 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,743 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,743 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:54,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:54,743 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:54,758 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,759 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,759 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:54,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:54,759 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,759 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:54,759 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:54,759 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:54,759 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,759 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:54,759 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,760 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,760 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,761 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,762 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,762 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:54,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:54,762 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,778 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,778 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,778 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:54,779 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,779 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,779 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,781 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,781 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,781 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:54,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:54,781 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:54,797 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,797 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,798 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:54,798 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,798 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,798 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,800 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,800 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,800 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:54,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:54,800 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:54,816 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,817 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,817 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:54,817 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,817 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,817 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,819 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,819 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,819 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:54,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:54,819 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,835 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,836 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,836 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:54,836 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,836 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,836 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,838 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,838 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,838 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:54,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:54,838 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:54,854 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,855 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,855 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:54,855 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,855 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,855 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,857 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,857 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,857 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:54,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:54,857 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:54,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,873 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,874 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:54,874 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,874 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,874 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,876 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,876 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,876 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:54,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:54,876 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:54,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,892 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,892 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:54,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,894 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,894 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:54,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:54,894 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:54,912 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,912 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,912 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:54,913 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:54,913 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:54,913 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,913 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:54,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,915 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,915 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,915 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:54,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:54,915 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:54,938 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,938 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,939 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:54,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:54,939 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,939 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:54,939 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:54,939 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:54,939 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,939 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:54,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,941 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,941 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,941 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:54,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:54,941 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:54,964 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,964 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,964 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:54,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:54,965 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,965 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:54,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,967 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,967 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,967 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:54,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:54,967 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:54,990 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,990 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,991 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:54,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:54,991 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,991 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:54,991 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:54,991 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:54,991 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,991 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:54,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,994 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,994 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:54,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:54,994 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:55,010 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,011 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,011 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:55,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:55,011 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,011 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:55,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,012 - INFO - number of orbitals:  119
+2024-12-09 10:29:55,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,012 - INFO - moving on ...
+2024-12-09 10:29:55,012 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:55,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,014 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,014 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,014 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:55,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:55,014 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:55,030 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,031 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,031 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:55,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:55,031 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,031 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:55,031 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:55,031 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:55,031 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,031 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:55,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,033 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,033 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,033 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:55,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:55,033 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:55,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,049 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,049 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:55,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:55,049 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,049 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:55,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,050 - INFO - number of orbitals:  135
+2024-12-09 10:29:55,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,050 - INFO - moving on ...
+2024-12-09 10:29:55,051 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:55,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,052 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,052 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,052 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:29:55,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:29:55,052 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:29:55,068 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,068 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,068 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:29:55,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:29:55,068 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,068 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:55,068 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:55,069 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:55,069 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,069 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:55,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,070 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,070 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,070 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:55,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:55,070 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:55,086 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,087 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,087 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:55,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:55,087 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,087 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:55,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,089 - INFO - number of orbitals:  118
+2024-12-09 10:29:55,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,089 - INFO - moving on ...
+2024-12-09 10:29:55,089 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:55,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,090 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,090 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:55,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:55,090 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:55,107 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,107 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,107 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:55,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:55,107 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,107 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:55,107 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:55,107 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:55,107 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,107 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:55,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,109 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,109 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,109 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:55,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:55,109 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:55,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,127 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,127 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:55,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:55,127 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,127 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:55,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,129 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,129 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:29:55,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:29:55,129 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:29:55,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,145 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,145 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:29:55,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:29:55,146 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,146 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:55,146 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:55,146 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:55,146 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,146 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:55,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,147 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,147 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,147 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:55,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:55,147 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:55,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,163 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,163 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:55,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:55,163 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,164 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:55,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,165 - INFO - number of orbitals:  110
+2024-12-09 10:29:55,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,165 - INFO - moving on ...
+2024-12-09 10:29:55,165 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:55,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,166 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,166 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,166 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:55,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:55,166 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:55,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,182 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,182 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:55,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:55,182 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,182 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:55,182 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:55,183 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:55,183 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,183 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:55,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,184 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,184 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,184 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:55,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:55,184 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:55,200 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,201 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,201 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:55,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:55,201 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,201 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:55,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,202 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,202 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,202 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 10:29:55,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 10:29:55,203 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 10:29:55,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,219 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,219 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 10:29:55,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 10:29:55,220 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,220 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:55,220 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:55,220 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:55,220 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,220 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:55,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,221 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,221 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,222 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:55,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:55,222 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:55,238 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,238 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,239 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:55,239 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:55,239 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:55,239 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,239 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:55,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,240 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,240 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:55,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:55,240 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:55,256 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,257 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,257 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:55,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:55,257 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,257 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:55,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,259 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,259 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,259 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 10:29:55,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 10:29:55,259 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 10:29:55,276 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,276 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,276 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 10:29:55,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 10:29:55,276 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,276 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:55,277 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:55,277 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:55,277 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,277 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:55,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,278 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,278 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:55,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:55,278 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:55,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,296 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,296 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:55,296 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:55,296 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:55,296 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,296 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:55,296 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,296 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,296 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,299 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,299 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:55,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:55,299 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:55,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,319 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,319 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:55,319 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,320 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,320 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,322 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,322 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,322 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:55,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:55,323 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:55,344 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,344 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,344 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:55,344 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,344 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,345 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,347 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,347 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,347 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:55,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:55,347 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:55,367 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,367 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,368 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:55,368 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,368 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,368 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,371 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,371 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,371 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:55,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:55,371 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:55,394 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,395 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,395 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:55,395 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:55,395 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:55,395 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,395 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:55,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,397 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,397 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,397 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:55,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:55,397 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:55,414 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,415 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,415 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:55,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:55,415 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,415 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:55,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,416 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,417 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,417 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:29:55,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:29:55,417 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:29:55,433 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,434 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,434 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:29:55,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:29:55,434 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,434 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:55,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,435 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,435 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,435 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:55,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:55,436 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:55,454 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,455 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,455 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:55,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:55,455 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,455 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:55,455 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:55,455 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:55,455 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,455 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:55,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,456 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,457 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,457 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:55,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:55,457 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:55,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,473 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,473 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:55,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:55,473 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,473 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:55,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,474 - INFO - number of orbitals:  110
+2024-12-09 10:29:55,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,474 - INFO - moving on ...
+2024-12-09 10:29:55,474 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:55,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,475 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,476 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,476 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:55,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:55,476 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:55,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,492 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,492 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:55,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:55,492 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,492 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:55,492 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:55,492 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:55,492 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,492 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:55,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,494 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,494 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,494 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:55,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:55,494 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:55,510 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,511 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,511 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:55,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:55,511 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,511 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:55,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,512 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,512 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,513 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:29:55,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:29:55,513 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:29:55,529 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,529 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,529 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:29:55,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:29:55,530 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,530 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:55,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,531 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,531 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,531 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:55,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:55,531 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:55,548 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,548 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,548 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:55,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:55,548 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,548 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:55,549 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:55,549 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:55,549 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,549 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:55,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,550 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,550 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,550 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:55,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:55,550 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:55,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,567 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,567 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:55,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:55,567 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,567 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:55,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,569 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,569 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,569 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 10:29:55,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 10:29:55,569 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 10:29:55,585 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,586 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,586 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 10:29:55,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 10:29:55,586 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,586 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:55,586 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:55,586 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:55,586 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,586 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:55,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,588 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,588 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,588 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:55,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:55,588 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:55,604 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,604 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,604 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:55,605 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:55,605 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:55,605 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,605 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:55,605 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,605 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,605 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,607 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,607 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,607 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:55,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:55,607 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:55,623 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,624 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,624 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:55,624 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,624 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,624 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,626 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,626 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,626 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:55,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:55,626 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:55,642 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,643 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,643 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:55,643 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,643 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,643 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,645 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,645 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,645 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:55,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:55,645 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:55,661 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,662 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,662 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:55,662 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,662 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,662 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,664 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,664 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,664 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:55,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:55,664 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:55,680 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,680 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,680 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:55,681 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,681 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,681 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,683 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,683 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,683 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:55,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:55,683 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:55,699 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,699 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,699 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:55,699 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,700 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,700 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,701 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,702 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,702 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:55,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:55,702 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:55,718 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,718 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,718 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:55,718 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,718 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,718 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,720 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,720 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,720 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:55,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:55,721 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:55,737 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,738 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,738 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:55,738 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,738 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,738 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,740 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,740 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,740 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:55,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:55,740 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:55,756 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,757 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,757 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:55,757 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,757 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,757 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,759 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,759 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,759 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:55,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:55,759 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:55,775 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,776 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,776 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:55,776 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:55,776 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:55,776 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,776 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:55,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,778 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,778 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,778 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:55,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:55,778 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:55,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,794 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,794 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:55,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:55,794 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,794 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:55,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,796 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,796 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,796 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 10:29:55,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 10:29:55,796 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 10:29:55,812 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,812 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,812 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 10:29:55,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 10:29:55,812 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,812 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:55,812 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:55,812 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:55,812 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,812 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:55,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,814 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,814 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,814 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:55,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:55,814 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:55,830 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,831 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,831 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:55,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:55,831 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,831 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:55,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,832 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,832 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,832 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:55,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:55,832 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:55,848 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,849 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,849 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:55,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:55,849 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,849 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:55,849 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:55,849 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:55,849 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,849 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:55,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,851 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,851 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,851 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:55,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:55,851 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:55,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,867 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,867 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:55,867 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:55,867 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:55,867 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,867 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:55,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,868 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,868 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:55,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:55,869 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:55,885 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,885 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,885 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:55,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:55,885 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,885 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:55,885 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:55,885 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:55,886 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,886 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:55,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,887 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,887 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,887 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:55,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:55,887 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:55,902 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,903 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,903 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:55,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:55,903 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,903 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:55,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,904 - INFO - number of orbitals:  116
+2024-12-09 10:29:55,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,905 - INFO - moving on ...
+2024-12-09 10:29:55,905 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:55,905 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:55,905 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:55,905 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,905 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:55,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,906 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,906 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,906 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:55,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:55,906 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:55,923 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,923 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,924 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:55,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:55,924 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,924 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:55,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,925 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,925 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,925 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:55,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:55,925 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:55,941 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,942 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,942 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:55,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:55,942 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,942 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:55,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,943 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,943 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,943 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:55,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:55,943 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:55,958 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,958 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,959 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:55,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:55,959 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,959 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:55,959 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:55,959 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:55,959 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,959 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:55,959 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,959 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,959 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,961 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,961 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,961 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:55,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:55,961 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:55,976 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,977 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,977 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:55,977 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,977 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,977 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,979 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,979 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,979 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:55,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:55,979 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:55,995 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,995 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,995 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:55,995 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,996 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,996 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,997 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,998 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,998 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:55,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:55,998 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:56,014 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,014 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,014 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:56,014 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,014 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,014 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,016 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,017 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,017 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:56,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:56,017 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:29:56,033 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,033 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,033 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:56,033 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,034 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,034 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,035 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,035 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,035 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:56,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:56,036 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:56,051 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,052 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,052 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:56,052 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,052 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,052 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,054 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,054 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,054 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:56,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:56,055 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:56,070 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,071 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,071 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:56,071 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,071 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,071 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,073 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,073 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,073 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:56,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:56,073 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:56,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,089 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,089 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:56,089 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,089 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,089 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,091 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,091 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:29:56,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:29:56,091 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:29:56,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,106 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,106 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:56,107 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,107 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,107 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,108 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,109 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,109 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:56,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:56,109 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:56,123 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,124 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,124 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:56,124 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,124 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,124 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,126 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,126 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,126 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:56,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:56,126 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:56,142 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,142 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,142 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:56,142 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,142 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,142 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,144 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,144 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,144 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:56,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:56,144 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:56,160 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,160 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,160 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:56,160 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,160 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,160 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,162 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,162 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,162 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:29:56,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:29:56,162 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:29:56,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,178 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,178 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:56,178 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:56,178 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:56,178 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,178 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:56,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,179 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,179 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,180 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:56,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:56,180 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:56,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,196 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,196 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:56,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:56,196 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,196 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:56,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,197 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,197 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,197 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:56,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:56,198 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:56,212 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,213 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,213 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:56,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:56,213 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,213 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:56,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,214 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,215 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,215 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:56,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:56,215 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:56,231 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,231 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,231 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:56,231 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:56,231 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,231 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:56,232 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:56,232 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:56,232 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,232 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:56,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,233 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,233 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,233 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:56,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:56,233 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:56,249 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,249 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,249 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:56,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:56,249 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,249 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:56,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,251 - INFO - number of orbitals:  110
+2024-12-09 10:29:56,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,251 - INFO - moving on ...
+2024-12-09 10:29:56,251 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:56,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,252 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,252 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,252 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:56,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:56,253 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:56,269 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,269 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,269 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:56,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:56,269 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,269 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:56,269 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:56,269 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:56,269 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,269 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:56,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,271 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,271 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,271 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:56,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:56,271 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:56,287 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,287 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,287 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:56,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:56,287 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,287 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:56,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,289 - INFO - number of orbitals:  110
+2024-12-09 10:29:56,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,289 - INFO - moving on ...
+2024-12-09 10:29:56,289 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:56,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,290 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,290 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,290 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:56,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:56,290 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:56,306 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,307 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,307 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:56,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:56,307 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,307 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:56,307 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:56,307 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:56,307 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,307 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:56,307 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,307 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,307 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,309 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,309 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,309 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:56,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:56,309 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:56,325 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,326 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,326 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:56,326 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,326 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,326 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,328 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,328 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,328 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:56,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:56,328 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:56,344 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,345 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,345 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:56,345 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,345 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,345 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,347 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,347 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,347 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:56,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:56,347 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:56,363 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,363 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,364 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:56,364 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,364 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,364 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,366 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,366 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,366 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:56,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:56,366 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:56,383 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,383 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,383 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:56,383 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,383 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,383 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,385 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,385 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,385 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:56,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:56,386 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:56,402 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,402 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,402 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:56,402 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,402 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,402 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,404 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,404 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,404 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:56,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:56,405 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:56,421 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,421 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,421 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:56,421 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,422 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,422 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,423 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,423 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,423 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:56,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:56,424 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:56,440 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,440 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,440 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:56,440 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,441 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,441 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,443 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,443 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:56,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:56,443 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:56,459 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,459 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,459 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:56,460 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,460 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,460 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,461 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,462 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,462 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:56,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:56,462 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:56,478 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,479 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,479 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:56,479 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:56,479 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:56,479 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,479 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:56,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,481 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,481 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,481 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:56,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:56,481 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:56,497 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,498 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,498 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:56,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:56,498 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,498 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:56,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,499 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,499 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,499 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-09 10:29:56,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-09 10:29:56,499 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-09 10:29:56,516 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,516 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,516 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-09 10:29:56,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-09 10:29:56,516 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,516 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:56,516 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:56,516 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:56,516 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,516 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:56,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,518 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,518 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,518 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:29:56,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:29:56,518 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:29:56,535 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,535 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,535 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:29:56,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:29:56,535 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,535 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:56,535 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:56,535 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:56,535 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,535 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:56,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,537 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,537 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,537 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:56,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:56,537 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:56,553 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,553 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,553 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:56,554 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:56,554 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:56,554 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,554 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:56,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,555 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,555 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,555 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:56,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:56,555 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:56,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,571 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,571 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:56,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:56,571 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,571 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:56,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,573 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,573 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:56,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:56,573 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:56,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,589 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,589 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:56,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:56,589 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,589 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:56,589 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:56,590 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:56,590 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,590 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:56,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,591 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,591 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,591 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:56,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:56,591 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:56,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,608 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,608 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:56,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:56,608 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,608 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:56,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,609 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,609 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-09 10:29:56,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-09 10:29:56,609 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-09 10:29:56,625 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,626 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,626 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-09 10:29:56,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-09 10:29:56,626 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,626 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:56,626 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:56,626 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:56,626 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,626 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:56,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,628 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,628 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:56,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:56,628 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:56,643 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,644 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,644 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:56,644 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:56,644 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:56,644 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,644 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:56,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,646 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,646 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,646 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:56,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:56,646 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:56,662 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,662 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,662 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:56,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:56,662 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,662 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:56,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,664 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,664 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,664 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-09 10:29:56,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-09 10:29:56,664 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-09 10:29:56,681 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,681 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,681 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-09 10:29:56,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-09 10:29:56,681 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,681 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:56,681 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:56,682 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:56,682 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,682 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:56,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,683 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,683 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,683 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:56,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:56,683 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:56,700 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,701 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,701 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:56,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:56,701 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,701 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:56,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,703 - INFO - number of orbitals:  106
+2024-12-09 10:29:56,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,703 - INFO - moving on ...
+2024-12-09 10:29:56,703 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:56,703 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:56,703 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:56,703 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,703 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:56,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,705 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,705 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:56,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:56,705 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:56,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,722 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,722 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:56,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:56,722 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,722 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:56,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,724 - INFO - number of orbitals:  118
+2024-12-09 10:29:56,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,724 - INFO - moving on ...
+2024-12-09 10:29:56,724 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:56,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,725 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,725 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,725 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:56,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:56,725 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:56,743 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,743 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,743 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:56,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:56,743 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,743 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:56,743 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:56,744 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:56,744 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,744 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:56,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,745 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,745 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,745 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:56,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:56,746 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:56,762 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,762 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,762 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:56,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:56,762 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,762 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:56,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,764 - INFO - number of orbitals:  114
+2024-12-09 10:29:56,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,764 - INFO - moving on ...
+2024-12-09 10:29:56,764 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:56,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,765 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,765 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,765 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:56,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:56,765 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:56,781 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,782 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,782 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:56,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:56,782 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,782 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:56,782 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:56,782 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:56,782 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,782 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:56,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,784 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,784 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,784 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:56,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:56,784 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:56,800 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,801 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,801 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:56,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:56,801 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,801 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:56,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,802 - INFO - number of orbitals:  115
+2024-12-09 10:29:56,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,803 - INFO - moving on ...
+2024-12-09 10:29:56,803 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:56,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,804 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,804 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,804 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:56,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:56,804 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:56,820 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,820 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,820 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:56,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:56,820 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,820 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:56,821 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:56,821 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:56,821 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,821 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:56,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,822 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,822 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:56,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:56,822 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:56,838 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,839 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,839 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:56,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:56,839 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,839 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:56,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,840 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,840 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,840 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:29:56,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:29:56,840 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:29:56,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,857 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,857 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:29:56,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:29:56,857 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,857 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:56,858 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:56,858 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:56,858 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,858 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:56,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,859 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,859 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,859 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:56,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:56,859 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:56,875 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,876 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,876 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:56,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:56,876 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,876 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:56,876 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:56,876 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:56,876 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,876 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:56,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,878 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,878 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,878 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:56,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:56,878 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:56,894 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,895 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,895 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:56,895 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:56,895 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:56,895 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,895 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:56,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,897 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,897 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,897 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:56,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:56,897 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:56,913 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,913 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,913 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:56,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:56,914 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,914 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:56,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,915 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,915 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,915 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
+2024-12-09 10:29:56,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
+2024-12-09 10:29:56,915 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
+2024-12-09 10:29:56,931 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,932 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,932 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
+2024-12-09 10:29:56,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
+2024-12-09 10:29:56,932 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,932 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:56,932 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:56,932 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:56,932 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,932 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:56,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,934 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,934 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,934 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:56,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:56,934 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:56,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,951 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,951 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:56,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:56,951 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,951 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:56,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,953 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,953 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
+2024-12-09 10:29:56,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
+2024-12-09 10:29:56,953 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
+2024-12-09 10:29:56,969 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,969 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,969 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
+2024-12-09 10:29:56,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
+2024-12-09 10:29:56,969 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,969 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:56,970 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:56,970 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:56,970 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,970 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:56,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,971 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,971 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,971 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:56,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:56,971 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:56,987 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,988 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,988 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:56,988 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:56,988 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:56,988 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,988 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:56,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,990 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,990 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,990 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:56,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:56,990 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:57,006 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,006 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,006 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:57,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:57,007 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,007 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:57,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,008 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,008 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,008 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
+2024-12-09 10:29:57,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
+2024-12-09 10:29:57,008 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
+2024-12-09 10:29:57,025 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,025 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,026 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
+2024-12-09 10:29:57,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
+2024-12-09 10:29:57,026 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,026 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:57,026 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:57,026 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:57,026 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,026 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:57,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,028 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,028 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,028 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:29:57,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:29:57,028 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:29:57,044 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,044 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,045 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:29:57,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:29:57,045 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,045 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:57,045 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:57,045 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:57,045 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,045 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:57,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,046 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,047 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,047 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:57,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:57,047 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:57,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,063 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,063 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:57,063 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:57,063 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:57,063 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,063 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:57,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,065 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,065 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,065 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:57,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:57,065 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:57,081 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,082 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,082 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:57,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:57,082 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,082 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:57,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,084 - INFO - number of orbitals:  116
+2024-12-09 10:29:57,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,084 - INFO - moving on ...
+2024-12-09 10:29:57,084 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:57,084 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:57,084 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:57,084 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,084 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:57,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,085 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,085 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:57,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:57,086 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:57,102 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,102 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,102 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:57,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:57,102 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,103 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:57,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,104 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,104 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
+2024-12-09 10:29:57,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
+2024-12-09 10:29:57,104 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
+2024-12-09 10:29:57,120 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,120 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,121 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
+2024-12-09 10:29:57,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
+2024-12-09 10:29:57,121 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,121 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:57,121 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:57,121 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:57,121 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,121 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:57,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,123 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,123 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:57,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:57,123 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:57,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,140 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,140 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:57,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:57,140 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,140 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:57,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,142 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,142 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
+2024-12-09 10:29:57,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
+2024-12-09 10:29:57,142 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
+2024-12-09 10:29:57,158 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,158 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,158 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
+2024-12-09 10:29:57,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
+2024-12-09 10:29:57,158 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,158 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:57,158 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:57,158 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:57,158 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,158 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:57,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,160 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,160 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,160 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:57,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:57,160 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:57,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,177 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,177 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:57,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:57,178 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,178 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:57,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,179 - INFO - number of orbitals:  110
+2024-12-09 10:29:57,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,179 - INFO - moving on ...
+2024-12-09 10:29:57,179 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:57,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,181 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,181 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:57,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:57,181 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:57,197 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,198 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,198 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:57,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:57,198 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,198 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:57,198 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:57,198 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:57,198 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,198 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:57,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,200 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,200 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,200 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:57,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:57,200 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:57,216 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,216 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,217 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:57,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:57,217 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,217 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:57,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,218 - INFO - number of orbitals:  135
+2024-12-09 10:29:57,218 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,218 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,218 - INFO - moving on ...
+2024-12-09 10:29:57,218 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:57,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,219 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,219 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,220 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
+2024-12-09 10:29:57,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
+2024-12-09 10:29:57,220 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,236 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,236 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
+2024-12-09 10:29:57,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
+2024-12-09 10:29:57,236 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,236 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:57,236 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:57,237 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:57,237 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,237 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:57,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,239 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,239 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,239 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:57,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:57,239 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:57,256 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,256 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,256 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:57,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:57,256 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,256 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:57,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,258 - INFO - number of orbitals:  119
+2024-12-09 10:29:57,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,258 - INFO - moving on ...
+2024-12-09 10:29:57,258 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:57,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,259 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,259 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,259 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:57,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:57,260 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:57,276 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,276 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,276 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:57,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:57,276 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,276 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:57,277 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:57,277 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:57,277 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,277 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:57,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,278 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,278 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:57,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:57,278 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:57,294 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,295 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,295 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:57,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:57,295 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,295 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:57,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,297 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,297 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,297 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:57,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:57,297 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:57,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,313 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,314 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:57,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:57,314 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,314 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:57,314 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:57,314 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:57,314 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,314 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:57,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,315 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,315 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,315 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:57,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:57,316 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:57,331 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,331 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,332 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:57,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:57,332 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,332 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:57,332 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:57,332 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:57,332 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,332 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:57,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,333 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,333 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,333 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:57,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:57,333 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:57,350 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,350 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,350 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:57,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:57,350 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,350 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:57,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,352 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,352 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,352 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
+2024-12-09 10:29:57,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
+2024-12-09 10:29:57,352 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
+2024-12-09 10:29:57,369 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,370 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,370 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
+2024-12-09 10:29:57,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
+2024-12-09 10:29:57,370 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,370 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:57,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,372 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,372 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,372 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:57,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:57,372 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,390 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,390 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,390 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:57,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:57,390 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,390 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:57,391 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:57,391 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:57,391 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,391 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:57,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,392 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,392 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,392 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:57,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:57,393 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:57,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,409 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,409 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:57,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:57,409 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,410 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:57,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,411 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,411 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,411 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
+2024-12-09 10:29:57,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
+2024-12-09 10:29:57,411 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
+2024-12-09 10:29:57,428 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,428 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,428 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
+2024-12-09 10:29:57,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
+2024-12-09 10:29:57,428 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,428 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:57,429 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:57,429 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:57,429 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,429 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:57,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,430 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,430 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:57,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:57,430 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:57,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,447 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,448 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:57,448 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:57,448 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:57,448 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,448 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:57,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,450 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,450 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,450 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:57,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:57,450 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:57,466 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,466 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,467 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:57,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:57,467 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,467 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:57,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,468 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,468 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,468 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:29:57,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:29:57,468 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:29:57,484 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,485 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,485 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:29:57,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:29:57,485 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,485 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:57,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,486 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,486 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,486 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:57,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:57,486 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:57,502 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,502 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,502 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:57,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:57,503 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,503 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:57,503 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:57,503 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:57,503 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,503 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:57,503 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,503 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,503 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,505 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,505 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,505 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:57,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:57,505 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:57,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,521 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,521 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:57,521 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,521 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,521 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,523 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,523 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,523 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:57,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:57,523 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:57,540 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,540 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,540 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:57,540 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,541 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,541 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,543 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,543 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,543 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
+2024-12-09 10:29:57,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
+2024-12-09 10:29:57,543 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,559 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,559 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,559 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:57,560 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,560 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,560 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,562 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,562 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:57,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:57,562 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:57,578 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,578 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,578 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:57,578 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,578 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,578 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,580 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,580 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,580 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:57,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:57,580 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:57,597 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,597 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,597 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:57,597 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,597 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,597 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,599 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,599 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,599 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
+2024-12-09 10:29:57,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
+2024-12-09 10:29:57,599 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
+2024-12-09 10:29:57,615 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,616 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,616 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:57,616 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:57,616 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:57,616 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,616 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:57,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,618 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,618 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,618 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:57,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:57,618 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:57,634 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,634 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,634 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:57,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:57,635 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,635 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:57,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,636 - INFO - number of orbitals:  115
+2024-12-09 10:29:57,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,636 - INFO - moving on ...
+2024-12-09 10:29:57,636 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:57,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,637 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,637 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,638 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:57,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:57,638 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:57,654 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,654 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,654 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:57,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:57,654 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,654 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:57,654 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:57,654 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:57,654 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,654 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:57,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,656 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,656 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,656 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:29:57,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:29:57,656 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:29:57,672 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,672 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,672 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:29:57,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:29:57,672 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:57,672 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:57,672 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:57,672 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,672 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:57,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,674 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,674 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,674 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:57,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:57,674 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:57,689 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,690 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,690 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:57,690 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:57,690 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:57,690 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,690 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:57,690 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,690 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,690 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,692 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,692 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,692 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:57,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:57,692 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:57,709 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,709 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,709 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:57,709 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,710 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,710 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,711 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,711 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,711 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:57,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:57,712 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:57,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,727 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,727 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:57,728 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,728 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,728 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,730 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,730 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:57,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:57,730 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:57,745 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,746 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,746 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:57,746 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,746 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,746 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,748 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,748 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,748 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:57,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:57,748 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:57,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,765 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,765 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:57,765 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,765 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,765 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,767 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,767 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,767 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:57,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:57,767 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:57,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,783 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,784 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:57,784 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,784 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,784 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,786 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,786 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,786 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:57,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:57,786 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:57,802 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,802 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,803 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:57,803 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:57,803 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:57,803 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,803 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:57,803 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,803 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,803 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,805 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,805 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,805 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:57,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:57,805 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,821 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,821 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,822 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:57,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,823 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,824 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,824 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:57,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:57,824 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:57,839 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,840 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,840 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:57,840 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,840 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,840 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,842 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,842 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,842 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:57,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:57,842 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:57,858 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,858 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,858 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:57,859 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:57,859 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:57,859 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,859 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:57,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,860 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,860 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,860 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:29:57,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:29:57,860 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:29:57,877 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,877 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,877 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:29:57,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:29:57,877 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,877 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:57,878 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:57,878 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:57,878 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,878 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:57,878 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,878 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,878 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,880 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,880 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,880 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:57,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:57,880 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:57,897 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,897 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,897 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:57,897 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,897 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,897 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,899 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,899 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,899 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:57,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:57,899 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:57,916 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,916 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,916 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:57,916 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,917 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,917 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,919 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,919 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,919 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:57,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:57,919 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:57,935 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,936 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,936 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:57,936 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,936 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,936 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,938 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,938 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,938 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:57,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:57,938 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,954 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,955 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,955 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:57,955 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,955 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,955 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,957 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,957 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,957 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:57,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:57,957 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:57,973 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,974 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,974 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:57,974 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,974 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,974 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,976 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,976 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,976 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:57,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:57,976 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:57,992 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,992 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,992 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:57,993 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,993 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,993 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,995 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,995 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:57,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:57,995 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:58,011 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,011 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,011 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:58,011 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,011 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,011 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,013 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,013 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:58,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:58,013 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:58,029 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,030 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,030 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:58,030 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,030 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,030 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,032 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,032 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,032 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:58,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:58,032 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:58,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,048 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,048 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:58,048 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,048 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,049 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,050 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,050 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,050 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:58,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:58,051 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:58,067 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,068 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,068 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:58,068 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,068 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,068 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,070 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,070 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,070 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:58,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:58,070 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:58,087 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,087 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,087 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:58,087 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,087 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,087 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,089 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,089 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,089 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:58,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:58,089 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:58,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,106 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,106 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:58,106 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,106 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,106 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,108 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,108 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,108 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:58,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:58,109 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:58,125 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,125 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,126 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:58,126 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,126 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,126 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,128 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,128 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,128 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:58,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:58,128 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:58,144 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,145 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,145 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:58,145 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,145 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,145 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,147 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,147 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,147 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:58,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:58,147 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:58,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,163 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,163 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:58,163 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,163 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,163 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,165 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,165 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:58,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:58,165 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:58,181 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,181 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,181 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:58,182 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:58,182 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:58,182 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,182 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:58,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,183 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,183 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,183 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:58,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:58,183 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:58,199 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,199 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,199 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:58,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:58,199 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,199 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:58,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,200 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,201 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,201 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
+2024-12-09 10:29:58,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
+2024-12-09 10:29:58,201 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
+2024-12-09 10:29:58,215 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,216 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,216 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
+2024-12-09 10:29:58,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
+2024-12-09 10:29:58,216 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,216 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:58,216 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:58,216 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:58,216 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,216 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:58,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,218 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,218 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:58,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:58,218 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:58,234 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,234 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,234 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:58,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:58,234 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,234 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:58,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,236 - INFO - number of orbitals:  118
+2024-12-09 10:29:58,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,236 - INFO - moving on ...
+2024-12-09 10:29:58,236 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:58,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,237 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,237 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:58,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:58,237 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:58,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,253 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,253 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:58,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:58,253 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,253 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:58,254 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:58,254 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:58,254 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,254 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:58,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,255 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,255 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:58,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:58,255 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:58,272 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,272 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,272 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:58,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:58,272 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,272 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:58,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,274 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,274 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,274 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:29:58,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:29:58,274 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:29:58,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,290 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,291 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:29:58,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:29:58,291 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,291 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:58,291 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:58,291 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:58,291 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,291 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:58,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,293 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,293 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:58,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:58,293 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,309 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,309 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:58,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:58,309 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,309 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:58,309 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:58,309 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:58,309 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,309 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:58,310 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,310 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,310 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,312 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,312 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:58,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:58,312 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:58,327 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,327 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,327 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:58,327 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,327 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,328 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,329 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,330 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,330 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:58,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:58,330 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:58,345 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,346 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,346 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:58,346 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,346 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,346 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,348 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,348 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,348 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:58,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:58,348 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,364 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,364 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,364 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:58,364 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,365 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,365 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,367 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,367 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,367 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:58,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:58,367 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,383 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,384 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,384 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:58,384 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,384 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,384 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,386 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,386 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,386 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:58,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:58,386 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:58,403 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,403 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,403 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:58,403 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,403 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,403 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,405 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,405 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,405 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:58,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:58,405 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:58,421 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,422 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,422 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:58,422 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,422 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,422 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,424 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,424 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,424 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:58,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:58,424 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:58,440 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,440 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,440 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:58,440 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,440 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,440 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,442 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,442 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:58,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:58,442 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:58,458 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,459 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,459 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:58,459 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,459 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,459 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,461 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,461 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,461 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:58,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:58,461 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:58,477 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,477 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,477 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:58,477 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,477 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,477 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,479 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,479 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,479 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:58,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:58,479 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:58,496 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,496 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,496 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:58,496 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,497 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,497 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,498 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,498 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,499 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:58,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:58,499 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,515 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,515 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,515 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:58,515 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,515 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,515 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,517 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,517 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:58,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:58,518 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:58,534 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,534 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,534 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:58,535 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:58,535 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:58,535 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,535 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:58,535 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,535 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,535 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,537 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,537 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,537 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:58,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:58,537 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:58,554 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,554 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,554 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:58,554 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,554 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,554 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,556 - INFO - number of orbitals:  108
+2024-12-09 10:29:58,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,557 - INFO - moving on ...
+2024-12-09 10:29:58,557 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:58,557 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:58,557 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:58,557 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,557 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:58,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,558 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,558 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,558 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:58,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:58,558 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:58,574 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,574 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,575 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:58,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:58,575 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,575 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:58,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,576 - INFO - number of orbitals:  135
+2024-12-09 10:29:58,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,576 - INFO - moving on ...
+2024-12-09 10:29:58,576 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:58,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,578 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,578 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,578 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:29:58,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:29:58,578 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:29:58,595 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,595 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,595 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:29:58,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:29:58,595 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,595 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:58,596 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:58,596 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:58,596 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,596 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:58,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,597 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,597 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,597 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:58,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:58,597 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:58,613 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,614 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,614 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:58,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:58,614 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,614 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:58,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,616 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,616 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,616 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:29:58,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:29:58,616 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:29:58,632 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,633 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,633 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:29:58,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:29:58,633 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,633 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:58,633 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:58,633 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:58,633 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,633 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:58,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,635 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:58,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:58,635 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:58,651 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,652 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,652 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:58,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:58,652 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,652 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:58,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,654 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,654 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,654 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:29:58,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:29:58,654 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:29:58,670 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,670 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,670 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:29:58,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:29:58,671 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,671 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:58,671 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:58,671 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:58,671 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,671 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:58,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,672 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,672 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,672 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:58,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:58,673 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:58,689 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,689 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,689 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:58,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:58,690 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,690 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:58,690 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:58,690 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:58,690 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,690 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:58,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,692 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,692 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,692 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:58,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:58,692 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:58,709 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,710 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,710 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:58,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:58,710 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,710 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:58,710 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:58,710 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:58,710 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,710 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:58,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,712 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,712 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,712 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:58,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:58,712 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:58,729 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,729 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,729 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:58,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:58,729 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,729 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:58,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,731 - INFO - number of orbitals:  118
+2024-12-09 10:29:58,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,731 - INFO - moving on ...
+2024-12-09 10:29:58,731 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:58,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,732 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,732 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,732 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:58,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:58,732 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:58,748 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,749 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,749 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:58,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:58,749 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,749 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:58,749 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:58,749 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:58,749 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,749 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:58,749 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,750 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,750 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,752 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,752 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,752 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:58,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:58,752 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,768 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,769 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,769 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:58,769 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,769 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,769 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,771 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,771 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,771 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:58,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:58,771 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:58,788 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,788 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,788 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:58,788 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,788 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,788 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,790 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,791 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,791 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:58,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:58,791 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:58,807 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,808 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,808 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:58,808 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,808 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,808 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,810 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,810 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,810 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:58,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:58,810 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,827 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,827 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,827 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:58,827 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,827 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,827 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,829 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,829 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,829 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:58,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:58,830 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:58,846 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,846 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,846 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:58,846 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,847 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,847 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,849 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,849 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,849 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:58,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:58,849 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:58,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,866 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,866 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:58,867 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,867 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,867 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,869 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,869 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,869 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:58,870 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:58,870 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:58,887 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,887 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,887 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:58,887 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,887 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,888 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,890 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,890 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:58,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:58,890 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:58,906 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,907 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,907 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:58,907 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:58,907 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:58,907 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,907 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:58,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,909 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,909 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,909 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:58,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:58,909 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:58,925 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,925 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,926 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:58,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:58,926 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,926 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:58,926 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:58,926 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:58,926 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,926 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:58,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,928 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,928 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:58,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:58,928 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:58,944 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,944 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,945 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:58,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:58,945 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,945 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:58,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,946 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,946 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,946 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:58,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:58,946 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:58,962 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,963 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,963 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:58,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:58,963 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,963 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:58,963 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:58,963 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:58,963 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,963 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:58,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,965 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,965 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:58,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:58,965 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:58,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,981 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,981 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:58,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:58,981 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,981 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:58,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,983 - INFO - number of orbitals:  119
+2024-12-09 10:29:58,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,983 - INFO - moving on ...
+2024-12-09 10:29:58,983 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:58,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,984 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,984 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:58,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:58,984 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:59,001 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,001 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,001 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:59,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:59,002 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,002 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:59,002 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:59,002 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:59,002 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,002 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:59,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,003 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,003 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,003 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:59,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:59,004 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:59,020 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,020 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,021 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:59,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:59,021 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,021 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:59,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,022 - INFO - number of orbitals:  135
+2024-12-09 10:29:59,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,022 - INFO - moving on ...
+2024-12-09 10:29:59,022 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:59,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,024 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,024 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,024 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:29:59,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:29:59,024 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:29:59,040 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,041 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,041 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:29:59,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:29:59,041 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,041 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:59,041 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:59,041 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:59,041 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,041 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:59,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,043 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,043 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,043 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:59,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:59,043 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:59,060 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,061 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,061 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:59,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:59,061 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,061 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:59,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,062 - INFO - number of orbitals:  118
+2024-12-09 10:29:59,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,063 - INFO - moving on ...
+2024-12-09 10:29:59,063 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:59,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,064 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,064 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:59,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:59,064 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:59,082 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,082 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,083 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:59,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:59,083 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,083 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:59,083 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:59,083 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:59,083 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,083 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:59,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,085 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,085 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:59,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:59,085 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:59,101 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,102 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,102 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:59,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:59,102 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,102 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:59,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,104 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,104 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:29:59,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:29:59,104 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:29:59,121 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,122 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,122 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:29:59,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:29:59,122 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,122 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:59,122 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:59,122 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:59,122 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,122 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:59,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,124 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,124 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,124 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:59,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:59,124 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:59,140 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,141 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,141 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:59,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:59,141 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,141 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:59,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,143 - INFO - number of orbitals:  110
+2024-12-09 10:29:59,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,143 - INFO - moving on ...
+2024-12-09 10:29:59,143 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:59,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,145 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,145 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,145 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:59,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:59,145 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:59,162 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,162 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,162 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:59,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:59,163 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,163 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:59,163 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:59,163 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:59,163 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,163 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:59,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,165 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,165 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:59,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:59,165 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:59,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,183 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,183 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:59,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:59,183 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,183 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:59,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,185 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,185 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,185 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 10:29:59,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 10:29:59,185 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 10:29:59,201 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,202 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,202 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 10:29:59,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 10:29:59,202 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,202 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:59,202 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:59,202 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:59,202 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,202 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:59,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,204 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,204 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:59,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:59,204 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:59,221 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,221 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,221 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:59,221 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:59,221 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:59,221 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,222 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:59,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,223 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,223 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:59,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:59,223 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:59,240 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,240 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,240 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:59,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:59,240 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,240 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:59,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,242 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,242 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 10:29:59,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 10:29:59,242 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 10:29:59,258 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,259 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,259 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 10:29:59,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 10:29:59,259 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,259 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:59,259 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:59,259 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:59,259 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,259 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:59,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,261 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,261 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,261 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:59,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:59,261 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:59,279 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,279 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,279 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:59,279 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:59,280 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:59,280 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,280 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:59,280 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,280 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,280 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,282 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,282 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,282 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:59,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:59,282 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:59,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,299 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,300 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:59,300 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,300 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,300 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,302 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,302 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,302 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:59,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:59,302 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:59,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,319 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,319 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:59,320 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,320 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,320 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,322 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,322 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,322 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:59,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:59,322 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:59,338 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,338 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,338 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:59,339 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,339 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,339 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,341 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,341 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,341 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:59,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:59,341 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:59,358 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,358 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,358 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:59,359 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:59,359 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:59,359 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,359 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:59,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,360 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,360 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,360 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:59,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:59,361 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:59,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,377 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,378 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:59,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:59,378 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,378 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:59,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,379 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,379 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,379 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:29:59,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:29:59,380 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:29:59,396 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,397 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,397 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:29:59,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:29:59,397 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,397 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:59,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,398 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,398 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,398 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:59,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:59,399 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:59,415 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,416 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,416 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:59,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:59,416 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,416 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:59,416 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:59,416 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:59,416 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,416 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:59,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,418 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,418 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,418 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:59,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:59,418 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:59,434 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,435 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,435 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:59,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:59,435 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,435 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:59,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,437 - INFO - number of orbitals:  110
+2024-12-09 10:29:59,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,437 - INFO - moving on ...
+2024-12-09 10:29:59,437 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:59,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,438 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,438 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,438 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:59,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:59,438 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:59,456 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,457 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,457 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:59,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:59,457 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,457 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:59,458 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:59,458 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:59,458 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,458 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:59,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,460 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,460 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,460 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:59,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:59,460 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:59,478 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,478 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,478 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:59,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:59,478 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,478 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:59,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,480 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,480 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,480 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:29:59,480 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:29:59,480 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:29:59,496 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,497 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,497 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:29:59,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:29:59,497 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,497 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:59,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,499 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,499 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,499 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:59,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:59,499 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:59,514 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,515 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,515 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:59,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:59,515 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,515 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:59,515 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:59,515 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:59,515 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,515 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:59,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,517 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,517 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:59,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:59,517 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:59,533 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,533 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,533 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:59,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:59,534 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,534 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:59,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,535 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,535 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 10:29:59,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 10:29:59,535 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 10:29:59,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,551 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,552 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 10:29:59,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 10:29:59,552 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,552 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:59,552 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:59,552 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:59,552 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,552 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:59,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,553 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,553 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,554 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:59,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:59,554 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:59,570 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,570 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,570 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:59,571 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:59,571 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:59,571 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,571 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:59,571 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,571 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,571 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,573 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,573 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:59,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:59,573 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:59,590 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,590 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,590 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:59,590 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,591 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,591 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,593 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,593 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:59,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:59,593 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:59,609 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,610 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,610 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:59,610 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,610 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,610 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,612 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:59,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:59,612 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:59,629 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,629 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,629 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:59,630 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,630 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,630 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,632 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,632 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,632 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:59,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:59,632 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:59,648 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,649 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,649 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:59,649 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,649 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,649 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,651 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,651 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,651 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:59,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:59,651 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:59,667 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,668 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,668 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:59,668 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,668 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,668 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,670 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,670 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,670 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:59,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:59,670 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:59,686 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,686 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,686 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:59,686 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,686 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,686 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,688 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,688 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,688 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:59,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:59,689 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:59,704 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,705 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,705 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:59,705 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,705 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,705 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,707 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,707 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,707 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:59,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:59,707 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:59,723 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,724 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,724 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:59,724 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,724 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,724 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,726 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,726 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,726 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:59,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:59,726 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:59,742 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,743 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,743 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:59,743 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:59,743 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:59,743 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,743 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:59,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,745 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,745 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,745 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:59,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:59,745 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:59,761 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,762 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,762 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:59,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:59,762 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,762 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:59,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,763 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,763 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,763 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 10:29:59,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 10:29:59,764 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 10:29:59,779 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,780 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,780 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 10:29:59,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 10:29:59,780 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,780 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:59,780 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:59,780 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:59,780 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,781 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:59,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,782 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,782 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,782 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:59,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:59,782 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:59,799 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,799 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,800 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:59,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:59,800 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,800 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:59,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,801 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,801 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,801 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:59,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:59,801 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:59,817 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,818 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,818 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:59,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:59,818 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,818 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:59,818 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:59,818 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:59,818 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,818 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:59,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,819 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,820 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,820 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:59,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:59,820 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:59,835 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,835 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,835 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:59,835 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:59,836 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:59,836 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,836 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:59,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,837 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,837 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,838 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:59,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:59,838 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:59,854 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,854 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,854 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:59,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:59,855 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,855 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:59,855 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:59,855 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:59,855 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,855 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:59,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,856 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,856 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,856 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:59,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:59,857 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:59,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,873 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,873 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:59,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:59,873 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,873 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:59,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,875 - INFO - number of orbitals:  116
+2024-12-09 10:29:59,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,875 - INFO - moving on ...
+2024-12-09 10:29:59,875 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:59,875 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:59,875 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:59,875 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,875 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:59,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,877 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,877 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,877 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:59,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:59,877 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:59,893 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,893 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,893 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:59,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:59,894 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,894 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:59,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,895 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,895 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,895 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:59,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:59,895 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:59,911 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,911 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,912 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:59,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:59,912 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,912 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:59,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,913 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,913 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:59,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:59,913 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:59,931 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,931 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,931 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:59,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:59,931 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,931 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:59,931 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:59,932 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:59,932 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,932 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:59,932 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,932 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,932 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,934 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,934 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,934 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:59,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:59,934 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:59,951 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,951 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,951 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:59,951 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,953 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,954 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,954 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:59,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:59,954 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:59,970 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,970 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,970 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:59,970 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,970 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,970 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,972 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,972 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:59,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:59,973 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:59,988 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,989 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,989 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:59,989 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,989 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,989 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,991 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,991 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,991 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:59,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:59,991 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:30:00,009 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,009 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,010 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:30:00,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,013 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,013 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:30:00,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:30:00,013 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:30:00,030 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,031 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,031 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:30:00,031 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,031 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,031 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,033 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,033 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,033 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:30:00,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:30:00,033 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:30:00,049 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,050 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,050 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:30:00,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,050 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,050 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,052 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,052 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,052 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:30:00,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:30:00,052 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:30:00,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,069 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,069 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:30:00,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,072 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,072 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:30:00,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:30:00,072 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:30:00,089 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,089 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,089 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:30:00,089 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,089 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,089 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,091 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,091 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:30:00,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:30:00,091 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:30:00,108 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,108 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,108 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:30:00,108 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,109 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,109 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,111 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,111 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,111 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:30:00,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:30:00,111 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:30:00,127 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,127 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,127 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:30:00,127 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,128 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,129 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,129 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:30:00,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:30:00,130 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:30:00,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,146 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,146 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:30:00,146 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,146 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,146 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,148 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,148 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:30:00,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:30:00,148 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:30:00,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,165 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,165 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:30:00,166 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:30:00,166 - INFO - problem_instance short name: be_0
+2024-12-09 10:30:00,166 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,166 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:30:00,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,168 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,168 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:30:00,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:30:00,168 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:30:00,185 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,186 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,186 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:30:00,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:30:00,186 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,186 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:30:00,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,188 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,188 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,188 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:30:00,188 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:30:00,188 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:30:00,205 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,205 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,205 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:30:00,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:30:00,206 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,206 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:30:00,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,207 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,207 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:30:00,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:30:00,207 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:30:00,224 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,224 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,225 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:30:00,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:30:00,225 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,225 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:30:00,225 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:30:00,225 - INFO - problem_instance short name: f2_0
+2024-12-09 10:30:00,225 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,225 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:30:00,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,227 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,227 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:30:00,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:30:00,227 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:30:00,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,243 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,244 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:30:00,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:30:00,244 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,244 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:30:00,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,245 - INFO - number of orbitals:  110
+2024-12-09 10:30:00,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,245 - INFO - moving on ...
+2024-12-09 10:30:00,245 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:30:00,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,247 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,247 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,247 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:30:00,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:30:00,247 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:30:00,263 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,264 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,264 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:30:00,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:30:00,264 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,264 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:30:00,264 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:30:00,264 - INFO - problem_instance short name: n2_0
+2024-12-09 10:30:00,264 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,264 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:30:00,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,266 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,266 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:30:00,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:30:00,266 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:30:00,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,283 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,283 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:30:00,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:30:00,283 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,283 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:30:00,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,284 - INFO - number of orbitals:  110
+2024-12-09 10:30:00,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,285 - INFO - moving on ...
+2024-12-09 10:30:00,285 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:30:00,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,286 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,286 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,286 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:30:00,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:30:00,286 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:30:00,304 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,305 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,305 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:30:00,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:30:00,305 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,305 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:30:00,305 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:30:00,305 - INFO - problem_instance short name: fe_red
+2024-12-09 10:30:00,305 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,305 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:30:00,305 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,306 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,306 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,307 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,308 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,308 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:30:00,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:30:00,308 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:30:00,324 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,324 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,324 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:30:00,325 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,325 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,325 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,327 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,327 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,327 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:30:00,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:30:00,327 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:30:00,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,343 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,343 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:30:00,344 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,344 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,344 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,346 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,346 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,346 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:30:00,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:30:00,346 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:30:00,362 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,363 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,363 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:30:00,363 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,363 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,363 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,365 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,365 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,365 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:30:00,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:30:00,365 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:30:00,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,381 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,382 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:30:00,382 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,382 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,382 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,384 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,384 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,384 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:30:00,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:30:00,384 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:30:00,401 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,401 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,401 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:30:00,401 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,401 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,401 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,403 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,403 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,403 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:30:00,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:30:00,404 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:30:00,420 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,420 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,421 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:30:00,421 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,421 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,421 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,423 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,423 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,423 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:30:00,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:30:00,423 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:30:00,439 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,440 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,440 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:30:00,440 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,440 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,440 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,443 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,443 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:30:00,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:30:00,443 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:30:00,460 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,461 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,461 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:30:00,461 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,461 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,461 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,463 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,463 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,463 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:30:00,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:30:00,464 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:30:00,481 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,481 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,481 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:30:00,481 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:30:00,481 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:30:00,481 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,481 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:30:00,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,483 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,483 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,483 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:30:00,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:30:00,483 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:30:00,499 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,500 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,500 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:30:00,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:30:00,500 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,500 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:30:00,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,502 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,502 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-09 10:30:00,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-09 10:30:00,502 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-09 10:30:00,517 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,518 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,518 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-09 10:30:00,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-09 10:30:00,518 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,518 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:30:00,518 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:30:00,518 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:30:00,518 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,518 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:30:00,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,520 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,520 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,520 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:30:00,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:30:00,520 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:30:00,537 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,537 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,538 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:30:00,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:30:00,538 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,538 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:30:00,538 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:30:00,538 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:30:00,538 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,538 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:30:00,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,540 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,540 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,540 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:30:00,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:30:00,540 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:30:00,557 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,557 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,557 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:30:00,558 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:30:00,558 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:30:00,558 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,558 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:30:00,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,559 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,559 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,559 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:30:00,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:30:00,559 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:30:00,576 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,576 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,577 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:30:00,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:30:00,577 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,577 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:30:00,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,579 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,579 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,579 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:30:00,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:30:00,579 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:30:00,598 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,599 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,599 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:30:00,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:30:00,599 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,599 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:30:00,599 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:30:00,599 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:30:00,599 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,599 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:30:00,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,601 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,601 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,601 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:30:00,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:30:00,601 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:30:00,618 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,618 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,619 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:30:00,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:30:00,619 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,619 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:30:00,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,620 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,620 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,620 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-09 10:30:00,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-09 10:30:00,621 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-09 10:30:00,637 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,637 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,637 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-09 10:30:00,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-09 10:30:00,637 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,637 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:30:00,637 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:30:00,637 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:30:00,638 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,638 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:30:00,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,639 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,639 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,639 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:30:00,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:30:00,639 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:30:00,655 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,656 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,656 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:30:00,656 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:30:00,656 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:30:00,656 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,656 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:30:00,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,658 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,658 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,658 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:30:00,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:30:00,658 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:30:00,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,675 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,675 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:30:00,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:30:00,675 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,675 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:30:00,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,677 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,677 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,677 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-09 10:30:00,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-09 10:30:00,677 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-09 10:30:00,695 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,696 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,696 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-09 10:30:00,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-09 10:30:00,696 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,696 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:30:00,696 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:30:00,696 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:30:00,696 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,696 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:30:00,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,698 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,698 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,698 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:30:00,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:30:00,698 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:30:00,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,715 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,715 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:30:00,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:30:00,715 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,715 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:30:00,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,717 - INFO - number of orbitals:  106
+2024-12-09 10:30:00,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,717 - INFO - moving on ...
+2024-12-09 10:30:00,717 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:30:00,717 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:30:00,717 - INFO - problem_instance short name: p2_0
+2024-12-09 10:30:00,717 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,717 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:30:00,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,719 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,719 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,719 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:30:00,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:30:00,719 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:30:00,736 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,736 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,736 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:30:00,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:30:00,736 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,736 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:30:00,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,738 - INFO - number of orbitals:  118
+2024-12-09 10:30:00,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,738 - INFO - moving on ...
+2024-12-09 10:30:00,738 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:30:00,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,739 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,740 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,740 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:30:00,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:30:00,740 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:30:00,756 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,757 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,757 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:30:00,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:30:00,757 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,757 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:30:00,757 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:30:00,757 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:30:00,757 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,758 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:30:00,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,759 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,759 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,759 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:30:00,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:30:00,759 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:30:00,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,776 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,777 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:30:00,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:30:00,777 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,777 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:30:00,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,778 - INFO - number of orbitals:  114
+2024-12-09 10:30:00,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,778 - INFO - moving on ...
+2024-12-09 10:30:00,779 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:30:00,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,780 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,780 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,780 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:30:00,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:30:00,780 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:30:00,797 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,798 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,798 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:30:00,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:30:00,798 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,798 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:30:00,798 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:30:00,798 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:30:00,798 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,798 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:30:00,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,800 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,800 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,800 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:30:00,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:30:00,800 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:30:00,817 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,818 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,818 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:30:00,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:30:00,818 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,818 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:30:00,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,820 - INFO - number of orbitals:  115
+2024-12-09 10:30:00,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,820 - INFO - moving on ...
+2024-12-09 10:30:00,820 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:30:00,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,822 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,822 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:30:00,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:30:00,822 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:30:00,839 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,839 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,839 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:30:00,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:30:00,839 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,839 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:30:00,839 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:30:00,839 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:30:00,839 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,840 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:30:00,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,841 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,841 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:30:00,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:30:00,841 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:30:00,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,858 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,858 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:30:00,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:30:00,858 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,858 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:30:00,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,860 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,860 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,860 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:30:00,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:30:00,860 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:30:00,876 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,877 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,877 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:30:00,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:30:00,877 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,877 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:30:00,877 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:30:00,877 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:30:00,877 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,877 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:30:00,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,879 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,879 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,879 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:30:00,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:30:00,879 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:30:00,896 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,896 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,896 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:30:00,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:30:00,896 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,896 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:30:00,897 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:30:00,897 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:30:00,897 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,897 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:30:00,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,898 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,898 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:30:00,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:30:00,898 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:30:00,915 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,915 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,916 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:30:00,916 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:30:00,916 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:30:00,916 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,916 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:30:00,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,917 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,918 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,918 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:30:00,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:30:00,918 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:30:00,934 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,934 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,935 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:30:00,935 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:30:00,935 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,935 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:30:00,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,936 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,936 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,936 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
+2024-12-09 10:30:00,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
+2024-12-09 10:30:00,936 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
+2024-12-09 10:30:00,953 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,953 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,953 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
+2024-12-09 10:30:00,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
+2024-12-09 10:30:00,954 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,954 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:30:00,954 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:30:00,954 - INFO - problem_instance short name: V_1
+2024-12-09 10:30:00,954 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,954 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:30:00,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,955 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,955 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,955 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:30:00,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:30:00,956 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:30:00,971 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,972 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,972 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:30:00,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:30:00,972 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,972 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:30:00,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,974 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,974 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,974 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
+2024-12-09 10:30:00,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
+2024-12-09 10:30:00,974 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
+2024-12-09 10:30:00,990 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,990 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,990 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
+2024-12-09 10:30:00,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
+2024-12-09 10:30:00,990 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,990 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:30:00,991 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:30:00,991 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:30:00,991 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,991 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:30:00,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,992 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,992 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,992 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:30:00,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:30:00,992 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:30:01,008 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,009 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,009 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:30:01,009 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:30:01,009 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:30:01,009 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,009 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:30:01,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,011 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,011 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,011 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:30:01,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:30:01,011 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:30:01,028 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,029 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,029 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:30:01,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:30:01,029 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,029 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:30:01,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,031 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,031 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
+2024-12-09 10:30:01,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
+2024-12-09 10:30:01,031 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
+2024-12-09 10:30:01,047 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,048 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,048 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
+2024-12-09 10:30:01,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
+2024-12-09 10:30:01,048 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,048 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:30:01,048 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:30:01,048 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:30:01,048 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,048 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:30:01,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,050 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,050 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,050 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:30:01,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:30:01,050 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:30:01,066 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,066 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,066 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:30:01,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:30:01,066 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,066 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:30:01,067 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:30:01,067 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:30:01,067 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,067 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:30:01,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,068 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,068 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:30:01,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:30:01,068 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:30:01,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,084 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,084 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:30:01,084 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:30:01,084 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:30:01,084 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,084 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:30:01,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,086 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,086 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:30:01,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:30:01,086 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:30:01,102 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,102 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,102 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:30:01,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:30:01,103 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,103 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:30:01,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,104 - INFO - number of orbitals:  116
+2024-12-09 10:30:01,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,104 - INFO - moving on ...
+2024-12-09 10:30:01,104 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:30:01,104 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:30:01,104 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:30:01,105 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,105 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:30:01,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,106 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,106 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,106 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:30:01,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:30:01,106 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:30:01,122 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,122 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,122 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:30:01,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:30:01,122 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,122 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:30:01,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,124 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,124 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,124 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
+2024-12-09 10:30:01,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
+2024-12-09 10:30:01,124 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
+2024-12-09 10:30:01,141 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,142 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,142 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
+2024-12-09 10:30:01,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
+2024-12-09 10:30:01,142 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,142 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:30:01,142 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:30:01,142 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:30:01,142 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,143 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:30:01,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,144 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,144 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,144 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:30:01,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:30:01,144 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:30:01,161 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,162 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,162 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:30:01,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:30:01,162 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,162 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:30:01,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,164 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,164 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,164 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
+2024-12-09 10:30:01,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
+2024-12-09 10:30:01,164 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
+2024-12-09 10:30:01,181 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,181 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,181 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
+2024-12-09 10:30:01,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
+2024-12-09 10:30:01,181 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,181 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:30:01,182 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:30:01,182 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:30:01,182 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,182 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:30:01,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,183 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,183 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,183 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:30:01,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:30:01,184 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:30:01,200 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,201 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,201 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:30:01,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:30:01,201 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,201 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:30:01,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,203 - INFO - number of orbitals:  110
+2024-12-09 10:30:01,203 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,203 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,203 - INFO - moving on ...
+2024-12-09 10:30:01,203 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:30:01,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,205 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,205 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:30:01,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:30:01,205 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:30:01,221 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,221 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,221 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:30:01,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:30:01,221 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,222 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:30:01,222 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:30:01,222 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:30:01,222 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,222 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:30:01,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,223 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,223 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:30:01,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:30:01,223 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:30:01,240 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,240 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,240 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:30:01,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:30:01,240 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,240 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:30:01,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,242 - INFO - number of orbitals:  135
+2024-12-09 10:30:01,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,242 - INFO - moving on ...
+2024-12-09 10:30:01,242 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:30:01,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,243 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,243 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,243 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
+2024-12-09 10:30:01,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
+2024-12-09 10:30:01,243 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
+2024-12-09 10:30:01,260 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,260 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,260 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
+2024-12-09 10:30:01,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
+2024-12-09 10:30:01,260 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,261 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:30:01,261 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:30:01,261 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:30:01,261 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,261 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:30:01,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,262 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,262 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,263 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:30:01,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:30:01,263 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:30:01,279 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,279 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,280 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:30:01,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:30:01,280 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,280 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:30:01,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,281 - INFO - number of orbitals:  119
+2024-12-09 10:30:01,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,281 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,281 - INFO - moving on ...
+2024-12-09 10:30:01,281 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:30:01,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,283 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,283 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,283 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:30:01,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:30:01,283 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:30:01,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,300 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,300 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:30:01,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:30:01,300 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,300 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:30:01,300 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:30:01,300 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:30:01,300 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,300 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:30:01,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,302 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,302 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,302 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:30:01,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:30:01,302 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:30:01,318 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,319 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,319 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:30:01,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:30:01,319 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,319 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:30:01,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,321 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,321 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,321 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:30:01,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:30:01,321 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:30:01,337 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,338 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,338 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:30:01,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:30:01,338 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,338 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:30:01,338 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:30:01,338 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:30:01,338 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,338 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:30:01,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,340 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,340 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,340 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:30:01,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:30:01,340 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:30:01,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,357 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,357 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:30:01,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:30:01,357 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,357 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:30:01,358 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:30:01,358 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:30:01,358 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,358 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:30:01,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,359 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,359 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,359 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:30:01,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:30:01,360 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:30:01,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,381 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,382 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:30:01,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:30:01,382 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,382 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:30:01,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,383 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,384 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,384 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
+2024-12-09 10:30:01,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
+2024-12-09 10:30:01,384 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
+2024-12-09 10:30:01,404 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,405 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,405 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
+2024-12-09 10:30:01,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
+2024-12-09 10:30:01,405 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,405 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:30:01,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,407 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,407 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,407 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:30:01,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:30:01,407 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:30:01,427 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,428 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,428 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:30:01,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:30:01,428 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,428 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:30:01,428 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:30:01,428 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:30:01,429 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,429 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:30:01,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,431 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,431 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:30:01,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:30:01,431 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:30:01,451 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,452 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,452 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:30:01,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:30:01,452 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,452 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:30:01,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,454 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,454 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,454 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
+2024-12-09 10:30:01,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
+2024-12-09 10:30:01,454 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
+2024-12-09 10:30:01,474 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,475 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,475 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
+2024-12-09 10:30:01,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
+2024-12-09 10:30:01,475 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,475 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:30:01,475 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:30:01,475 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:30:01,475 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,475 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:30:01,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,477 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,477 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,477 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:30:01,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:30:01,477 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:30:01,495 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,495 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,495 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:30:01,496 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:30:01,496 - INFO - problem_instance short name: O_0
+2024-12-09 10:30:01,496 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,496 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:30:01,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,497 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,497 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,497 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:30:01,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:30:01,497 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:30:01,513 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,513 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,514 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:30:01,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:30:01,514 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,514 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:30:01,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,516 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,516 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,516 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:30:01,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:30:01,516 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:30:01,532 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,533 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,533 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:30:01,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:30:01,533 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,533 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:30:01,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,534 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,535 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:30:01,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:30:01,535 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:30:01,550 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,551 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,551 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:30:01,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:30:01,551 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,551 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:30:01,551 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:30:01,551 - INFO - problem_instance short name: ozone
+2024-12-09 10:30:01,551 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,551 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:30:01,551 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,552 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,552 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,554 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,554 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,554 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:30:01,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:30:01,554 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:30:01,570 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,571 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,571 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:30:01,571 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,571 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,571 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,573 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,573 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:30:01,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:30:01,573 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:30:01,590 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,590 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,591 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:30:01,591 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,591 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,591 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,593 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,593 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,593 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
+2024-12-09 10:30:01,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
+2024-12-09 10:30:01,593 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
+2024-12-09 10:30:01,610 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,610 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,610 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:30:01,610 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,611 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,611 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,613 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,613 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,613 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:30:01,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:30:01,613 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:30:01,631 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,631 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,631 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:30:01,632 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,632 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,632 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,634 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,635 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,635 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:30:01,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:30:01,635 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:30:01,654 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,654 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,654 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:30:01,654 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,655 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,655 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,657 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,657 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,657 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
+2024-12-09 10:30:01,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
+2024-12-09 10:30:01,657 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
+2024-12-09 10:30:01,673 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,674 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,674 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:30:01,674 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:30:01,674 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:30:01,674 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,674 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:30:01,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,676 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,676 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,676 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:30:01,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:30:01,676 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:30:01,692 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,693 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,693 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:30:01,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:30:01,693 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,693 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:30:01,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,694 - INFO - number of orbitals:  115
+2024-12-09 10:30:01,695 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,695 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,695 - INFO - moving on ...
+2024-12-09 10:30:01,695 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:30:01,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,696 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,696 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,696 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:30:01,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:30:01,696 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:30:01,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,713 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,713 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:30:01,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:30:01,713 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,713 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:30:01,714 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:30:01,714 - INFO - problem_instance short name: VO_0
+2024-12-09 10:30:01,714 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,714 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:30:01,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,715 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,715 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:30:01,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:30:01,716 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:30:01,733 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,733 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,733 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:30:01,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:30:01,733 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,733 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:30:01,734 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:30:01,734 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:30:01,734 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,734 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:30:01,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,735 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,735 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,735 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:30:01,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:30:01,735 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:30:01,752 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,754 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,754 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:30:01,754 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:30:01,754 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:30:01,754 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,754 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:30:01,755 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,757 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,757 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,757 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:30:01,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:30:01,757 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:30:01,773 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,774 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,774 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:30:01,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,774 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,774 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,776 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,776 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,776 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:30:01,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:30:01,776 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:30:01,793 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,793 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,793 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:30:01,793 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,794 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,794 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,796 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,796 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,796 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:30:01,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:30:01,796 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:30:01,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,813 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,814 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:30:01,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,816 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,816 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:30:01,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:30:01,816 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:30:01,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,833 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,833 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:30:01,833 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,833 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,833 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,835 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,835 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:30:01,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:30:01,835 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:30:01,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,853 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,853 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:30:01,853 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,855 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,855 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:30:01,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:30:01,855 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:30:01,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,872 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,872 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:30:01,873 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:30:01,873 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:30:01,873 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,873 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:30:01,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,875 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,875 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:30:01,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:30:01,875 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:30:01,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,892 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,892 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:30:01,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,894 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,894 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:30:01,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:30:01,894 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:30:01,911 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,912 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,912 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:30:01,912 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,912 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,912 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,914 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,914 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,914 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:30:01,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:30:01,914 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:30:01,930 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,930 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,930 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:30:01,931 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:30:01,931 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:30:01,931 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,931 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:30:01,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,932 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,932 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:30:01,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:30:01,932 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:30:01,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,949 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,949 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:30:01,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:30:01,950 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,950 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:30:01,950 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:30:01,950 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:30:01,950 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,950 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:30:01,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,953 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,953 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:30:01,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:30:01,953 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:30:01,969 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,970 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,970 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:30:01,970 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,970 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,970 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,972 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,972 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:30:01,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:30:01,973 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:30:01,989 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,990 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,990 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:30:01,990 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,990 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,990 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,992 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,992 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,992 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:30:01,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:30:01,992 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:30:02,009 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,009 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,009 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:30:02,009 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,012 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,012 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,012 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:30:02,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:30:02,012 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:30:02,030 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,030 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,030 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:30:02,030 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,030 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,030 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,032 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,033 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,033 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:30:02,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:30:02,033 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:30:02,050 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,050 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,050 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:30:02,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,051 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,051 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,053 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,053 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:30:02,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:30:02,053 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:30:02,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,069 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,069 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:30:02,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,072 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,072 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:30:02,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:30:02,072 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:30:02,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,089 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,089 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:30:02,089 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,089 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,089 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,091 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,091 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:30:02,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:30:02,091 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:30:02,108 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,108 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,108 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:30:02,108 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,109 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,109 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,111 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,111 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,111 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:30:02,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:30:02,111 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:30:02,128 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,128 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,128 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:30:02,128 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,128 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,128 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,130 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,131 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,131 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:30:02,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:30:02,131 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:30:02,147 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,148 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,148 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:30:02,148 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,148 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,148 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,150 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,150 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,150 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:30:02,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:30:02,150 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:30:02,167 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,168 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,168 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:30:02,168 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,168 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,168 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,170 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,170 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:30:02,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:30:02,170 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:30:02,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,187 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,187 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:30:02,188 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,190 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,190 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:30:02,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:30:02,190 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:30:02,207 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,207 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,207 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:30:02,207 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,207 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,207 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,209 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,209 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,209 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:30:02,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:30:02,210 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:30:02,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,226 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,226 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:30:02,226 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,226 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,226 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,228 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,228 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,228 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:30:02,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:30:02,228 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:30:02,245 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,245 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,245 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:30:02,245 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,246 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,246 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,248 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,248 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,248 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:30:02,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:30:02,248 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:30:02,265 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,265 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,265 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:30:02,266 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:30:02,266 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:30:02,266 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,266 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:30:02,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,267 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,267 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,267 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:30:02,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:30:02,267 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:30:02,284 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,285 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,285 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:30:02,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:30:02,285 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,285 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:30:02,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,286 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,286 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,286 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
+2024-12-09 10:30:02,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
+2024-12-09 10:30:02,287 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
+2024-12-09 10:30:02,303 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,303 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,304 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
+2024-12-09 10:30:02,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
+2024-12-09 10:30:02,304 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,304 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:30:02,304 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:30:02,304 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:30:02,304 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,304 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:30:02,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,306 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,306 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,306 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:30:02,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:30:02,306 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:30:02,323 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,323 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,323 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:30:02,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:30:02,323 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,323 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:30:02,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,325 - INFO - number of orbitals:  118
+2024-12-09 10:30:02,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:02,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:02,325 - INFO - moving on ...
+2024-12-09 10:30:02,325 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:30:02,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,326 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,326 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,326 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:30:02,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:30:02,327 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:30:02,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,343 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,344 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:30:02,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:30:02,344 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,344 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:30:02,344 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:30:02,344 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:30:02,344 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,344 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:30:02,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,345 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,346 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,346 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:30:02,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:30:02,346 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:30:02,362 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,363 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,363 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:30:02,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:30:02,363 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,363 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:30:02,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,364 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,364 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,364 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:30:02,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:30:02,365 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:30:02,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,381 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,381 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:30:02,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:30:02,382 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,382 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:30:02,382 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:30:02,382 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:30:02,382 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,382 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:30:02,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,383 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,383 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,384 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:30:02,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:30:02,384 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,400 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,400 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,401 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:30:02,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:30:02,401 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,401 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:30:02,401 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:30:02,401 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:30:02,401 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,401 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:30:02,401 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,402 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,402 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,403 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,404 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,404 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:30:02,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:30:02,404 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:30:02,420 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,421 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,421 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:30:02,421 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,421 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,421 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,423 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,423 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,423 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:30:02,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:30:02,423 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:30:02,439 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,440 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,440 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:30:02,440 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,440 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,440 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,442 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,442 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:30:02,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:30:02,442 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,458 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,458 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,459 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:30:02,459 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,459 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,459 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,461 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,461 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,461 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:30:02,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:30:02,461 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,476 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,477 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,477 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:30:02,477 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,477 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,477 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,479 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,479 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,479 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:30:02,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:30:02,479 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:30:02,495 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,496 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,496 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:30:02,496 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,496 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,496 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,498 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,498 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,498 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:30:02,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:30:02,499 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:30:02,514 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,515 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,515 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:30:02,515 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,515 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,515 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,517 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,517 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:30:02,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:30:02,517 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:30:02,533 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,533 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,533 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:30:02,533 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,533 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,534 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,535 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,535 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,535 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:30:02,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:30:02,536 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:30:02,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,552 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,552 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:30:02,552 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,552 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,552 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,554 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,554 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,554 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:30:02,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:30:02,554 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:30:02,570 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,571 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,571 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:30:02,571 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,571 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,571 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,573 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,573 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:30:02,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:30:02,573 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:30:02,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,590 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,590 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:30:02,590 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,590 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,590 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,592 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,592 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:30:02,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:30:02,592 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,608 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,609 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,609 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:30:02,609 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,609 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,609 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,611 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,611 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,611 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:30:02,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:30:02,611 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:30:02,628 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,628 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,628 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:30:02,629 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:30:02,629 - INFO - problem_instance short name: benzene
+2024-12-09 10:30:02,629 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,629 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:30:02,629 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,629 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,629 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,631 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,631 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,631 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:30:02,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:30:02,631 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:30:02,647 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,648 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,648 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:30:02,648 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,648 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,650 - INFO - number of orbitals:  108
+2024-12-09 10:30:02,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:02,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:02,650 - INFO - moving on ...
+2024-12-09 10:30:02,650 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:30:02,650 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:30:02,650 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:30:02,651 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,651 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:30:02,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,652 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,652 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,652 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:30:02,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:30:02,652 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:30:02,669 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,669 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,669 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:30:02,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:30:02,670 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,670 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:30:02,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,671 - INFO - number of orbitals:  135
+2024-12-09 10:30:02,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:02,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:02,671 - INFO - moving on ...
+2024-12-09 10:30:02,671 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:30:02,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,673 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,673 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,673 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:30:02,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:30:02,673 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:30:02,689 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,690 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,690 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:30:02,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:30:02,690 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,690 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:30:02,690 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:30:02,690 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:30:02,690 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,690 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:30:02,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,692 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,692 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,692 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:30:02,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:30:02,692 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:30:02,708 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,709 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,709 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:30:02,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:30:02,709 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,709 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:30:02,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,711 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,711 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,711 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:30:02,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:30:02,711 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:30:02,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,728 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,728 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:30:02,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:30:02,728 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,728 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:30:02,728 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:30:02,728 - INFO - problem_instance short name: V_0
+2024-12-09 10:30:02,728 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,728 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:30:02,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,730 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,730 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,730 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:30:02,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:30:02,730 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:30:02,746 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,747 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,747 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:30:02,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:30:02,747 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,747 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:30:02,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,749 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,749 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,749 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:30:02,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:30:02,749 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:30:02,765 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,766 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,766 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:30:02,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:30:02,766 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,766 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:30:02,766 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:30:02,766 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:30:02,766 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,766 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:30:02,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,768 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,768 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,768 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:30:02,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:30:02,768 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:30:02,785 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,785 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,785 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:30:02,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:30:02,785 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,785 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:30:02,785 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:30:02,785 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:30:02,786 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,786 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:30:02,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,787 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,787 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,787 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:30:02,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:30:02,787 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:30:02,804 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,804 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,804 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:30:02,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:30:02,804 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,804 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:30:02,804 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:30:02,804 - INFO - problem_instance short name: na2_0
+2024-12-09 10:30:02,805 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,805 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:30:02,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,806 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,806 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,806 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:30:02,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:30:02,806 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:30:02,823 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,823 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,823 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:30:02,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:30:02,824 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,824 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:30:02,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,825 - INFO - number of orbitals:  118
+2024-12-09 10:30:02,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:02,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:02,825 - INFO - moving on ...
+2024-12-09 10:30:02,825 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:30:02,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,827 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,827 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,827 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:30:02,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:30:02,827 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:30:02,843 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,844 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,844 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:30:02,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:30:02,844 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,844 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:30:02,844 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:30:02,844 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:30:02,844 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,844 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:30:02,844 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,844 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,846 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,846 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,847 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:30:02,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:30:02,847 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,863 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,863 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,863 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:30:02,864 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,864 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,864 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,866 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,866 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,866 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:30:02,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:30:02,866 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:30:02,882 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,883 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,883 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:30:02,883 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,883 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,883 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,885 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,885 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,885 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:30:02,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:30:02,885 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:30:02,902 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,902 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,902 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:30:02,902 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,902 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,902 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,904 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,904 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,904 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:30:02,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:30:02,905 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,921 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,921 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,922 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:30:02,922 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,922 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,922 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,924 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,924 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,924 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:30:02,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:30:02,924 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:30:02,940 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,941 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,941 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:30:02,941 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,941 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,941 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,943 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,943 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,943 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:30:02,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:30:02,943 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:30:02,960 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,960 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,960 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:30:02,960 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,961 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,961 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,963 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,963 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,963 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:30:02,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:30:02,963 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:30:02,979 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,980 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,980 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:30:02,980 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,980 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,980 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,982 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,982 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,982 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:30:02,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:30:02,982 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:30:02,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,999 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,999 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:30:02,999 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:30:02,999 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:30:02,999 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,000 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:30:03,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,001 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,001 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,001 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:30:03,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:30:03,001 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:30:03,018 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,018 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,018 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:30:03,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:30:03,018 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,018 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:30:03,019 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:30:03,019 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:30:03,019 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,019 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:30:03,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,020 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,020 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,020 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:30:03,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:30:03,020 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:30:03,037 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,037 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,037 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:30:03,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:30:03,037 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,037 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:30:03,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,039 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,039 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,039 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:30:03,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:30:03,039 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:30:03,056 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,056 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,056 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:30:03,056 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:30:03,056 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,057 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:30:03,057 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:30:03,057 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:30:03,057 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,057 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:30:03,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,058 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,058 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,059 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:30:03,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:30:03,059 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:30:03,075 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,076 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,076 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:30:03,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:30:03,076 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,076 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:30:03,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,077 - INFO - number of orbitals:  119
+2024-12-09 10:30:03,077 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,077 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,078 - INFO - moving on ...
+2024-12-09 10:30:03,078 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:30:03,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,079 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,079 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:30:03,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:30:03,079 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:30:03,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,096 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,096 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:30:03,096 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:30:03,096 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,096 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:30:03,096 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:30:03,096 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:30:03,096 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,096 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:30:03,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,098 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,098 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:30:03,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:30:03,098 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:30:03,115 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,115 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,115 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:30:03,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:30:03,115 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,115 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:30:03,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,117 - INFO - number of orbitals:  135
+2024-12-09 10:30:03,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,117 - INFO - moving on ...
+2024-12-09 10:30:03,117 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:30:03,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,118 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,118 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,118 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:30:03,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:30:03,119 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:30:03,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,135 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,136 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:30:03,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:30:03,136 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,136 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:30:03,136 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:30:03,136 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:30:03,136 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,136 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:30:03,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,138 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,138 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,138 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:30:03,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:30:03,138 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:30:03,154 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,155 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,155 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:30:03,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:30:03,155 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,155 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:30:03,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,157 - INFO - number of orbitals:  118
+2024-12-09 10:30:03,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,157 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,157 - INFO - moving on ...
+2024-12-09 10:30:03,157 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:30:03,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,158 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,158 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,158 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:30:03,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:30:03,158 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:30:03,175 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,175 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,175 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:30:03,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:30:03,176 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,176 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:30:03,176 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:30:03,176 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:30:03,176 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,176 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:30:03,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,178 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,178 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,178 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:30:03,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:30:03,178 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:30:03,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,195 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,195 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:30:03,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:30:03,196 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,196 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:30:03,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,197 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,197 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,197 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:30:03,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:30:03,197 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:30:03,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,214 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,214 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:30:03,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:30:03,215 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,215 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:30:03,215 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:30:03,215 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:30:03,215 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,215 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:30:03,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,216 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,216 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:30:03,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:30:03,217 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:30:03,233 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,233 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,233 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:30:03,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:30:03,234 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,234 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:30:03,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,235 - INFO - number of orbitals:  110
+2024-12-09 10:30:03,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,235 - INFO - moving on ...
+2024-12-09 10:30:03,235 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:30:03,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,237 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,237 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:30:03,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:30:03,237 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:30:03,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,253 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,254 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:30:03,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:30:03,254 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,254 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:30:03,254 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:30:03,254 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:30:03,254 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,254 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:30:03,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,256 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,256 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:30:03,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:30:03,256 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:30:03,272 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,272 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,272 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:30:03,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:30:03,272 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,272 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:30:03,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,274 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,274 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,274 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 10:30:03,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 10:30:03,274 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 10:30:03,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,291 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,291 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 10:30:03,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 10:30:03,291 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,291 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:30:03,291 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:30:03,291 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:30:03,291 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,291 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:30:03,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,293 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,293 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:30:03,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:30:03,293 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:30:03,309 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,309 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,310 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:30:03,310 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:30:03,310 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:30:03,310 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,310 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:30:03,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,311 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,311 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:30:03,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:30:03,312 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:30:03,328 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,328 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,328 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:30:03,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:30:03,328 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,328 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:30:03,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,330 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,330 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,330 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 10:30:03,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 10:30:03,330 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 10:30:03,346 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,346 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,347 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 10:30:03,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 10:30:03,347 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,347 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:30:03,347 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:30:03,347 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:30:03,347 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,347 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:30:03,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,348 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,348 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,349 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:30:03,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:30:03,349 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:30:03,365 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,365 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,366 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:30:03,366 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:30:03,366 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:30:03,366 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,366 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:30:03,366 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,366 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,366 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,368 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,368 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,368 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:30:03,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:30:03,368 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:30:03,385 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,385 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,386 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:30:03,386 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,386 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,386 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,388 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,388 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,388 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:30:03,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:30:03,388 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:30:03,405 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,405 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,405 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:30:03,405 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,405 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,405 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,408 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,408 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,408 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:30:03,408 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:30:03,408 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:30:03,424 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,425 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,425 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:30:03,425 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,425 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,425 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,427 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,427 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,427 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:30:03,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:30:03,427 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:30:03,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,445 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,445 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:30:03,445 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:30:03,445 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:30:03,445 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,445 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:30:03,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,447 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,447 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,447 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:30:03,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:30:03,447 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:30:03,463 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,464 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,464 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:30:03,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:30:03,464 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,464 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:30:03,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,466 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,466 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,466 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:30:03,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:30:03,466 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:30:03,483 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,483 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,483 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:30:03,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:30:03,483 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,483 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:30:03,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,485 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,485 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:30:03,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:30:03,485 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:30:03,502 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,502 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,502 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:30:03,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:30:03,502 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,502 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:30:03,502 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:30:03,503 - INFO - problem_instance short name: li2_0
+2024-12-09 10:30:03,503 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,503 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:30:03,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,504 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,504 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,504 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:30:03,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:30:03,504 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:30:03,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,521 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,522 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:30:03,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:30:03,522 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,522 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:30:03,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,523 - INFO - number of orbitals:  110
+2024-12-09 10:30:03,523 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,523 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,523 - INFO - moving on ...
+2024-12-09 10:30:03,523 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:30:03,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,525 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,525 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,525 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:30:03,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:30:03,525 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:30:03,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,542 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,542 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:30:03,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:30:03,542 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,542 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:30:03,542 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:30:03,542 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:30:03,542 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,542 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:30:03,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,544 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,544 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:30:03,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:30:03,544 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:30:03,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,561 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,561 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:30:03,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:30:03,562 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,562 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:30:03,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,563 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,563 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,563 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:30:03,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:30:03,563 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:30:03,580 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,580 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,580 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:30:03,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:30:03,580 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,580 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:30:03,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,582 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,582 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:30:03,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:30:03,582 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:30:03,599 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,599 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,599 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:30:03,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:30:03,599 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,599 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:30:03,600 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:30:03,600 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:30:03,600 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,600 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:30:03,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,601 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,601 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,601 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:30:03,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:30:03,601 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:30:03,618 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,618 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,618 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:30:03,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:30:03,618 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,618 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:30:03,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,620 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,620 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,620 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 10:30:03,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 10:30:03,620 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 10:30:03,636 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,637 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,637 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 10:30:03,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 10:30:03,637 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,637 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:30:03,637 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:30:03,637 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:30:03,637 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,637 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:30:03,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,639 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,639 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,639 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:30:03,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:30:03,639 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:30:03,655 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,656 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,656 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:30:03,656 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:30:03,656 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:30:03,656 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,656 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:30:03,656 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,657 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,657 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,658 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,658 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,659 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:30:03,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:30:03,659 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:30:03,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,675 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,675 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:30:03,675 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,677 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,678 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,678 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:30:03,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:30:03,678 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:30:03,695 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,695 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,695 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:30:03,695 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,695 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,695 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,697 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,698 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,698 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:30:03,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:30:03,698 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:30:03,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,715 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,715 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:30:03,715 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,715 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,715 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,717 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,717 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,717 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:30:03,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:30:03,717 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:30:03,734 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,734 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,735 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:30:03,735 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,735 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,737 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,737 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,737 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:30:03,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:30:03,737 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:30:03,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,755 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,755 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:30:03,755 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,757 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,757 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,757 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:30:03,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:30:03,757 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:30:03,774 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,775 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,775 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:30:03,775 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,775 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,777 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,777 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:30:03,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:30:03,777 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:30:03,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,794 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,794 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:30:03,794 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,794 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,797 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,797 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:30:03,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:30:03,797 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:30:03,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,814 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,814 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:30:03,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,816 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,816 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:30:03,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:30:03,817 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:30:03,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,834 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,834 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:30:03,834 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:30:03,834 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:30:03,834 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,834 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:30:03,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,836 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,836 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:30:03,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:30:03,836 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:30:03,853 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,853 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,853 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:30:03,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:30:03,853 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,853 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:30:03,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,855 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,855 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 10:30:03,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 10:30:03,855 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 10:30:03,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,872 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,872 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 10:30:03,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 10:30:03,872 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,872 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:30:03,872 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:30:03,872 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:30:03,872 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,872 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:30:03,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,874 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,874 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:30:03,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:30:03,874 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:30:03,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,890 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,890 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:30:03,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:30:03,891 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,891 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:30:03,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,892 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,892 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,892 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:30:03,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:30:03,892 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:30:03,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,909 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,909 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:30:03,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:30:03,909 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,909 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:30:03,910 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:30:03,910 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:30:03,910 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,910 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:30:03,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,911 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,911 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:30:03,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:30:03,912 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:30:03,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,928 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,929 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:30:03,929 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:30:03,929 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:30:03,929 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,929 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:30:03,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,930 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,930 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:30:03,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:30:03,931 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:30:03,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,947 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,947 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:30:03,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:30:03,947 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,947 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:30:03,947 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:30:03,948 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:30:03,948 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,948 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:30:03,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,949 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,949 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:30:03,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:30:03,949 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:30:03,967 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,967 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,967 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:30:03,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:30:03,967 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,967 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:30:03,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,969 - INFO - number of orbitals:  116
+2024-12-09 10:30:03,969 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,969 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,969 - INFO - moving on ...
+2024-12-09 10:30:03,969 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:30:03,969 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:30:03,969 - INFO - problem_instance short name: O_1
+2024-12-09 10:30:03,970 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,970 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:30:03,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,971 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,971 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,971 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:30:03,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:30:03,971 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:30:03,988 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,988 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,988 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:30:03,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:30:03,988 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,988 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:30:03,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,990 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,990 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,990 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:30:03,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:30:03,990 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:30:04,006 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,007 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,007 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:30:04,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:30:04,007 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,007 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:30:04,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,009 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,009 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,009 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:30:04,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:30:04,009 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:30:04,025 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,026 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,026 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:30:04,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:30:04,026 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,026 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:30:04,026 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:30:04,026 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:30:04,026 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,026 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:30:04,026 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,026 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,026 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,028 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,028 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,028 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:30:04,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:30:04,029 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:30:04,044 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,045 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,045 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:30:04,045 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,045 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,045 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,047 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,047 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,047 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:30:04,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:30:04,047 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:30:04,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,064 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,064 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:30:04,064 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,066 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,066 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,066 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:30:04,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:30:04,066 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:30:04,083 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,083 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,083 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:30:04,083 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,083 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,083 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,085 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,085 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:30:04,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:30:04,085 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:30:04,102 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,102 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,102 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:30:04,102 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,102 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,102 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,104 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,104 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:30:04,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:30:04,105 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:30:04,121 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,121 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,121 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:30:04,121 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,122 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,122 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,124 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,124 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:30:04,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:30:04,124 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:30:04,140 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,140 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,141 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:30:04,141 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,141 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,141 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,143 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,143 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,143 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:30:04,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:30:04,143 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:30:04,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,160 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,160 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:30:04,160 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,160 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,160 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,162 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,162 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,162 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:30:04,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:30:04,162 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:30:04,178 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,179 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,179 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:30:04,179 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,179 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,179 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,181 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,181 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:30:04,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:30:04,181 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:30:04,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,198 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,198 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:30:04,198 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,199 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,199 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,201 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,201 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,201 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:30:04,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:30:04,201 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:30:04,218 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,218 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,218 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:30:04,218 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,218 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,218 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,220 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,221 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,221 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:30:04,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:30:04,221 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:30:04,237 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,238 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,238 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:30:04,238 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,238 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,238 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,240 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,240 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:30:04,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:30:04,240 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:30:04,257 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,257 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,258 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:30:04,258 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:30:04,258 - INFO - problem_instance short name: be_0
+2024-12-09 10:30:04,258 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,258 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:30:04,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,259 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,259 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,260 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:30:04,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:30:04,260 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:30:04,276 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,277 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,277 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:30:04,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:30:04,277 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,277 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:30:04,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,278 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,278 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:30:04,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:30:04,279 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:30:04,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,295 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,296 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:30:04,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:30:04,296 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,296 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:30:04,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,297 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,297 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,297 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:30:04,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:30:04,297 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:30:04,314 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,314 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,314 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:30:04,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:30:04,314 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,314 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:30:04,315 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:30:04,315 - INFO - problem_instance short name: f2_0
+2024-12-09 10:30:04,315 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,315 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:30:04,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,316 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,316 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:30:04,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:30:04,317 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:30:04,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,333 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,333 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:30:04,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:30:04,334 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,334 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:30:04,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,335 - INFO - number of orbitals:  110
+2024-12-09 10:30:04,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,335 - INFO - moving on ...
+2024-12-09 10:30:04,335 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:30:04,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,337 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,337 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,337 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:30:04,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:30:04,337 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:30:04,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,354 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,354 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:30:04,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:30:04,354 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,354 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:30:04,354 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:30:04,354 - INFO - problem_instance short name: n2_0
+2024-12-09 10:30:04,354 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,354 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:30:04,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,356 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,356 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:30:04,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:30:04,356 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:30:04,372 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,373 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,373 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:30:04,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:30:04,373 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,373 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:30:04,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,375 - INFO - number of orbitals:  110
+2024-12-09 10:30:04,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,375 - INFO - moving on ...
+2024-12-09 10:30:04,375 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:30:04,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,376 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,376 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,376 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:30:04,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:30:04,376 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:30:04,393 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,393 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,393 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:30:04,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:30:04,393 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,393 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:30:04,394 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:30:04,394 - INFO - problem_instance short name: fe_red
+2024-12-09 10:30:04,394 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,394 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:30:04,394 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,394 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,394 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,396 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,396 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,396 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:30:04,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:30:04,396 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:30:04,413 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,413 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,413 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:30:04,414 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,414 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,414 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,416 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,416 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,416 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:30:04,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:30:04,416 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:30:04,433 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,433 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,433 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:30:04,433 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,433 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,433 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,435 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,435 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,435 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:30:04,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:30:04,436 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:30:04,452 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,453 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,453 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:30:04,453 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,453 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,453 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,455 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,455 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,455 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:30:04,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:30:04,455 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:30:04,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,472 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,472 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:30:04,472 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,472 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,472 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,474 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,474 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,474 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:30:04,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:30:04,474 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:30:04,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,491 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,491 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:30:04,491 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,491 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,491 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,493 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,493 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,493 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:30:04,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:30:04,494 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:30:04,510 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,510 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,511 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:30:04,511 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,511 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,511 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,513 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,513 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,513 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:30:04,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:30:04,513 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:30:04,529 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,530 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,530 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:30:04,530 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,530 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,530 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,532 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,532 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,532 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:30:04,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:30:04,532 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:30:04,549 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,549 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,550 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:30:04,550 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,550 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,550 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,552 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,552 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,552 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:30:04,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:30:04,552 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:30:04,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,569 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,569 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:30:04,569 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:30:04,570 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:30:04,570 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,570 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:30:04,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,571 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,571 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,571 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:30:04,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:30:04,571 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:30:04,588 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,588 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,588 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:30:04,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:30:04,588 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,588 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:30:04,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,590 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,590 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-09 10:30:04,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-09 10:30:04,590 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-09 10:30:04,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,607 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,607 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-09 10:30:04,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-09 10:30:04,607 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,607 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:30:04,607 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:30:04,607 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:30:04,607 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,608 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:30:04,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,609 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,609 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:30:04,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:30:04,609 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:30:04,625 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,626 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,626 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:30:04,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:30:04,626 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,626 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:30:04,626 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:30:04,626 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:30:04,626 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,626 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:30:04,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,628 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,628 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:30:04,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:30:04,628 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:30:04,644 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,645 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,645 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:30:04,645 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:30:04,645 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:30:04,645 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,645 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:30:04,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,647 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,647 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,647 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:30:04,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:30:04,647 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:30:04,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,664 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,664 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:30:04,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:30:04,664 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,664 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:30:04,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,666 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,666 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:30:04,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:30:04,666 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:30:04,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,683 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,683 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:30:04,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:30:04,683 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,683 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:30:04,683 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:30:04,683 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:30:04,683 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,683 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:30:04,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,685 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,685 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,685 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:30:04,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:30:04,685 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:30:04,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,702 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,702 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:30:04,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:30:04,702 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,702 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:30:04,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,704 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,704 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,704 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-09 10:30:04,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-09 10:30:04,704 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-09 10:30:04,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,721 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,721 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-09 10:30:04,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-09 10:30:04,721 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,722 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:30:04,722 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:30:04,722 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:30:04,722 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,722 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:30:04,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,723 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,723 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,723 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:30:04,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:30:04,724 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:30:04,740 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,741 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,741 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:30:04,741 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:30:04,741 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:30:04,741 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,741 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:30:04,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,743 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,743 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,743 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:30:04,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:30:04,743 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:30:04,759 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,760 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,760 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:30:04,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:30:04,760 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,760 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:30:04,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,761 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,761 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,762 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-09 10:30:04,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-09 10:30:04,762 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-09 10:30:04,778 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,778 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,779 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-09 10:30:04,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-09 10:30:04,779 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,779 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:30:04,779 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:30:04,779 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:30:04,779 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,779 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:30:04,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,781 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,781 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,781 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:30:04,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:30:04,781 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:30:04,798 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,798 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,798 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:30:04,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:30:04,798 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,798 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:30:04,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,800 - INFO - number of orbitals:  106
+2024-12-09 10:30:04,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,800 - INFO - moving on ...
+2024-12-09 10:30:04,800 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:30:04,800 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:30:04,800 - INFO - problem_instance short name: p2_0
+2024-12-09 10:30:04,800 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,800 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:30:04,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,801 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,802 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,802 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:30:04,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:30:04,802 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:30:04,818 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,818 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,818 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:30:04,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:30:04,819 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,819 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:30:04,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,820 - INFO - number of orbitals:  118
+2024-12-09 10:30:04,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,820 - INFO - moving on ...
+2024-12-09 10:30:04,820 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:30:04,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,822 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,822 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:30:04,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:30:04,822 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:30:04,838 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,838 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,838 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:30:04,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:30:04,839 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,839 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:30:04,839 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:30:04,839 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:30:04,839 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,839 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:30:04,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,840 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,840 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,840 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:30:04,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:30:04,841 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:30:04,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,858 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,858 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:30:04,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:30:04,858 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,858 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:30:04,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,859 - INFO - number of orbitals:  114
+2024-12-09 10:30:04,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,860 - INFO - moving on ...
+2024-12-09 10:30:04,860 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:30:04,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,861 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,861 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,861 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:30:04,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:30:04,861 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:30:04,877 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,878 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,878 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:30:04,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:30:04,878 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,878 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:30:04,878 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:30:04,878 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:30:04,878 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,878 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:30:04,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,880 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,880 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,880 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:30:04,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:30:04,880 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:30:04,897 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,897 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,897 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:30:04,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:30:04,897 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,897 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:30:04,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,899 - INFO - number of orbitals:  115
+2024-12-09 10:30:04,899 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,899 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,899 - INFO - moving on ...
+2024-12-09 10:30:04,899 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:30:04,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,901 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,901 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,901 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:30:04,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:30:04,901 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:30:04,917 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,918 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,918 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:30:04,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:30:04,918 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,918 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:30:04,918 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:30:04,918 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:30:04,918 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,918 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:30:04,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,920 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,920 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,920 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:30:04,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:30:04,920 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:30:04,937 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,937 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,937 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:30:04,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:30:04,938 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,938 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:30:04,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,939 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,939 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,939 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:30:04,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:30:04,939 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:30:04,956 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,956 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,956 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:30:04,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:30:04,956 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,956 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:30:04,957 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:30:04,957 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:30:04,957 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,957 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:30:04,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,958 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,958 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,958 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:30:04,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:30:04,958 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:30:04,975 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,975 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,975 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:30:04,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:30:04,976 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,976 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:30:04,976 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:30:04,976 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:30:04,976 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,976 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:30:04,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,977 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,977 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,977 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:30:04,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:30:04,978 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:30:04,994 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,994 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,995 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:30:04,995 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:30:04,995 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:30:04,995 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,995 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:30:04,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,996 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,997 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,997 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:30:04,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:30:04,997 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:30:05,013 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,014 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,014 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:30:05,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:30:05,014 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,014 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:30:05,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,015 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,015 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,015 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
+2024-12-09 10:30:05,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
+2024-12-09 10:30:05,016 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
+2024-12-09 10:30:05,032 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,032 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,032 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
+2024-12-09 10:30:05,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
+2024-12-09 10:30:05,032 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,032 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:30:05,033 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:30:05,033 - INFO - problem_instance short name: V_1
+2024-12-09 10:30:05,033 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,033 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:30:05,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,034 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,034 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,034 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:30:05,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:30:05,034 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:30:05,051 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,051 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,051 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:30:05,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:30:05,051 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,051 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:30:05,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,053 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,053 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
+2024-12-09 10:30:05,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
+2024-12-09 10:30:05,053 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
+2024-12-09 10:30:05,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,070 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,070 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
+2024-12-09 10:30:05,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
+2024-12-09 10:30:05,070 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,070 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:30:05,070 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:30:05,070 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:30:05,070 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,070 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:30:05,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,072 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,072 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:30:05,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:30:05,072 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:30:05,089 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,089 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,089 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:30:05,089 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:30:05,089 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:30:05,089 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,090 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:30:05,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,091 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,091 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:30:05,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:30:05,091 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:30:05,108 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,108 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,108 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:30:05,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:30:05,108 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,108 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:30:05,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,110 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,110 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,110 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
+2024-12-09 10:30:05,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
+2024-12-09 10:30:05,110 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
+2024-12-09 10:30:05,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,127 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,127 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
+2024-12-09 10:30:05,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
+2024-12-09 10:30:05,127 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,127 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:30:05,127 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:30:05,127 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:30:05,127 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,127 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:30:05,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,129 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,129 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:30:05,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:30:05,129 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:30:05,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,146 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,146 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:30:05,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:30:05,146 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,146 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:30:05,146 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:30:05,146 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:30:05,146 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,146 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:30:05,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,148 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,148 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:30:05,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:30:05,148 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:30:05,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,165 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,166 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:30:05,166 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:30:05,166 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:30:05,166 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,166 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:30:05,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,167 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,168 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,168 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:30:05,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:30:05,168 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:30:05,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,185 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,185 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:30:05,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:30:05,185 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,185 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:30:05,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,187 - INFO - number of orbitals:  116
+2024-12-09 10:30:05,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,187 - INFO - moving on ...
+2024-12-09 10:30:05,187 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:30:05,187 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:30:05,187 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:30:05,187 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,187 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:30:05,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,189 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,189 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:30:05,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:30:05,189 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:30:05,205 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,206 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,206 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:30:05,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:30:05,206 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,206 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:30:05,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,208 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,208 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
+2024-12-09 10:30:05,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
+2024-12-09 10:30:05,208 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
+2024-12-09 10:30:05,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,225 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,225 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
+2024-12-09 10:30:05,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
+2024-12-09 10:30:05,225 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,225 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:30:05,225 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:30:05,226 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:30:05,226 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,226 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:30:05,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,227 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,227 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:30:05,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:30:05,227 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:30:05,244 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,245 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,245 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:30:05,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:30:05,245 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,245 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:30:05,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,247 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,247 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,247 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
+2024-12-09 10:30:05,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
+2024-12-09 10:30:05,247 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
+2024-12-09 10:30:05,263 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,263 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,264 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
+2024-12-09 10:30:05,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
+2024-12-09 10:30:05,264 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,264 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:30:05,264 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:30:05,264 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:30:05,264 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,264 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:30:05,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,266 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,266 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:30:05,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:30:05,266 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:30:05,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,282 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,282 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:30:05,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:30:05,282 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,282 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:30:05,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,284 - INFO - number of orbitals:  110
+2024-12-09 10:30:05,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,284 - INFO - moving on ...
+2024-12-09 10:30:05,284 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:30:05,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,285 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,285 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,285 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:30:05,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:30:05,285 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:30:05,301 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,302 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,302 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:30:05,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:30:05,302 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,302 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:30:05,302 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:30:05,302 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:30:05,302 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,302 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:30:05,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,304 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,304 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,304 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:30:05,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:30:05,304 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:30:05,320 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,321 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,321 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:30:05,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:30:05,321 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,321 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:30:05,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,323 - INFO - number of orbitals:  135
+2024-12-09 10:30:05,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,323 - INFO - moving on ...
+2024-12-09 10:30:05,323 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:30:05,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,324 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,324 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,324 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
+2024-12-09 10:30:05,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
+2024-12-09 10:30:05,324 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
+2024-12-09 10:30:05,340 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,341 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,341 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
+2024-12-09 10:30:05,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
+2024-12-09 10:30:05,341 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,341 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:30:05,341 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:30:05,341 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:30:05,341 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,341 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:30:05,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,343 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,343 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,343 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:30:05,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:30:05,343 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:30:05,359 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,360 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,360 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:30:05,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:30:05,360 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,360 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:30:05,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,362 - INFO - number of orbitals:  119
+2024-12-09 10:30:05,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,362 - INFO - moving on ...
+2024-12-09 10:30:05,362 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:30:05,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,363 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,363 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,363 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:30:05,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:30:05,363 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:30:05,379 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,380 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,380 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:30:05,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:30:05,380 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,380 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:30:05,380 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:30:05,380 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:30:05,380 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,380 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:30:05,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,382 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,382 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,382 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:30:05,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:30:05,382 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:30:05,398 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,399 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,399 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:30:05,399 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:30:05,399 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,399 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:30:05,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,400 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,401 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,401 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:30:05,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:30:05,401 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:30:05,417 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,418 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,418 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:30:05,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:30:05,418 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,418 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:30:05,418 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:30:05,418 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:30:05,418 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,418 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:30:05,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,420 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,420 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,420 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:30:05,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:30:05,420 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:30:05,436 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,437 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,437 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:30:05,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:30:05,437 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,437 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:30:05,437 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:30:05,437 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:30:05,437 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,437 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:30:05,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,439 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,439 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,439 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:30:05,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:30:05,439 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:30:05,456 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,456 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,456 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:30:05,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:30:05,456 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,456 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:30:05,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,458 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,458 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,458 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
+2024-12-09 10:30:05,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
+2024-12-09 10:30:05,458 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
+2024-12-09 10:30:05,475 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,475 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,475 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
+2024-12-09 10:30:05,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
+2024-12-09 10:30:05,475 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,475 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:30:05,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,477 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,477 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,477 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:30:05,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:30:05,477 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:30:05,494 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,494 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,494 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:30:05,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:30:05,494 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,494 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:30:05,495 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:30:05,495 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:30:05,495 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,495 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:30:05,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,496 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,496 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,496 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:30:05,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:30:05,496 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:30:05,513 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,513 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,513 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:30:05,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:30:05,513 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,513 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:30:05,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,515 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,515 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,515 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
+2024-12-09 10:30:05,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
+2024-12-09 10:30:05,515 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
+2024-12-09 10:30:05,531 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,532 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,532 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
+2024-12-09 10:30:05,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
+2024-12-09 10:30:05,532 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,532 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:30:05,532 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:30:05,532 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:30:05,532 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,532 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:30:05,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,534 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,534 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:30:05,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:30:05,534 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:30:05,550 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,551 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,551 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:30:05,551 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:30:05,551 - INFO - problem_instance short name: O_0
+2024-12-09 10:30:05,551 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,551 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:30:05,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,553 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,553 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,553 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:30:05,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:30:05,553 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:30:05,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,570 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,570 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:30:05,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:30:05,570 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,570 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:30:05,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,572 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,572 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:30:05,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:30:05,572 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:30:05,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,589 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,589 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:30:05,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:30:05,589 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,590 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:30:05,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,591 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,591 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,591 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:30:05,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:30:05,591 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:30:05,608 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,608 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,608 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:30:05,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:30:05,608 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,608 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:30:05,608 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:30:05,609 - INFO - problem_instance short name: ozone
+2024-12-09 10:30:05,609 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,609 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:30:05,609 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,609 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,609 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,611 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,611 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,611 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:30:05,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:30:05,611 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:30:05,628 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,628 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,628 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:30:05,628 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,628 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,628 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,630 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,631 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,631 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:30:05,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:30:05,631 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:30:05,647 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,647 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,647 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:30:05,648 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,648 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,650 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,650 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,650 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
+2024-12-09 10:30:05,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
+2024-12-09 10:30:05,650 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
+2024-12-09 10:30:05,667 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,667 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,667 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:30:05,667 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,667 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,667 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,669 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,669 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,669 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:30:05,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:30:05,669 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:30:05,686 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,687 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,687 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:30:05,687 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,687 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,687 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,689 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,689 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,689 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:30:05,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:30:05,689 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:30:05,707 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,707 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,707 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:30:05,707 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,707 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,707 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,710 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,710 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,710 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
+2024-12-09 10:30:05,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
+2024-12-09 10:30:05,710 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
+2024-12-09 10:30:05,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,728 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,728 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:30:05,728 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:30:05,728 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:30:05,728 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,728 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:30:05,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,730 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,730 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,730 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:30:05,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:30:05,730 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:30:05,747 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,747 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,747 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:30:05,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:30:05,747 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,747 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:30:05,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,749 - INFO - number of orbitals:  115
+2024-12-09 10:30:05,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,749 - INFO - moving on ...
+2024-12-09 10:30:05,749 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:30:05,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,751 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,751 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,751 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:30:05,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:30:05,751 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:30:05,767 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,768 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,768 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:30:05,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:30:05,768 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,768 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:30:05,768 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:30:05,768 - INFO - problem_instance short name: VO_0
+2024-12-09 10:30:05,768 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,768 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:30:05,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,770 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,770 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,770 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:30:05,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:30:05,770 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:30:05,786 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,787 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,787 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:30:05,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:30:05,787 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,787 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:30:05,787 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:30:05,788 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:30:05,788 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,788 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:30:05,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,789 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,789 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,789 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:30:05,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:30:05,789 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:30:05,806 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,806 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,806 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:30:05,807 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:30:05,807 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:30:05,807 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,807 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:30:05,807 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,807 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,807 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,809 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,809 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,809 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:30:05,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:30:05,809 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:30:05,825 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,826 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,826 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:30:05,826 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,828 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,828 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,828 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:30:05,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:30:05,828 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:30:05,845 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,845 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,845 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:30:05,845 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,845 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,847 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,847 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,847 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:30:05,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:30:05,848 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:30:05,864 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,865 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,865 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:30:05,865 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,865 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,865 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,867 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,867 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,867 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:30:05,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:30:05,867 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:30:05,885 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,885 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,885 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:30:05,885 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,886 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,886 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,888 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,888 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,888 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:30:05,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:30:05,888 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:30:05,904 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,904 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,904 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:30:05,904 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,904 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,904 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,906 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,906 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,906 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:30:05,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:30:05,907 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:30:05,923 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,923 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,924 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:30:05,924 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:30:05,924 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:30:05,924 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,924 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:30:05,924 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,924 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,925 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,927 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,927 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:30:05,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:30:05,927 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:30:05,943 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,944 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,944 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:30:05,944 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,944 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,944 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,946 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,946 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,946 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:30:05,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:30:05,946 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:30:05,963 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,963 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,963 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:30:05,963 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,963 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,963 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,965 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,965 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:30:05,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:30:05,966 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:30:05,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,982 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,982 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:30:05,983 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:30:05,983 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:30:05,983 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,983 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:30:05,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,984 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,985 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:30:05,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:30:05,985 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:30:06,002 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,002 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,002 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:30:06,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:30:06,002 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,002 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:30:06,003 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:30:06,003 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:30:06,003 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,003 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:30:06,003 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,003 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,004 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,006 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,006 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,006 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:30:06,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:30:06,006 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:30:06,024 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,024 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,024 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:30:06,024 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,025 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,025 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,027 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,027 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:30:06,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:30:06,027 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:30:06,044 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,044 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,044 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:30:06,044 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,044 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,045 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,047 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,047 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,047 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:30:06,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:30:06,047 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:30:06,064 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,065 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,065 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:30:06,065 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,065 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,065 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,067 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,067 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,067 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:30:06,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:30:06,067 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:30:06,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,085 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,085 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:30:06,085 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,085 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,085 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,087 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,087 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,087 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:30:06,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:30:06,087 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:30:06,104 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,105 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,105 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:30:06,105 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,105 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,105 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,107 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,107 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,107 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:30:06,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:30:06,108 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:30:06,125 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,125 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,125 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:30:06,125 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,125 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,126 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,128 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,128 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,128 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:30:06,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:30:06,128 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:30:06,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,146 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,146 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:30:06,146 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,146 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,146 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,148 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,148 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:30:06,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:30:06,148 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:30:06,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,166 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,166 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:30:06,166 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,166 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,166 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,168 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,168 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:30:06,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:30:06,168 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:30:06,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,184 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,185 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:30:06,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,187 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,187 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,187 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:30:06,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:30:06,187 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:30:06,204 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,204 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,204 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:30:06,204 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,204 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,205 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,207 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,207 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:30:06,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:30:06,207 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:30:06,224 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,225 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,225 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:30:06,225 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,225 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,225 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,227 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,227 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:30:06,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:30:06,227 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:30:06,244 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,245 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,245 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:30:06,245 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,245 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,245 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,247 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,248 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,248 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:30:06,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:30:06,248 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:30:06,269 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,270 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,270 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:30:06,270 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,270 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,270 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,272 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,272 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:30:06,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:30:06,273 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:30:06,289 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,289 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,289 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:30:06,289 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,290 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,290 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,292 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,292 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:30:06,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:30:06,292 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:30:06,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,309 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,309 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:30:06,309 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,309 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,309 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,311 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,311 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:30:06,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:30:06,311 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:30:06,328 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,329 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,329 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:30:06,329 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:30:06,329 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:30:06,329 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,329 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:30:06,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,331 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,331 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:30:06,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:30:06,331 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:30:06,348 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,348 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,348 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:30:06,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:30:06,348 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,348 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:30:06,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,350 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,350 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,350 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
+2024-12-09 10:30:06,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
+2024-12-09 10:30:06,350 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
+2024-12-09 10:30:06,366 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,367 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,367 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
+2024-12-09 10:30:06,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
+2024-12-09 10:30:06,367 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,367 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:30:06,367 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:30:06,367 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:30:06,367 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,367 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:30:06,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,369 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,369 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:30:06,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:30:06,369 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:30:06,386 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,386 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,386 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:30:06,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:30:06,387 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,387 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:30:06,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,388 - INFO - number of orbitals:  118
+2024-12-09 10:30:06,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:06,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:06,388 - INFO - moving on ...
+2024-12-09 10:30:06,388 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:30:06,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,390 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,390 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:30:06,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:30:06,390 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:30:06,407 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,407 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,407 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:30:06,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:30:06,407 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,407 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:30:06,407 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:30:06,408 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:30:06,408 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,408 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:30:06,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,409 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,409 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:30:06,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:30:06,409 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:30:06,427 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,428 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,428 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:30:06,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:30:06,428 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,428 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:30:06,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,430 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,430 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:30:06,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:30:06,430 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:30:06,446 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,446 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,447 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:30:06,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:30:06,447 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,447 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:30:06,447 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:30:06,447 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:30:06,447 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,447 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:30:06,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,449 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,449 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,449 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:30:06,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:30:06,449 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,466 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,466 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,466 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:30:06,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:30:06,467 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,467 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:30:06,467 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:30:06,467 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:30:06,467 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,467 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:30:06,467 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,467 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,467 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,469 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,470 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:30:06,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:30:06,470 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:30:06,487 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,487 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,487 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:30:06,488 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,488 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,488 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,490 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,490 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,490 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:30:06,490 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:30:06,490 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:30:06,507 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,507 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,507 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:30:06,507 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,508 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,508 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,509 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,510 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,510 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:30:06,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:30:06,510 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,526 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,527 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,527 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:30:06,527 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,527 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,527 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,529 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,529 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,529 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:30:06,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:30:06,529 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,546 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,547 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,547 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:30:06,547 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,547 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,547 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,549 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,549 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,549 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:30:06,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:30:06,549 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:30:06,566 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,566 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,566 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:30:06,566 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,567 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,567 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,569 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,569 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,569 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:30:06,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:30:06,569 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:30:06,585 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,586 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,586 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:30:06,586 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,586 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,586 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,588 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,588 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,588 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:30:06,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:30:06,588 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:30:06,605 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,605 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,605 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:30:06,605 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,606 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,606 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,608 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,608 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,608 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:30:06,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:30:06,608 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:30:06,625 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,625 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,625 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:30:06,625 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,626 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,626 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,628 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,628 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:30:06,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:30:06,628 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:30:06,644 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,645 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,645 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:30:06,645 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,645 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,645 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,647 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,647 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,647 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:30:06,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:30:06,647 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:30:06,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,664 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,664 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:30:06,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,665 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,665 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,667 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,667 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,667 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:30:06,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:30:06,667 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,683 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,684 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,684 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:30:06,684 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,684 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,684 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,686 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,686 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,686 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:30:06,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:30:06,686 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:30:06,703 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,703 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,703 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:30:06,703 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:30:06,704 - INFO - problem_instance short name: benzene
+2024-12-09 10:30:06,704 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,704 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:30:06,704 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,704 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,704 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,706 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,706 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,706 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:30:06,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:30:06,706 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:30:06,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,723 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,723 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:30:06,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,725 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,725 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,725 - INFO - supporting data file UUID: 96ff0e22-a3ab-49f3-aee9-9a1886cbf850.
+2024-12-09 10:30:06,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz.
+2024-12-09 10:30:06,725 - INFO - assuming FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz is an FCIDUMP file.
+2024-12-09 10:30:06,742 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,742 - INFO - instance_data_object_uuid 96ff0e22-a3ab-49f3-aee9-9a1886cbf850 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,743 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:30:06,743 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:30:06,743 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:30:06,743 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,743 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:30:06,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,745 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,745 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,745 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:30:06,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:30:06,745 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:30:06,763 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,764 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,765 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:30:06,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:30:06,765 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,765 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:30:06,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,767 - INFO - number of orbitals:  135
+2024-12-09 10:30:06,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:06,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:06,767 - INFO - moving on ...
+2024-12-09 10:30:06,767 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:30:06,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,768 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,768 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,768 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:30:06,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:30:06,769 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:30:06,785 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,785 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,785 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:30:06,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:30:06,786 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,786 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:30:06,786 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:30:06,786 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:30:06,786 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,786 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:30:06,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,787 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,788 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,788 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:30:06,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:30:06,788 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:30:06,805 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,805 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,805 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:30:06,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:30:06,805 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,805 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:30:06,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,807 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,807 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,807 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:30:06,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:30:06,807 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:30:06,824 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,824 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,824 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:30:06,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:30:06,824 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,824 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:30:06,825 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:30:06,825 - INFO - problem_instance short name: V_0
+2024-12-09 10:30:06,825 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,825 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:30:06,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,826 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,826 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,827 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:30:06,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:30:06,827 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:30:06,843 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,844 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,844 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:30:06,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:30:06,844 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,844 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:30:06,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,846 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,846 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,846 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:30:06,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:30:06,846 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:30:06,862 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,863 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,863 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:30:06,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:30:06,863 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,863 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:30:06,863 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:30:06,863 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:30:06,863 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,863 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:30:06,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,865 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,865 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,865 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:30:06,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:30:06,865 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:30:06,881 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,882 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,882 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:30:06,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:30:06,882 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,882 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:30:06,882 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:30:06,882 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:30:06,882 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,882 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:30:06,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,884 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,884 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,884 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:30:06,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:30:06,884 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:30:06,901 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,901 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,901 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:30:06,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:30:06,901 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,901 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:30:06,902 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:30:06,902 - INFO - problem_instance short name: na2_0
+2024-12-09 10:30:06,902 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,902 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:30:06,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,903 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,903 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,903 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:30:06,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:30:06,903 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:30:06,920 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,921 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,921 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:30:06,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:30:06,921 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,921 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:30:06,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,923 - INFO - number of orbitals:  118
+2024-12-09 10:30:06,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:06,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:06,923 - INFO - moving on ...
+2024-12-09 10:30:06,923 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:30:06,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,924 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,924 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,924 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:30:06,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:30:06,924 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:30:06,941 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,941 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,942 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:30:06,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:30:06,942 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,942 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:30:06,942 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:30:06,942 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:30:06,942 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,942 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:30:06,942 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,943 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,943 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,945 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,945 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:30:06,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:30:06,945 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,962 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,962 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,963 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:30:06,963 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,963 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,963 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,965 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,965 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:30:06,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:30:06,965 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:30:06,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,982 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,982 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:30:06,982 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,982 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,982 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,985 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,985 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,985 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:30:06,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:30:06,985 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:30:07,002 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,002 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,003 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:30:07,003 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,003 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,003 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,005 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,005 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,005 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:30:07,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:30:07,005 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:30:07,022 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,022 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,023 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:30:07,023 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,023 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,023 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,025 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,025 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,025 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:30:07,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:30:07,025 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:30:07,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,043 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,043 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:30:07,043 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,043 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,043 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,045 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,046 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:30:07,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:30:07,046 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:30:07,062 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,063 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,063 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:30:07,063 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,063 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,063 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,065 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,065 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,065 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:30:07,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:30:07,065 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:30:07,082 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,082 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,083 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:30:07,083 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,083 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,083 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,085 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,085 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:30:07,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:30:07,085 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:30:07,101 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,102 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,102 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:30:07,102 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:30:07,102 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:30:07,102 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,102 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:30:07,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,104 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,104 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:30:07,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:30:07,104 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:30:07,121 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,121 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,121 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:30:07,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:30:07,121 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,121 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:30:07,122 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:30:07,122 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:30:07,122 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,122 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:30:07,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,123 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,123 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:30:07,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:30:07,123 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:30:07,140 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,140 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,140 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:30:07,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:30:07,140 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,141 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:30:07,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,142 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,142 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,142 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:30:07,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:30:07,142 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:30:07,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,159 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,159 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:30:07,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:30:07,159 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,159 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:30:07,159 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:30:07,160 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:30:07,160 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,160 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:30:07,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,161 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,161 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:30:07,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:30:07,161 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:30:07,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,177 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,178 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:30:07,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:30:07,178 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,178 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:30:07,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,179 - INFO - number of orbitals:  119
+2024-12-09 10:30:07,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:07,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:07,179 - INFO - moving on ...
+2024-12-09 10:30:07,179 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:30:07,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,181 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,181 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:30:07,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:30:07,181 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:30:07,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,198 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,198 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:30:07,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:30:07,198 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,199 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:30:07,199 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:30:07,199 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:30:07,199 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,199 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:30:07,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,200 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,200 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,200 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:30:07,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:30:07,201 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:30:07,217 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,217 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,217 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:30:07,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:30:07,217 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,218 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:30:07,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,219 - INFO - number of orbitals:  135
+2024-12-09 10:30:07,219 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:07,219 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:07,219 - INFO - moving on ...
+2024-12-09 10:30:07,219 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:30:07,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,220 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,221 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,221 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:30:07,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:30:07,221 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:30:07,237 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,237 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,237 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:30:07,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:30:07,237 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,237 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:30:07,238 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:30:07,238 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:30:07,238 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,238 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:30:07,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,239 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,239 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,239 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:30:07,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:30:07,240 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:30:07,256 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,256 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,257 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:30:07,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:30:07,257 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,257 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:30:07,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,258 - INFO - number of orbitals:  118
+2024-12-09 10:30:07,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:07,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:07,259 - INFO - moving on ...
+2024-12-09 10:30:07,259 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:30:07,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,260 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,260 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,260 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:30:07,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:30:07,261 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:30:07,277 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,278 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,278 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:30:07,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:30:07,278 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,278 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:30:07,278 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:30:07,278 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:30:07,278 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,279 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:30:07,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,280 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,280 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,280 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:30:07,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:30:07,280 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:30:07,297 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,297 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,298 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:30:07,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:30:07,298 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,298 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:30:07,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,299 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,299 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,299 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:30:07,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:30:07,299 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:30:07,316 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,316 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,316 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:30:07,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:30:07,316 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,316 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:30:07,316 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:30:07,316 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:30:07,317 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,317 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:30:07,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,318 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,318 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,318 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:30:07,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:30:07,318 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:30:07,336 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,336 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,336 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:30:07,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:30:07,336 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,336 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:30:07,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,338 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,338 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,338 - INFO - supporting data file UUID: 2294b211-7a05-445e-810d-4c1706e1444c.
+2024-12-09 10:30:07,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz.
+2024-12-09 10:30:07,338 - INFO - assuming fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz is an FCIDUMP file.
+2024-12-09 10:30:07,355 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,355 - INFO - did NOT find instance_data_object_uuid 2294b211-7a05-445e-810d-4c1706e1444c in database.
+2024-12-09 10:30:07,355 - INFO - Processing instance_data_object_uuid 2294b211-7a05-445e-810d-4c1706e1444c ...
+2024-12-09 10:30:07,355 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz...
+2024-12-09 10:30:07,404 - INFO - Connected (version 2.0, client 0)
+2024-12-09 10:30:07,928 - INFO - Authentication (publickey) successful!
+2024-12-09 10:30:07,946 - INFO - [chan 0] Opened sftp connection (server version 3)
+2024-12-09 10:31:45,782 - INFO - [chan 0] sftp session closed.
+2024-12-09 10:31:45,782 - INFO - File fetched successfully from sftp.l3harris.com
+2024-12-09 10:31:45,782 - INFO - decompressing file fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz...
+2024-12-09 10:31:50,116 - INFO - this script has been running for 0.04 hours.
+2024-12-09 10:31:50,116 - INFO - ===============================================
+2024-12-09 10:31:50,116 - INFO - calculating Hamiltonian features...
+2024-12-09 10:31:50,116 - INFO - reading data from fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c
+2024-12-09 10:32:25,961 - INFO - finished reading FCIDUMP data.
+2024-12-09 10:32:25,961 - INFO - data['NORB']: 110
+2024-12-09 10:32:25,962 - INFO - len(data['H1']): 110
+2024-12-09 10:32:25,962 - INFO - ao2mo.restore...
+2024-12-09 10:32:26,534 - INFO - done.
+2024-12-09 10:32:26,535 - INFO - QuarticDirac(eri_4d, h1, norb)...
+2024-12-09 10:32:26,535 - INFO - done.
+2024-12-09 10:32:26,535 - INFO - majorana_operator_from_quartic(quartic_fermion)...
+2024-12-09 14:54:46,153 - INFO - done.
+2024-12-09 14:54:46,153 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
+2024-12-09 15:23:43,006 - INFO - done.
+2024-12-09 15:23:43,006 - INFO - compute_hypergraph_ham_features(pauli_data)...
+2024-12-09 15:27:26,897 - INFO - done.
+2024-12-09 15:27:26,897 - INFO - double_factorization_from_quartic(quartic_fermion)...
+2024-12-09 15:28:27,923 - INFO - done.
+2024-12-09 15:28:27,924 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
+2024-12-09 15:28:27,927 - INFO - done.
+2024-12-09 15:28:27,927 - INFO - Compute FCI determinant dimension using binomial coefficients...
+2024-12-09 15:28:27,928 - INFO - done.
+2024-12-09 15:28:45,172 - INFO - Hamiltonian features calculation run time (seconds): 17815.055222
+2024-12-09 15:28:45,172 - INFO - wrote df_eigs to file: df_eigs.2294b211-7a05-445e-810d-4c1706e1444c.bin
+2024-12-09 15:28:45,172 - INFO - deleting file fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.
+2024-12-09 15:28:45,255 - INFO - appending data to file Hamiltonian_features.csv
+2024-12-09 15:28:45,270 - INFO - this script has been running for 4.99 hours.
+2024-12-09 15:28:45,271 - INFO - supporting data file UUID: e2d31834-f73d-46a0-ba41-fa67b298611c.
+2024-12-09 15:28:45,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVQZ.e2d31834-f73d-46a0-ba41-fa67b298611c.chk.
+2024-12-09 15:28:45,271 - INFO - assuming li_f_cc-pVQZ.e2d31834-f73d-46a0-ba41-fa67b298611c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,271 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 15:28:45,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,272 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,272 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 15:28:45,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 15:28:45,272 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 15:28:45,287 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,287 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,287 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 15:28:45,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 15:28:45,287 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,287 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 15:28:45,287 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 15:28:45,287 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 15:28:45,287 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,287 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 15:28:45,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,289 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,289 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,289 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 15:28:45,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 15:28:45,289 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 15:28:45,302 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,303 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,303 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 15:28:45,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 15:28:45,303 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,303 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 15:28:45,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,304 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,304 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,304 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 15:28:45,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 15:28:45,304 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 15:28:45,318 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,318 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,318 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 15:28:45,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 15:28:45,318 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,318 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 15:28:45,319 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 15:28:45,319 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 15:28:45,319 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,319 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 15:28:45,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,320 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,320 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,320 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 15:28:45,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 15:28:45,320 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 15:28:45,334 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,335 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,335 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 15:28:45,335 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 15:28:45,335 - INFO - problem_instance short name: Mn_0
+2024-12-09 15:28:45,335 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,335 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 15:28:45,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,337 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,337 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,337 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 15:28:45,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 15:28:45,337 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 15:28:45,351 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,351 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,351 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 15:28:45,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 15:28:45,351 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,351 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 15:28:45,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,353 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,353 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,353 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 15:28:45,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 15:28:45,353 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 15:28:45,367 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,367 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,367 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 15:28:45,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 15:28:45,367 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,367 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 15:28:45,368 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 15:28:45,368 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 15:28:45,368 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,368 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 15:28:45,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,369 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,369 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 15:28:45,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 15:28:45,369 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 15:28:45,383 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,383 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,383 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 15:28:45,383 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 15:28:45,384 - INFO - problem_instance short name: mo_n2
+2024-12-09 15:28:45,384 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,384 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 15:28:45,384 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,384 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,384 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,386 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,386 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,386 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 15:28:45,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 15:28:45,386 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 15:28:45,400 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,400 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,400 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 15:28:45,400 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,401 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,401 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,402 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,403 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,403 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 15:28:45,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 15:28:45,403 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 15:28:45,417 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,417 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,417 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 15:28:45,417 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,417 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,417 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,419 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,419 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,419 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 15:28:45,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 15:28:45,419 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 15:28:45,434 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,434 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,434 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 15:28:45,434 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,434 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,434 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,436 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,436 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,436 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 15:28:45,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 15:28:45,436 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 15:28:45,450 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,451 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,451 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 15:28:45,451 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 15:28:45,451 - INFO - problem_instance short name: li_h_0
+2024-12-09 15:28:45,451 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,451 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 15:28:45,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,453 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,453 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 15:28:45,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 15:28:45,453 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 15:28:45,467 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,467 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,467 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 15:28:45,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 15:28:45,468 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,468 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 15:28:45,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,469 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,469 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 15:28:45,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 15:28:45,469 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 15:28:45,483 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,484 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,484 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 15:28:45,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 15:28:45,484 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,484 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 15:28:45,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,485 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,485 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 15:28:45,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 15:28:45,485 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 15:28:45,499 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,500 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,500 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 15:28:45,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 15:28:45,500 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,500 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 15:28:45,500 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 15:28:45,500 - INFO - problem_instance short name: li2_0
+2024-12-09 15:28:45,500 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,500 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 15:28:45,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,501 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,501 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,502 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 15:28:45,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 15:28:45,502 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 15:28:45,515 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,516 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,516 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 15:28:45,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 15:28:45,516 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,516 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 15:28:45,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,517 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,517 - INFO - supporting data file UUID: 6224abe8-831e-4b52-b8d9-8ebac0a35c2b.
+2024-12-09 15:28:45,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz.
+2024-12-09 15:28:45,517 - INFO - assuming fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz is an FCIDUMP file.
+2024-12-09 15:28:45,531 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,532 - INFO - instance_data_object_uuid 6224abe8-831e-4b52-b8d9-8ebac0a35c2b is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,532 - INFO - supporting data file UUID: 2c2461b8-9343-4405-a3d5-aadd0a6cdac9.
+2024-12-09 15:28:45,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk.
+2024-12-09 15:28:45,532 - INFO - assuming li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,532 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 15:28:45,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,533 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,533 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,533 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 15:28:45,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 15:28:45,533 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 15:28:45,547 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,547 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,547 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 15:28:45,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 15:28:45,548 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,548 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 15:28:45,548 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 15:28:45,548 - INFO - problem_instance short name: h_f_0
+2024-12-09 15:28:45,548 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,548 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 15:28:45,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,550 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,550 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,550 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 15:28:45,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 15:28:45,550 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 15:28:45,564 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,564 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,565 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 15:28:45,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 15:28:45,565 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,565 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 15:28:45,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,566 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,566 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,566 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 15:28:45,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 15:28:45,566 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 15:28:45,581 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,581 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,581 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 15:28:45,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 15:28:45,581 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,581 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 15:28:45,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,582 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,583 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 15:28:45,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 15:28:45,583 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 15:28:45,596 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,597 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,597 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 15:28:45,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 15:28:45,597 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,597 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 15:28:45,597 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 15:28:45,597 - INFO - problem_instance short name: Fe_0
+2024-12-09 15:28:45,597 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,597 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 15:28:45,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,599 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,599 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,599 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 15:28:45,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 15:28:45,599 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 15:28:45,613 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,614 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,614 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 15:28:45,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 15:28:45,614 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,614 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 15:28:45,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,615 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,615 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,615 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 15:28:45,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 15:28:45,615 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 15:28:45,630 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,630 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,630 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 15:28:45,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 15:28:45,630 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,630 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 15:28:45,630 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 15:28:45,630 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 15:28:45,630 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,630 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 15:28:45,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,632 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,632 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,632 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 15:28:45,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 15:28:45,632 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 15:28:45,647 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,647 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,647 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 15:28:45,647 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 15:28:45,647 - INFO - problem_instance short name: ru_macho
+2024-12-09 15:28:45,647 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,647 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 15:28:45,648 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,648 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,650 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,650 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,650 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 15:28:45,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 15:28:45,650 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 15:28:45,664 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,665 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,665 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 15:28:45,665 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,665 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,665 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,667 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,667 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,667 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 15:28:45,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 15:28:45,667 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 15:28:45,682 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,682 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,682 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 15:28:45,683 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,683 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,684 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,685 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,685 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 15:28:45,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 15:28:45,685 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 15:28:45,699 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,699 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,699 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 15:28:45,699 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,700 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,700 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,702 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,702 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,702 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 15:28:45,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 15:28:45,702 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 15:28:45,717 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,717 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,717 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 15:28:45,717 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,717 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,717 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,719 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,719 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,719 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 15:28:45,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 15:28:45,719 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 15:28:45,733 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,733 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,734 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 15:28:45,734 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,734 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,734 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,735 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,736 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,736 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 15:28:45,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 15:28:45,736 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 15:28:45,751 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,751 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,751 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 15:28:45,751 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,751 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,751 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,753 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,753 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 15:28:45,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 15:28:45,753 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 15:28:45,768 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,768 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,768 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 15:28:45,768 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,768 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,768 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,770 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,770 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,770 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 15:28:45,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 15:28:45,770 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 15:28:45,784 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,784 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,785 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 15:28:45,785 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,785 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,785 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,787 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,787 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,787 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 15:28:45,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 15:28:45,787 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 15:28:45,801 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,801 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,802 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 15:28:45,802 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 15:28:45,802 - INFO - problem_instance short name: Cu_1
+2024-12-09 15:28:45,802 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,802 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 15:28:45,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,803 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,803 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,803 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 15:28:45,803 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 15:28:45,804 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 15:28:45,818 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,818 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,818 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 15:28:45,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 15:28:45,818 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,818 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 15:28:45,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,820 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,820 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,820 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 15:28:45,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 15:28:45,820 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 15:28:45,834 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,835 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,835 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 15:28:45,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 15:28:45,835 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,835 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 15:28:45,835 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 15:28:45,835 - INFO - problem_instance short name: n_h3_0
+2024-12-09 15:28:45,835 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,835 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 15:28:45,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,836 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,836 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 15:28:45,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 15:28:45,837 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 15:28:45,850 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,851 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,851 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 15:28:45,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 15:28:45,851 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,851 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 15:28:45,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,852 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,852 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,852 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 15:28:45,852 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 15:28:45,852 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 15:28:45,866 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,867 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,867 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 15:28:45,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 15:28:45,867 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,867 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 15:28:45,867 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 15:28:45,867 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 15:28:45,867 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,867 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 15:28:45,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,868 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,868 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 15:28:45,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 15:28:45,868 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 15:28:45,883 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,883 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,883 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 15:28:45,883 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 15:28:45,883 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 15:28:45,883 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,884 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 15:28:45,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,885 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,885 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,885 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 15:28:45,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 15:28:45,885 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 15:28:45,899 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,900 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,900 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 15:28:45,900 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 15:28:45,900 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,900 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 15:28:45,900 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 15:28:45,900 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 15:28:45,900 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,900 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 15:28:45,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,902 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,902 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,902 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 15:28:45,902 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 15:28:45,902 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 15:28:45,916 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,916 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,916 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 15:28:45,916 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 15:28:45,917 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,917 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 15:28:45,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,918 - INFO - number of orbitals:  116
+2024-12-09 15:28:45,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 15:28:45,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 15:28:45,918 - INFO - moving on ...
+2024-12-09 15:28:45,918 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 15:28:45,918 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 15:28:45,918 - INFO - problem_instance short name: O_1
+2024-12-09 15:28:45,918 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,918 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 15:28:45,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,920 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,920 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,920 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 15:28:45,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 15:28:45,920 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 15:28:45,934 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,934 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,934 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 15:28:45,935 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 15:28:45,935 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,935 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 15:28:45,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,936 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,936 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,936 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 15:28:45,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 15:28:45,936 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 15:28:45,950 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,951 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,951 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 15:28:45,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 15:28:45,951 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,951 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 15:28:45,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,952 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,952 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 15:28:45,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 15:28:45,953 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 15:28:45,967 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,967 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,967 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 15:28:45,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 15:28:45,967 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,967 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 15:28:45,968 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 15:28:45,968 - INFO - problem_instance short name: cr_dimer
+2024-12-09 15:28:45,968 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,968 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 15:28:45,968 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,968 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,968 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,970 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,970 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,970 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 15:28:45,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 15:28:45,970 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 15:28:45,984 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,985 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,985 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 15:28:45,985 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,985 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,985 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,987 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,987 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,987 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 15:28:45,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 15:28:45,987 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 15:28:46,000 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,001 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,001 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 15:28:46,001 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,001 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,001 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,003 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,003 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,003 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 15:28:46,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 15:28:46,003 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 15:28:46,017 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,017 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,017 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 15:28:46,017 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,017 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,017 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,019 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,019 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,019 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 15:28:46,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 15:28:46,019 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 15:28:46,033 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,034 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,034 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 15:28:46,034 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,034 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,034 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,036 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,036 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,036 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 15:28:46,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 15:28:46,036 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 15:28:46,049 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,050 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,050 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 15:28:46,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,050 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,050 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,052 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,052 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,052 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 15:28:46,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 15:28:46,052 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 15:28:46,066 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,066 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,066 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 15:28:46,067 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,067 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,067 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,069 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,069 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 15:28:46,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 15:28:46,069 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 15:28:46,083 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,083 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,083 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 15:28:46,083 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,083 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,083 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,085 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,085 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 15:28:46,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 15:28:46,086 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 15:28:46,100 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,100 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,101 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 15:28:46,101 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,101 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,101 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,103 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,103 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,103 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 15:28:46,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 15:28:46,103 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 15:28:46,117 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,118 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,118 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 15:28:46,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,120 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,120 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,120 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 15:28:46,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 15:28:46,120 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 15:28:46,136 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,136 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,136 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 15:28:46,136 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,136 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,136 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,139 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,139 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,139 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 15:28:46,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 15:28:46,139 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 15:28:46,154 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,155 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,155 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 15:28:46,155 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,155 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,155 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,157 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,157 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,157 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 15:28:46,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 15:28:46,157 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 15:28:46,172 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,173 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,173 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 15:28:46,173 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 15:28:46,173 - INFO - problem_instance short name: be_0
+2024-12-09 15:28:46,173 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:46,173 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 15:28:46,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,174 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,174 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,174 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 15:28:46,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 15:28:46,174 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 15:28:46,188 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,189 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,189 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 15:28:46,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 15:28:46,189 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:46,189 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 15:28:46,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,190 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,190 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 15:28:46,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 15:28:46,191 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 15:28:46,205 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,205 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,205 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 15:28:46,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 15:28:46,205 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:46,206 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 15:28:46,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,207 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,207 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 15:28:46,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 15:28:46,207 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 15:28:46,222 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,222 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,222 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 15:28:46,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 15:28:46,222 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:46,222 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 15:28:46,222 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 15:28:46,223 - INFO - problem_instance short name: f2_0
+2024-12-09 15:28:46,223 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:46,223 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 15:28:46,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,224 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,224 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,224 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 15:28:46,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 15:28:46,224 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 15:28:46,240 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,240 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,240 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 15:28:46,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 15:28:46,240 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:46,240 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 15:28:46,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,242 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,242 - INFO - supporting data file UUID: 29d645f8-ce30-4e18-9f41-644ac5f9d922.
+2024-12-09 15:28:46,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz.
+2024-12-09 15:28:46,242 - INFO - assuming fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz is an FCIDUMP file.
+2024-12-09 15:28:46,257 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,257 - INFO - did NOT find instance_data_object_uuid 29d645f8-ce30-4e18-9f41-644ac5f9d922 in database.
+2024-12-09 15:28:46,257 - INFO - Processing instance_data_object_uuid 29d645f8-ce30-4e18-9f41-644ac5f9d922 ...
+2024-12-09 15:28:46,257 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz...
+2024-12-09 15:28:46,303 - INFO - Connected (version 2.0, client 0)
+2024-12-09 15:28:46,813 - INFO - Authentication (publickey) successful!
+2024-12-09 15:28:46,829 - INFO - [chan 0] Opened sftp connection (server version 3)
+2024-12-09 15:30:58,490 - INFO - [chan 0] sftp session closed.
+2024-12-09 15:30:58,491 - INFO - File fetched successfully from sftp.l3harris.com
+2024-12-09 15:30:58,491 - INFO - decompressing file fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz...
+2024-12-09 15:31:04,298 - INFO - this script has been running for 5.03 hours.
+2024-12-09 15:31:04,298 - INFO - ===============================================
+2024-12-09 15:31:04,298 - INFO - calculating Hamiltonian features...
+2024-12-09 15:31:04,298 - INFO - reading data from fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922
+2024-12-09 15:31:45,875 - INFO - finished reading FCIDUMP data.
+2024-12-09 15:31:45,875 - INFO - data['NORB']: 110
+2024-12-09 15:31:45,875 - INFO - len(data['H1']): 110
+2024-12-09 15:31:45,875 - INFO - ao2mo.restore...
+2024-12-09 15:31:46,511 - INFO - done.
+2024-12-09 15:31:46,511 - INFO - QuarticDirac(eri_4d, h1, norb)...
+2024-12-09 15:31:46,511 - INFO - done.
+2024-12-09 15:31:46,511 - INFO - majorana_operator_from_quartic(quartic_fermion)...
+2024-12-09 19:58:27,806 - INFO - done.
+2024-12-09 19:58:27,806 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
+2024-12-09 20:13:47,646 - INFO - done.
+2024-12-09 20:13:47,646 - INFO - compute_hypergraph_ham_features(pauli_data)...
+2024-12-09 20:15:48,896 - INFO - done.
+2024-12-09 20:15:48,896 - INFO - double_factorization_from_quartic(quartic_fermion)...
+2024-12-09 20:16:49,476 - INFO - done.
+2024-12-09 20:16:49,476 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
+2024-12-09 20:16:49,477 - INFO - done.
+2024-12-09 20:16:49,477 - INFO - Compute FCI determinant dimension using binomial coefficients...
+2024-12-09 20:16:49,477 - INFO - done.
+2024-12-09 20:16:59,015 - INFO - Hamiltonian features calculation run time (seconds): 17154.716681
+2024-12-09 20:16:59,015 - INFO - wrote df_eigs to file: df_eigs.29d645f8-ce30-4e18-9f41-644ac5f9d922.bin
+2024-12-09 20:16:59,015 - INFO - deleting file fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.
+2024-12-09 20:16:59,115 - INFO - appending data to file Hamiltonian_features.csv
+2024-12-09 20:16:59,118 - INFO - this script has been running for 9.80 hours.
+2024-12-09 20:16:59,118 - INFO - supporting data file UUID: 5c169867-7d8c-44d8-8b34-4ecc34cd9649.
+2024-12-09 20:16:59,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVQZ.5c169867-7d8c-44d8-8b34-4ecc34cd9649.chk.
+2024-12-09 20:16:59,118 - INFO - assuming f2_cc-pVQZ.5c169867-7d8c-44d8-8b34-4ecc34cd9649.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 20:16:59,118 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 20:16:59,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 20:16:59,119 - INFO - attempting to process the Hamiltonian...
+2024-12-09 20:16:59,119 - INFO - number of supporting files: 2
+2024-12-09 20:16:59,119 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 20:16:59,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 20:16:59,119 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 20:16:59,134 - INFO - number of entries in Hamiltonian_features.csv:  213
+2024-12-09 20:16:59,134 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 20:16:59,134 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 20:16:59,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 20:16:59,134 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 20:16:59,134 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 20:16:59,134 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 20:16:59,134 - INFO - problem_instance short name: n2_0
+2024-12-09 20:16:59,134 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 20:16:59,134 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 20:16:59,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 20:16:59,136 - INFO - attempting to process the Hamiltonian...
+2024-12-09 20:16:59,136 - INFO - number of supporting files: 2
+2024-12-09 20:16:59,136 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 20:16:59,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 20:16:59,136 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 20:16:59,149 - INFO - number of entries in Hamiltonian_features.csv:  213
+2024-12-09 20:16:59,150 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 20:16:59,150 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 20:16:59,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 20:16:59,150 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 20:16:59,150 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 20:16:59,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 20:16:59,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 20:16:59,151 - INFO - number of supporting files: 2
+2024-12-09 20:16:59,151 - INFO - supporting data file UUID: e84ef191-bfe0-4859-96b9-0613cad743d4.
+2024-12-09 20:16:59,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz.
+2024-12-09 20:16:59,151 - INFO - assuming fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz is an FCIDUMP file.
+2024-12-09 20:16:59,165 - INFO - number of entries in Hamiltonian_features.csv:  213
+2024-12-09 20:16:59,165 - INFO - did NOT find instance_data_object_uuid e84ef191-bfe0-4859-96b9-0613cad743d4 in database.
+2024-12-09 20:16:59,165 - INFO - Processing instance_data_object_uuid e84ef191-bfe0-4859-96b9-0613cad743d4 ...
+2024-12-09 20:16:59,165 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz...
+2024-12-09 20:16:59,210 - INFO - Connected (version 2.0, client 0)
+2024-12-09 20:16:59,709 - INFO - Authentication (publickey) successful!
+2024-12-09 20:16:59,731 - INFO - [chan 0] Opened sftp connection (server version 3)
+2024-12-09 20:18:48,259 - INFO - [chan 0] sftp session closed.
+2024-12-09 20:18:48,259 - INFO - File fetched successfully from sftp.l3harris.com
+2024-12-09 20:18:48,259 - INFO - decompressing file fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz...
+2024-12-09 20:18:54,208 - INFO - this script has been running for 9.83 hours.
+2024-12-09 20:18:54,208 - INFO - ===============================================
+2024-12-09 20:18:54,208 - INFO - calculating Hamiltonian features...
+2024-12-09 20:18:54,208 - INFO - reading data from fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4
+2024-12-09 20:19:34,591 - INFO - finished reading FCIDUMP data.
+2024-12-09 20:19:34,592 - INFO - data['NORB']: 110
+2024-12-09 20:19:34,592 - INFO - len(data['H1']): 110
+2024-12-09 20:19:34,592 - INFO - ao2mo.restore...
+2024-12-09 20:19:35,186 - INFO - done.
+2024-12-09 20:19:35,187 - INFO - QuarticDirac(eri_4d, h1, norb)...
+2024-12-09 20:19:35,187 - INFO - done.
+2024-12-09 20:19:35,187 - INFO - majorana_operator_from_quartic(quartic_fermion)...
+2024-12-10 00:18:22,719 - INFO - done.
+2024-12-10 00:18:22,720 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
+2024-12-10 00:33:12,192 - INFO - done.
+2024-12-10 00:33:12,192 - INFO - compute_hypergraph_ham_features(pauli_data)...
+2024-12-10 00:35:19,754 - INFO - done.
+2024-12-10 00:35:19,754 - INFO - double_factorization_from_quartic(quartic_fermion)...
+2024-12-10 00:36:29,535 - INFO - done.
+2024-12-10 00:36:29,535 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
+2024-12-10 00:36:29,536 - INFO - done.
+2024-12-10 00:36:29,536 - INFO - Compute FCI determinant dimension using binomial coefficients...
+2024-12-10 00:36:29,536 - INFO - done.
+2024-12-10 00:36:39,218 - INFO - Hamiltonian features calculation run time (seconds): 15465.010171
+2024-12-10 00:36:39,219 - INFO - wrote df_eigs to file: df_eigs.e84ef191-bfe0-4859-96b9-0613cad743d4.bin
+2024-12-10 00:36:39,219 - INFO - deleting file fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.
+2024-12-10 00:36:39,327 - INFO - appending data to file Hamiltonian_features.csv
+2024-12-10 00:36:39,329 - INFO - this script has been running for 14.12 hours.
+2024-12-10 00:36:39,329 - INFO - supporting data file UUID: bb706eb0-f001-4938-8b70-b9f742942f45.
+2024-12-10 00:36:39,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVQZ.bb706eb0-f001-4938-8b70-b9f742942f45.chk.
+2024-12-10 00:36:39,330 - INFO - assuming n2_cc-pVQZ.bb706eb0-f001-4938-8b70-b9f742942f45.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,330 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-10 00:36:39,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,331 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,331 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,331 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-10 00:36:39,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-10 00:36:39,332 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-10 00:36:39,348 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,348 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,348 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-10 00:36:39,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-10 00:36:39,348 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,348 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-10 00:36:39,349 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-10 00:36:39,349 - INFO - problem_instance short name: fe_red
+2024-12-10 00:36:39,349 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,349 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-10 00:36:39,349 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,349 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,349 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,351 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,351 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,351 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-10 00:36:39,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-10 00:36:39,351 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-10 00:36:39,366 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,367 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,367 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-10 00:36:39,367 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,367 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,367 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,369 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,369 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,369 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-10 00:36:39,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-10 00:36:39,369 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-10 00:36:39,385 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,385 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,385 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-10 00:36:39,385 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,386 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,386 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,388 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,388 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,388 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-10 00:36:39,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-10 00:36:39,388 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-10 00:36:39,403 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,403 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,403 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-10 00:36:39,403 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,403 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,403 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,405 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,405 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,406 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-10 00:36:39,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-10 00:36:39,406 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-10 00:36:39,423 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,423 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,423 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-10 00:36:39,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,423 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,423 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,426 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,426 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,426 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-10 00:36:39,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-10 00:36:39,426 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-10 00:36:39,445 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,446 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,446 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-10 00:36:39,446 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,446 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,446 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,449 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,449 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,449 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-10 00:36:39,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-10 00:36:39,449 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-10 00:36:39,469 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,469 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,469 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-10 00:36:39,469 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,470 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,470 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,473 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,473 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,473 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-10 00:36:39,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-10 00:36:39,473 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-10 00:36:39,494 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,495 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,495 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-10 00:36:39,495 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,495 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,495 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,498 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,498 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,498 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-10 00:36:39,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-10 00:36:39,499 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-10 00:36:39,519 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,520 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,520 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-10 00:36:39,520 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,520 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,520 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,523 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,523 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,524 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-10 00:36:39,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-10 00:36:39,524 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-10 00:36:39,545 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,545 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,546 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-10 00:36:39,546 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-10 00:36:39,546 - INFO - problem_instance short name: Fe_1
+2024-12-10 00:36:39,546 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,546 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-10 00:36:39,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,549 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,549 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,549 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-10 00:36:39,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-10 00:36:39,549 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-10 00:36:39,570 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,570 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,571 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-10 00:36:39,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-10 00:36:39,571 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,571 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-10 00:36:39,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,573 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,573 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,573 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-10 00:36:39,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-10 00:36:39,573 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-10 00:36:39,594 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,594 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,594 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-10 00:36:39,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-10 00:36:39,595 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,595 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-10 00:36:39,595 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-10 00:36:39,595 - INFO - problem_instance short name: ScO_0
+2024-12-10 00:36:39,595 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,595 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-10 00:36:39,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,597 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,597 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,597 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-10 00:36:39,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-10 00:36:39,597 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-10 00:36:39,616 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,617 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,617 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-10 00:36:39,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-10 00:36:39,617 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,617 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-10 00:36:39,618 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-10 00:36:39,618 - INFO - problem_instance short name: planted_solution_0003
+2024-12-10 00:36:39,618 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,618 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-10 00:36:39,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,620 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,620 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,620 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-10 00:36:39,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-10 00:36:39,620 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-10 00:36:39,637 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,637 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,637 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-10 00:36:39,637 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-10 00:36:39,638 - INFO - problem_instance short name: h_c_n_0
+2024-12-10 00:36:39,638 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,638 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-10 00:36:39,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,639 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,639 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,639 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-10 00:36:39,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-10 00:36:39,639 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-10 00:36:39,654 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,654 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,654 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-10 00:36:39,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-10 00:36:39,655 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,655 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-10 00:36:39,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,656 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,656 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,656 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-10 00:36:39,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-10 00:36:39,656 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-10 00:36:39,671 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,672 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,672 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-10 00:36:39,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-10 00:36:39,672 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,672 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-10 00:36:39,672 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-10 00:36:39,672 - INFO - problem_instance short name: si_h4_0
+2024-12-10 00:36:39,673 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,673 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-10 00:36:39,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,675 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,675 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,675 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-10 00:36:39,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-10 00:36:39,675 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-10 00:36:39,691 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,692 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,692 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-10 00:36:39,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-10 00:36:39,692 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,692 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-10 00:36:39,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,694 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,694 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,694 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-10 00:36:39,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-10 00:36:39,694 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-10 00:36:39,710 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,710 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,711 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-10 00:36:39,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-10 00:36:39,711 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,711 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-10 00:36:39,711 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-10 00:36:39,711 - INFO - problem_instance short name: planted_solution_0009
+2024-12-10 00:36:39,711 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,711 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-10 00:36:39,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,713 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,713 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,713 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-10 00:36:39,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-10 00:36:39,713 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-10 00:36:39,730 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,731 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,731 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-10 00:36:39,731 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-10 00:36:39,731 - INFO - problem_instance short name: Mn_1
+2024-12-10 00:36:39,731 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,731 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-10 00:36:39,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,733 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,733 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,734 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-10 00:36:39,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-10 00:36:39,734 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-10 00:36:39,754 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,754 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,755 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-10 00:36:39,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-10 00:36:39,755 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,755 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-10 00:36:39,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,757 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,757 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,757 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-10 00:36:39,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-10 00:36:39,757 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-10 00:36:39,778 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,778 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,778 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-10 00:36:39,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-10 00:36:39,779 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,779 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-10 00:36:39,779 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-10 00:36:39,779 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-10 00:36:39,779 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,779 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-10 00:36:39,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,781 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,781 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,781 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-10 00:36:39,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-10 00:36:39,781 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-10 00:36:39,798 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,798 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,798 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-10 00:36:39,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-10 00:36:39,798 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,798 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-10 00:36:39,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,800 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,800 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,800 - INFO - supporting data file UUID: a53ae008-4ad2-4736-9a57-cfc011e3aace.
+2024-12-10 00:36:39,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz.
+2024-12-10 00:36:39,800 - INFO - assuming fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz is an FCIDUMP file.
+2024-12-10 00:36:39,815 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,816 - INFO - did NOT find instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace in database.
+2024-12-10 00:36:39,816 - INFO - Processing instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace ...
+2024-12-10 00:36:39,816 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
+2024-12-10 00:36:39,861 - INFO - Connected (version 2.0, client 0)
+2024-12-10 00:36:40,382 - INFO - Authentication (publickey) successful!
+2024-12-10 00:36:40,397 - INFO - [chan 0] Opened sftp connection (server version 3)
+2024-12-10 00:43:17,919 - INFO - [chan 0] sftp session closed.
+2024-12-10 00:43:17,920 - INFO - File fetched successfully from sftp.l3harris.com
+2024-12-10 00:43:17,920 - INFO - decompressing file fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
+2024-12-10 00:43:29,322 - INFO - this script has been running for 14.24 hours.
+2024-12-10 00:43:29,322 - INFO - ===============================================
+2024-12-10 00:43:29,322 - INFO - calculating Hamiltonian features...
+2024-12-10 00:43:29,322 - INFO - reading data from fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace
+2024-12-10 00:45:03,550 - INFO - finished reading FCIDUMP data.
+2024-12-10 00:45:03,550 - INFO - data['NORB']: 106
+2024-12-10 00:45:03,550 - INFO - len(data['H1']): 106
+2024-12-10 00:45:03,550 - INFO - ao2mo.restore...
+2024-12-10 00:45:04,172 - INFO - done.
+2024-12-10 00:45:04,172 - INFO - QuarticDirac(eri_4d, h1, norb)...
+2024-12-10 00:45:04,172 - INFO - done.
+2024-12-10 00:45:04,172 - INFO - majorana_operator_from_quartic(quartic_fermion)...
diff --git a/scripts/compute_all_ham_features_script.py b/scripts/compute_all_ham_features_script.py
index e56bbae..f024613 100755
--- a/scripts/compute_all_ham_features_script.py
+++ b/scripts/compute_all_ham_features_script.py
@@ -183,7 +183,7 @@ def main(args):
         max_num_orbitals += 5 # increase the size of Hamiltonians considered in each loop.
         finished_all_hamiltonians = True # reset... update to `False` if we skip one due to its large size.
         
-        random.shuffle(problem_instance_files) # randomize order of problem instances processed.
+        # random.shuffle(problem_instance_files) # randomize order of problem instances processed.
 
         for problem_instance_file_name in problem_instance_files:
             problem_instance_path = input_dir + problem_instance_file_name
diff --git a/scripts/ham_features_df_eigs/double_factorized_eigs.2294b211-7a05-445e-810d-4c1706e1444c.bin b/scripts/ham_features_df_eigs/double_factorized_eigs.2294b211-7a05-445e-810d-4c1706e1444c.bin
new file mode 100644
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new file mode 100644
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diff --git a/scripts/nohup.out b/scripts/nohup.out
new file mode 100644
index 0000000..52b26eb
--- /dev/null
+++ b/scripts/nohup.out
@@ -0,0 +1,57154 @@
+2024-12-09 10:29:15,195 - INFO - ===============================================
+2024-12-09 10:29:15,198 - INFO - overall start time: 2024-12-09 10:29:15.195283
+2024-12-09 10:29:15,198 - INFO - input directory: ../problem_instances/
+2024-12-09 10:29:15,198 - INFO - Hamiltonian features file: Hamiltonian_features.csv
+2024-12-09 10:29:15,198 - INFO - creating back up file Hamiltonian_features.csv.backup-2024-12-09-10-29.csv.
+2024-12-09 10:29:15,229 - INFO - parsing 82 files in the input directory
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:15,229 - INFO - file: problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:15,230 - INFO - file: problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:15,245 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:15,246 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:15,246 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:15,246 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,246 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:15,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,253 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,253 - INFO - moving on ...
+2024-12-09 10:29:15,253 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:15,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,254 - INFO - number of orbitals:  118
+2024-12-09 10:29:15,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,254 - INFO - moving on ...
+2024-12-09 10:29:15,254 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:15,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,256 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,256 - INFO - moving on ...
+2024-12-09 10:29:15,256 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:15,257 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:15,257 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:15,257 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,257 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:15,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,258 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,258 - INFO - moving on ...
+2024-12-09 10:29:15,258 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:15,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,260 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,260 - INFO - moving on ...
+2024-12-09 10:29:15,260 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:15,261 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:15,261 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:15,261 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,261 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:15,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,262 - INFO - number of orbitals:  66
+2024-12-09 10:29:15,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,262 - INFO - moving on ...
+2024-12-09 10:29:15,262 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:15,264 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:15,264 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:15,264 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,264 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:15,264 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,264 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,264 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,271 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,271 - INFO - moving on ...
+2024-12-09 10:29:15,271 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:15,271 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,271 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,271 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,274 - INFO - number of orbitals:  22
+2024-12-09 10:29:15,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,274 - INFO - moving on ...
+2024-12-09 10:29:15,274 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:15,274 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,274 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,274 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,277 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,277 - INFO - moving on ...
+2024-12-09 10:29:15,277 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:15,277 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,277 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,277 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,279 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,279 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,279 - INFO - moving on ...
+2024-12-09 10:29:15,279 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:15,279 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,280 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,280 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,281 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,281 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,281 - INFO - moving on ...
+2024-12-09 10:29:15,281 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:15,282 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,282 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,282 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,283 - INFO - number of orbitals:  22
+2024-12-09 10:29:15,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,283 - INFO - moving on ...
+2024-12-09 10:29:15,283 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:15,283 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,283 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,284 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,285 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,285 - INFO - moving on ...
+2024-12-09 10:29:15,285 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:15,285 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,285 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,285 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,287 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,287 - INFO - moving on ...
+2024-12-09 10:29:15,287 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:15,287 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,287 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,287 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,289 - INFO - number of orbitals:  19
+2024-12-09 10:29:15,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,289 - INFO - moving on ...
+2024-12-09 10:29:15,289 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:15,289 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,289 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,289 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,291 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,291 - INFO - moving on ...
+2024-12-09 10:29:15,291 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:15,291 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,291 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,291 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,293 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,293 - INFO - moving on ...
+2024-12-09 10:29:15,293 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:15,293 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,293 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,293 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,295 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,295 - INFO - moving on ...
+2024-12-09 10:29:15,295 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:15,296 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:15,296 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:15,296 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,296 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:15,296 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,297 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,297 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,298 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,298 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,298 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,298 - INFO - moving on ...
+2024-12-09 10:29:15,298 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:15,298 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,299 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,299 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,300 - INFO - number of orbitals:  108
+2024-12-09 10:29:15,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,300 - INFO - moving on ...
+2024-12-09 10:29:15,300 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:15,301 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:15,301 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:15,301 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,301 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:15,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,303 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,303 - INFO - moving on ...
+2024-12-09 10:29:15,303 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:15,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,304 - INFO - number of orbitals:  135
+2024-12-09 10:29:15,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,304 - INFO - moving on ...
+2024-12-09 10:29:15,305 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:15,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,306 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,306 - INFO - moving on ...
+2024-12-09 10:29:15,306 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:15,307 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:15,307 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:15,307 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,307 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:15,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,309 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,309 - INFO - moving on ...
+2024-12-09 10:29:15,309 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:15,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,310 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,310 - INFO - moving on ...
+2024-12-09 10:29:15,310 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:15,312 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:15,312 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:15,312 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,312 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:15,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,313 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,313 - INFO - moving on ...
+2024-12-09 10:29:15,313 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:15,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,314 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,314 - INFO - moving on ...
+2024-12-09 10:29:15,314 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:15,315 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:15,315 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:15,316 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,316 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:15,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,317 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,317 - INFO - moving on ...
+2024-12-09 10:29:15,317 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:15,318 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:15,318 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:15,318 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,318 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:15,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,319 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,319 - INFO - moving on ...
+2024-12-09 10:29:15,319 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:15,320 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:15,320 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:15,321 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,321 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:15,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,322 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,322 - INFO - moving on ...
+2024-12-09 10:29:15,322 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:15,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,323 - INFO - number of orbitals:  118
+2024-12-09 10:29:15,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,323 - INFO - moving on ...
+2024-12-09 10:29:15,323 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:15,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,324 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,325 - INFO - moving on ...
+2024-12-09 10:29:15,325 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:15,327 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:15,327 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:15,327 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,327 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:15,327 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,327 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,327 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,328 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,329 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,329 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:15,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:15,329 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:15,350 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,350 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,350 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:15,350 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,351 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,351 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,353 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,353 - INFO - moving on ...
+2024-12-09 10:29:15,353 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:15,353 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,353 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,353 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,355 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,355 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,355 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:15,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:15,355 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:15,371 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,371 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,371 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:15,371 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,371 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,371 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,373 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,373 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,373 - INFO - moving on ...
+2024-12-09 10:29:15,373 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:15,373 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,373 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,373 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,375 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,375 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,375 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:15,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:15,375 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:15,391 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,391 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,391 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:15,391 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,391 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,391 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,393 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,393 - INFO - moving on ...
+2024-12-09 10:29:15,393 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:15,393 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,393 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,393 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,395 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,395 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,395 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:15,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:15,395 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:15,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,410 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,410 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:15,410 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,410 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,410 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,412 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,412 - INFO - moving on ...
+2024-12-09 10:29:15,412 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:15,414 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:15,414 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:15,414 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,414 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:15,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,415 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,415 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,415 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,415 - INFO - moving on ...
+2024-12-09 10:29:15,415 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:15,416 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:15,416 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:15,416 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,416 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:15,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,417 - INFO - number of orbitals:  33
+2024-12-09 10:29:15,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,418 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,418 - INFO - moving on ...
+2024-12-09 10:29:15,418 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:15,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,419 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,419 - INFO - moving on ...
+2024-12-09 10:29:15,419 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:15,420 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:15,420 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:15,420 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,420 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:15,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,421 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,421 - INFO - moving on ...
+2024-12-09 10:29:15,421 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:15,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,423 - INFO - number of orbitals:  119
+2024-12-09 10:29:15,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,423 - INFO - moving on ...
+2024-12-09 10:29:15,423 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:15,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,424 - INFO - number of orbitals:  62
+2024-12-09 10:29:15,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,424 - INFO - moving on ...
+2024-12-09 10:29:15,424 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:15,425 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:15,425 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:15,425 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,425 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:15,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,426 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,426 - INFO - moving on ...
+2024-12-09 10:29:15,427 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:15,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,428 - INFO - number of orbitals:  135
+2024-12-09 10:29:15,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,428 - INFO - moving on ...
+2024-12-09 10:29:15,428 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:15,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,429 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,429 - INFO - moving on ...
+2024-12-09 10:29:15,429 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:15,430 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:15,430 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:15,430 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,430 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:15,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,431 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,432 - INFO - moving on ...
+2024-12-09 10:29:15,432 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:15,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,433 - INFO - number of orbitals:  118
+2024-12-09 10:29:15,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,433 - INFO - moving on ...
+2024-12-09 10:29:15,433 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:15,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,434 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,434 - INFO - moving on ...
+2024-12-09 10:29:15,434 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:15,436 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:15,436 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:15,436 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,436 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:15,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,437 - INFO - number of orbitals:  38
+2024-12-09 10:29:15,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,437 - INFO - moving on ...
+2024-12-09 10:29:15,437 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:15,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,438 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,438 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,438 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,438 - INFO - moving on ...
+2024-12-09 10:29:15,438 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:15,440 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:15,440 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:15,440 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,440 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:15,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,441 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,441 - INFO - moving on ...
+2024-12-09 10:29:15,441 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:15,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,442 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,442 - INFO - moving on ...
+2024-12-09 10:29:15,442 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:15,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,443 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,444 - INFO - moving on ...
+2024-12-09 10:29:15,444 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:15,445 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:15,445 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:15,445 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,445 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:15,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,446 - INFO - number of orbitals:  38
+2024-12-09 10:29:15,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,446 - INFO - moving on ...
+2024-12-09 10:29:15,446 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:15,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,447 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,447 - INFO - moving on ...
+2024-12-09 10:29:15,447 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:15,449 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:15,449 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:15,449 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,449 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:15,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,450 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,450 - INFO - moving on ...
+2024-12-09 10:29:15,450 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:15,452 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:15,452 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:15,452 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,452 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:15,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,453 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,453 - INFO - moving on ...
+2024-12-09 10:29:15,453 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:15,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,454 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,454 - INFO - moving on ...
+2024-12-09 10:29:15,454 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:15,455 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:15,455 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:15,455 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,455 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:15,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,457 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,457 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,457 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:15,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:15,457 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:15,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,473 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,473 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:15,475 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:15,475 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:15,475 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,475 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:15,475 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,475 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,475 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,477 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,477 - INFO - moving on ...
+2024-12-09 10:29:15,477 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:15,477 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,478 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,478 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,480 - INFO - number of orbitals:  46
+2024-12-09 10:29:15,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,480 - INFO - moving on ...
+2024-12-09 10:29:15,480 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:15,480 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,480 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,480 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,482 - INFO - number of orbitals:  46
+2024-12-09 10:29:15,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,482 - INFO - moving on ...
+2024-12-09 10:29:15,482 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:15,482 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,482 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,482 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,484 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,484 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,484 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,484 - INFO - moving on ...
+2024-12-09 10:29:15,484 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:15,486 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:15,486 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:15,486 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,486 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:15,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,488 - INFO - number of orbitals:  19
+2024-12-09 10:29:15,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,488 - INFO - moving on ...
+2024-12-09 10:29:15,488 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:15,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,489 - INFO - number of orbitals:  85
+2024-12-09 10:29:15,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,489 - INFO - moving on ...
+2024-12-09 10:29:15,489 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:15,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,491 - INFO - number of orbitals:  44
+2024-12-09 10:29:15,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,491 - INFO - moving on ...
+2024-12-09 10:29:15,491 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:15,492 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:15,492 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:15,492 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,492 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:15,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,494 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,494 - INFO - moving on ...
+2024-12-09 10:29:15,494 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:15,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,495 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,495 - INFO - moving on ...
+2024-12-09 10:29:15,495 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:15,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,496 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,497 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,497 - INFO - moving on ...
+2024-12-09 10:29:15,497 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:15,498 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:15,498 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:15,498 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,498 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:15,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,499 - INFO - number of orbitals:  19
+2024-12-09 10:29:15,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,499 - INFO - moving on ...
+2024-12-09 10:29:15,499 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:15,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,501 - INFO - number of orbitals:  85
+2024-12-09 10:29:15,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,501 - INFO - moving on ...
+2024-12-09 10:29:15,501 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:15,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,502 - INFO - number of orbitals:  44
+2024-12-09 10:29:15,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,502 - INFO - moving on ...
+2024-12-09 10:29:15,502 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:15,503 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:15,503 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:15,503 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,503 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:15,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,505 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,505 - INFO - moving on ...
+2024-12-09 10:29:15,505 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:15,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,506 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,507 - INFO - moving on ...
+2024-12-09 10:29:15,507 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:15,508 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:15,508 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:15,508 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,508 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:15,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,509 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,509 - INFO - moving on ...
+2024-12-09 10:29:15,509 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:15,511 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:15,511 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:15,511 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,511 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:15,511 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,511 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,511 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,513 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,513 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,513 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:15,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:15,513 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:15,528 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,528 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,528 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:15,528 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,528 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,529 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,530 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,530 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,530 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:15,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:15,531 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:15,544 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,545 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,545 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:15,545 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,545 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,545 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,547 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,547 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,547 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:15,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:15,547 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:15,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,563 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,563 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:15,563 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,563 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,563 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,565 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,565 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:15,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:15,565 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:15,581 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,582 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,582 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:15,582 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,582 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,582 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,584 - INFO - number of orbitals:  33
+2024-12-09 10:29:15,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,584 - INFO - moving on ...
+2024-12-09 10:29:15,584 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:15,584 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,584 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,584 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,586 - INFO - number of orbitals:  23
+2024-12-09 10:29:15,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,586 - INFO - moving on ...
+2024-12-09 10:29:15,586 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:15,586 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,586 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,586 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,588 - INFO - number of orbitals:  45
+2024-12-09 10:29:15,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,588 - INFO - moving on ...
+2024-12-09 10:29:15,588 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:15,588 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,588 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,588 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,590 - INFO - number of orbitals:  21
+2024-12-09 10:29:15,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,590 - INFO - moving on ...
+2024-12-09 10:29:15,590 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:15,590 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,590 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,590 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,592 - INFO - number of orbitals:  42
+2024-12-09 10:29:15,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,592 - INFO - moving on ...
+2024-12-09 10:29:15,592 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:15,593 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:15,593 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:15,593 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,594 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:15,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,595 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,595 - INFO - moving on ...
+2024-12-09 10:29:15,595 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:15,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,596 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,597 - INFO - moving on ...
+2024-12-09 10:29:15,597 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:15,598 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:15,598 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:15,598 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,598 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:15,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,599 - INFO - number of orbitals:  29
+2024-12-09 10:29:15,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,599 - INFO - moving on ...
+2024-12-09 10:29:15,599 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:15,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,600 - INFO - number of orbitals:  72
+2024-12-09 10:29:15,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,600 - INFO - moving on ...
+2024-12-09 10:29:15,600 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:15,601 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:15,601 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:15,601 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,602 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:15,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,603 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,603 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,603 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:15,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:15,603 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:15,620 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,621 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,621 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:15,622 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:15,622 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:15,622 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,622 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:15,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,623 - INFO - number of orbitals:  48
+2024-12-09 10:29:15,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,624 - INFO - moving on ...
+2024-12-09 10:29:15,624 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:15,624 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:15,624 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:15,624 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,624 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:15,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,626 - INFO - number of orbitals:  48
+2024-12-09 10:29:15,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,626 - INFO - moving on ...
+2024-12-09 10:29:15,626 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:15,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,627 - INFO - number of orbitals:  116
+2024-12-09 10:29:15,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,627 - INFO - moving on ...
+2024-12-09 10:29:15,627 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:15,628 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:15,628 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:15,628 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,628 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:15,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,630 - INFO - number of orbitals:  22
+2024-12-09 10:29:15,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,630 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,630 - INFO - moving on ...
+2024-12-09 10:29:15,630 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:15,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,631 - INFO - number of orbitals:  79
+2024-12-09 10:29:15,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,631 - INFO - moving on ...
+2024-12-09 10:29:15,631 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:15,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,633 - INFO - number of orbitals:  45
+2024-12-09 10:29:15,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,633 - INFO - moving on ...
+2024-12-09 10:29:15,633 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:15,634 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:15,634 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:15,634 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,634 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:15,634 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,634 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,634 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,636 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,636 - INFO - moving on ...
+2024-12-09 10:29:15,636 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:15,636 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,636 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,636 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,638 - INFO - number of orbitals:  26
+2024-12-09 10:29:15,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,638 - INFO - moving on ...
+2024-12-09 10:29:15,638 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:15,638 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,638 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,638 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,640 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,640 - INFO - moving on ...
+2024-12-09 10:29:15,640 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:15,640 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,640 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,640 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,641 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,642 - INFO - moving on ...
+2024-12-09 10:29:15,642 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:15,642 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,642 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,642 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,643 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,644 - INFO - moving on ...
+2024-12-09 10:29:15,644 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:15,644 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,644 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,644 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,645 - INFO - number of orbitals:  26
+2024-12-09 10:29:15,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,645 - INFO - moving on ...
+2024-12-09 10:29:15,646 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:15,646 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,646 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,646 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,647 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,647 - INFO - moving on ...
+2024-12-09 10:29:15,647 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:15,647 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,647 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,649 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,649 - INFO - moving on ...
+2024-12-09 10:29:15,649 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:15,649 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,649 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,649 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,651 - INFO - number of orbitals:  18
+2024-12-09 10:29:15,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,651 - INFO - moving on ...
+2024-12-09 10:29:15,651 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:15,651 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,651 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,651 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,653 - INFO - number of orbitals:  26
+2024-12-09 10:29:15,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,653 - INFO - moving on ...
+2024-12-09 10:29:15,653 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:15,653 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,653 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,653 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,655 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,655 - INFO - moving on ...
+2024-12-09 10:29:15,655 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:15,655 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,655 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,655 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,657 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,657 - INFO - moving on ...
+2024-12-09 10:29:15,657 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:15,658 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:15,658 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:15,658 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,658 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:15,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,659 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,659 - INFO - number of supporting files: 2
+2024-12-09 10:29:15,659 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:15,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:15,659 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:15,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,676 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,676 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:15,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:15,676 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:15,676 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:15,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,677 - INFO - number of orbitals:  55
+2024-12-09 10:29:15,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,677 - INFO - moving on ...
+2024-12-09 10:29:15,677 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:15,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,679 - INFO - number of orbitals:  30
+2024-12-09 10:29:15,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,679 - INFO - moving on ...
+2024-12-09 10:29:15,679 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:15,680 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:15,680 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:15,681 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,681 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:15,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,682 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,682 - INFO - moving on ...
+2024-12-09 10:29:15,682 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:15,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,683 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,683 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,683 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,683 - INFO - moving on ...
+2024-12-09 10:29:15,683 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:15,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,685 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,685 - INFO - moving on ...
+2024-12-09 10:29:15,685 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:15,686 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:15,686 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:15,686 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,686 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:15,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,687 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,687 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,687 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,687 - INFO - moving on ...
+2024-12-09 10:29:15,687 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:15,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,689 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,689 - INFO - moving on ...
+2024-12-09 10:29:15,689 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:15,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,690 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,690 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,690 - INFO - moving on ...
+2024-12-09 10:29:15,690 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:15,692 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:15,692 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:15,692 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,692 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:15,692 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,692 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,692 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,693 - INFO - number of orbitals:  45
+2024-12-09 10:29:15,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,694 - INFO - moving on ...
+2024-12-09 10:29:15,694 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:15,694 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,694 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,694 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,696 - INFO - number of orbitals:  53
+2024-12-09 10:29:15,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,696 - INFO - moving on ...
+2024-12-09 10:29:15,696 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:15,696 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,696 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,696 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,698 - INFO - number of orbitals:  58
+2024-12-09 10:29:15,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,698 - INFO - moving on ...
+2024-12-09 10:29:15,698 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:15,698 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,698 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,698 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,699 - INFO - number of orbitals:  44
+2024-12-09 10:29:15,700 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,700 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,700 - INFO - moving on ...
+2024-12-09 10:29:15,700 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:15,700 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,700 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,700 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,701 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,701 - INFO - moving on ...
+2024-12-09 10:29:15,702 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:15,702 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,703 - INFO - number of orbitals:  55
+2024-12-09 10:29:15,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,703 - INFO - moving on ...
+2024-12-09 10:29:15,703 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:15,704 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,704 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,704 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,705 - INFO - number of orbitals:  44
+2024-12-09 10:29:15,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,705 - INFO - moving on ...
+2024-12-09 10:29:15,705 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:15,706 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,706 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,706 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,707 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,707 - INFO - moving on ...
+2024-12-09 10:29:15,707 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:15,707 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,708 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,708 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,709 - INFO - number of orbitals:  55
+2024-12-09 10:29:15,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,709 - INFO - moving on ...
+2024-12-09 10:29:15,710 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:15,711 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:15,711 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:15,711 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,711 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:15,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,713 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,713 - INFO - moving on ...
+2024-12-09 10:29:15,713 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:15,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,715 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,715 - INFO - moving on ...
+2024-12-09 10:29:15,715 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:15,716 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:15,716 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:15,716 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,716 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:15,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,718 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,718 - INFO - moving on ...
+2024-12-09 10:29:15,718 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:15,718 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:15,719 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:15,719 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,719 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:15,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,720 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,720 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,720 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,720 - INFO - moving on ...
+2024-12-09 10:29:15,720 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:15,721 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:15,721 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:15,721 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,721 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:15,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,722 - INFO - number of orbitals:  33
+2024-12-09 10:29:15,722 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,722 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,722 - INFO - moving on ...
+2024-12-09 10:29:15,722 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:15,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,724 - INFO - number of orbitals:  74
+2024-12-09 10:29:15,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,724 - INFO - moving on ...
+2024-12-09 10:29:15,724 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:15,725 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:15,725 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:15,725 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,725 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:15,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,726 - INFO - number of orbitals:  38
+2024-12-09 10:29:15,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,726 - INFO - moving on ...
+2024-12-09 10:29:15,726 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:15,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,727 - INFO - number of orbitals:  90
+2024-12-09 10:29:15,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,727 - INFO - moving on ...
+2024-12-09 10:29:15,727 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:15,728 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:15,728 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:15,728 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,728 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:15,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,730 - INFO - number of orbitals:  69
+2024-12-09 10:29:15,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,730 - INFO - moving on ...
+2024-12-09 10:29:15,730 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:15,731 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:15,731 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:15,731 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,731 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:15,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,732 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,732 - INFO - moving on ...
+2024-12-09 10:29:15,732 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:15,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,733 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,734 - INFO - moving on ...
+2024-12-09 10:29:15,734 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:15,734 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:15,735 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:15,735 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,735 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:15,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,736 - INFO - number of orbitals:  47
+2024-12-09 10:29:15,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,736 - INFO - moving on ...
+2024-12-09 10:29:15,736 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:15,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,737 - INFO - number of orbitals:  106
+2024-12-09 10:29:15,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,737 - INFO - moving on ...
+2024-12-09 10:29:15,738 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:15,738 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:15,738 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:15,738 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,738 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:15,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,740 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,740 - INFO - moving on ...
+2024-12-09 10:29:15,740 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:15,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,741 - INFO - number of orbitals:  118
+2024-12-09 10:29:15,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,741 - INFO - moving on ...
+2024-12-09 10:29:15,741 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:15,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,742 - INFO - number of orbitals:  68
+2024-12-09 10:29:15,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,743 - INFO - moving on ...
+2024-12-09 10:29:15,743 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:15,745 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:15,745 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:15,745 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,745 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:15,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,746 - INFO - number of orbitals:  32
+2024-12-09 10:29:15,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,746 - INFO - moving on ...
+2024-12-09 10:29:15,746 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:15,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,748 - INFO - number of orbitals:  114
+2024-12-09 10:29:15,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,748 - INFO - moving on ...
+2024-12-09 10:29:15,748 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:15,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,749 - INFO - number of orbitals:  64
+2024-12-09 10:29:15,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,749 - INFO - moving on ...
+2024-12-09 10:29:15,749 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:15,750 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:15,750 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:15,750 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,750 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:15,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,751 - INFO - number of orbitals:  24
+2024-12-09 10:29:15,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,751 - INFO - moving on ...
+2024-12-09 10:29:15,751 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:15,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,753 - INFO - number of orbitals:  115
+2024-12-09 10:29:15,753 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,753 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,753 - INFO - moving on ...
+2024-12-09 10:29:15,753 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:15,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,754 - INFO - number of orbitals:  58
+2024-12-09 10:29:15,754 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,754 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,754 - INFO - moving on ...
+2024-12-09 10:29:15,754 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:15,756 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:15,756 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:15,756 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,756 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:15,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,757 - INFO - number of orbitals:  37
+2024-12-09 10:29:15,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,757 - INFO - moving on ...
+2024-12-09 10:29:15,757 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:15,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,758 - INFO - number of orbitals:  78
+2024-12-09 10:29:15,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,759 - INFO - moving on ...
+2024-12-09 10:29:15,759 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:15,760 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:15,760 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:15,760 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,760 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:15,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,761 - INFO - number of orbitals:  58
+2024-12-09 10:29:15,761 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,761 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,761 - INFO - moving on ...
+2024-12-09 10:29:15,761 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:15,762 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:15,762 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:15,762 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,762 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:15,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,763 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,763 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,763 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:15,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:15,763 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:15,780 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,780 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,780 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:15,781 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:15,782 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:15,782 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,782 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:15,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,783 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,783 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,783 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,783 - INFO - moving on ...
+2024-12-09 10:29:15,783 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:15,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,785 - INFO - number of orbitals:  86
+2024-12-09 10:29:15,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,785 - INFO - moving on ...
+2024-12-09 10:29:15,785 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:15,786 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:15,786 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:15,786 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,786 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:15,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,788 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,788 - INFO - moving on ...
+2024-12-09 10:29:15,788 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:15,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,789 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,790 - INFO - moving on ...
+2024-12-09 10:29:15,790 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:15,790 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:15,790 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:15,791 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,791 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:15,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,792 - INFO - number of orbitals:  31
+2024-12-09 10:29:15,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,792 - INFO - moving on ...
+2024-12-09 10:29:15,792 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:15,793 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:15,793 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:15,793 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,793 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:15,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,794 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,795 - INFO - moving on ...
+2024-12-09 10:29:15,795 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:15,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,796 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,796 - INFO - moving on ...
+2024-12-09 10:29:15,796 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:15,797 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:15,797 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:15,797 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,797 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:15,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,798 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,798 - INFO - moving on ...
+2024-12-09 10:29:15,798 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:15,799 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:15,799 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:15,799 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,799 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:15,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,801 - INFO - number of orbitals:  69
+2024-12-09 10:29:15,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,801 - INFO - moving on ...
+2024-12-09 10:29:15,801 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:15,802 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:15,802 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:15,802 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,802 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:15,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,803 - INFO - number of orbitals:  48
+2024-12-09 10:29:15,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,804 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,804 - INFO - moving on ...
+2024-12-09 10:29:15,804 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:15,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,805 - INFO - number of orbitals:  116
+2024-12-09 10:29:15,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,805 - INFO - moving on ...
+2024-12-09 10:29:15,805 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:15,806 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:15,806 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:15,806 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,806 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:15,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,807 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,807 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,807 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,807 - INFO - moving on ...
+2024-12-09 10:29:15,807 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:15,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,809 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,809 - INFO - moving on ...
+2024-12-09 10:29:15,809 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:15,810 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:15,810 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:15,810 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,810 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:15,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,811 - INFO - number of orbitals:  38
+2024-12-09 10:29:15,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,811 - INFO - moving on ...
+2024-12-09 10:29:15,811 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:15,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,812 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,812 - INFO - moving on ...
+2024-12-09 10:29:15,812 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:15,813 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:15,814 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:15,814 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,814 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:15,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,815 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,815 - INFO - moving on ...
+2024-12-09 10:29:15,815 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:15,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,816 - INFO - number of orbitals:  110
+2024-12-09 10:29:15,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,816 - INFO - moving on ...
+2024-12-09 10:29:15,816 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:15,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,818 - INFO - number of orbitals:  60
+2024-12-09 10:29:15,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,818 - INFO - moving on ...
+2024-12-09 10:29:15,818 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:15,819 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:15,819 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:15,819 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,819 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:15,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,820 - INFO - number of orbitals:  54
+2024-12-09 10:29:15,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,820 - INFO - moving on ...
+2024-12-09 10:29:15,820 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:15,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,822 - INFO - number of orbitals:  135
+2024-12-09 10:29:15,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,822 - INFO - moving on ...
+2024-12-09 10:29:15,822 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:15,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,823 - INFO - number of orbitals:  88
+2024-12-09 10:29:15,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,823 - INFO - moving on ...
+2024-12-09 10:29:15,823 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:15,824 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:15,824 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:15,824 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,824 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:15,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,826 - INFO - number of orbitals:  28
+2024-12-09 10:29:15,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,826 - INFO - moving on ...
+2024-12-09 10:29:15,826 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:15,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,827 - INFO - number of orbitals:  119
+2024-12-09 10:29:15,827 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,827 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,827 - INFO - moving on ...
+2024-12-09 10:29:15,827 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:15,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,829 - INFO - number of orbitals:  62
+2024-12-09 10:29:15,829 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,829 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,829 - INFO - moving on ...
+2024-12-09 10:29:15,829 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:15,830 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:15,830 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:15,830 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,830 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:15,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,832 - INFO - number of orbitals:  32
+2024-12-09 10:29:15,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,832 - INFO - moving on ...
+2024-12-09 10:29:15,832 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:15,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,833 - INFO - number of orbitals:  64
+2024-12-09 10:29:15,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,833 - INFO - moving on ...
+2024-12-09 10:29:15,833 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:15,834 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:15,834 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:15,834 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,835 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:15,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,836 - INFO - number of orbitals:  52
+2024-12-09 10:29:15,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,836 - INFO - moving on ...
+2024-12-09 10:29:15,836 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:15,837 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:15,837 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:15,837 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,837 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:15,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,839 - INFO - number of orbitals:  23
+2024-12-09 10:29:15,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,839 - INFO - moving on ...
+2024-12-09 10:29:15,839 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:15,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,840 - INFO - number of orbitals:  89
+2024-12-09 10:29:15,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,840 - INFO - moving on ...
+2024-12-09 10:29:15,840 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:15,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,842 - INFO - number of orbitals:  48
+2024-12-09 10:29:15,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,842 - INFO - moving on ...
+2024-12-09 10:29:15,842 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:15,843 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:15,843 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:15,843 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,843 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:15,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,844 - INFO - number of orbitals:  46
+2024-12-09 10:29:15,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,845 - INFO - moving on ...
+2024-12-09 10:29:15,845 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:15,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,846 - INFO - number of orbitals:  94
+2024-12-09 10:29:15,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,846 - INFO - moving on ...
+2024-12-09 10:29:15,846 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:15,847 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:15,847 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:15,847 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,847 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:15,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,848 - INFO - number of orbitals:  70
+2024-12-09 10:29:15,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,848 - INFO - moving on ...
+2024-12-09 10:29:15,848 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:15,849 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:15,849 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:15,849 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,850 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:15,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,851 - INFO - number of orbitals:  22
+2024-12-09 10:29:15,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,851 - INFO - moving on ...
+2024-12-09 10:29:15,851 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:15,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,852 - INFO - number of orbitals:  79
+2024-12-09 10:29:15,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,852 - INFO - moving on ...
+2024-12-09 10:29:15,852 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:15,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,853 - INFO - number of orbitals:  45
+2024-12-09 10:29:15,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,853 - INFO - moving on ...
+2024-12-09 10:29:15,853 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:15,855 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:15,855 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:15,855 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,855 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:15,855 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,855 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,855 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,857 - INFO - number of orbitals:  42
+2024-12-09 10:29:15,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,857 - INFO - moving on ...
+2024-12-09 10:29:15,857 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:15,857 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,857 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,857 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,859 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,859 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,859 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:15,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:15,859 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:15,875 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,875 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,875 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:15,875 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,875 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,875 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,877 - INFO - number of orbitals:  90
+2024-12-09 10:29:15,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,877 - INFO - moving on ...
+2024-12-09 10:29:15,877 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:15,877 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,877 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,877 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,879 - INFO - number of orbitals:  42
+2024-12-09 10:29:15,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,879 - INFO - moving on ...
+2024-12-09 10:29:15,879 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:15,879 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,879 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,879 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,881 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,881 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,881 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:15,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:15,881 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:15,896 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,897 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,897 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:15,897 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,897 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,897 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,899 - INFO - number of orbitals:  90
+2024-12-09 10:29:15,899 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,899 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,899 - INFO - moving on ...
+2024-12-09 10:29:15,899 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:15,900 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:15,901 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:15,901 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,901 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:15,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,902 - INFO - number of orbitals:  24
+2024-12-09 10:29:15,902 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,902 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,902 - INFO - moving on ...
+2024-12-09 10:29:15,902 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:15,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,903 - INFO - number of orbitals:  115
+2024-12-09 10:29:15,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,903 - INFO - moving on ...
+2024-12-09 10:29:15,903 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:15,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,905 - INFO - number of orbitals:  58
+2024-12-09 10:29:15,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,905 - INFO - moving on ...
+2024-12-09 10:29:15,905 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:15,906 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:15,906 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:15,906 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,906 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:15,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,907 - INFO - number of orbitals:  76
+2024-12-09 10:29:15,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,907 - INFO - moving on ...
+2024-12-09 10:29:15,907 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:15,908 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:15,908 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:15,908 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,908 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:15,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,909 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,909 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,909 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:15,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:15,909 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:15,925 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,926 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,926 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:15,927 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:15,927 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:15,927 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,927 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:15,927 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,927 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,927 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,930 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,930 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:15,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:15,930 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:15,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,947 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,948 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:15,948 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,948 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,948 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,950 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,950 - INFO - moving on ...
+2024-12-09 10:29:15,950 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:15,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,950 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,950 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,952 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,952 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:15,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:15,952 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:15,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,969 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,969 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:15,969 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,969 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,969 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,971 - INFO - number of orbitals:  36
+2024-12-09 10:29:15,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,971 - INFO - moving on ...
+2024-12-09 10:29:15,971 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:15,972 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,972 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,972 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,973 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:15,974 - INFO - number of supporting files: 1
+2024-12-09 10:29:15,974 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:15,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:15,974 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:15,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:15,992 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:15,992 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:15,992 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,992 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,992 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,994 - INFO - number of orbitals:  34
+2024-12-09 10:29:15,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,994 - INFO - moving on ...
+2024-12-09 10:29:15,995 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:15,997 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:15,997 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:15,997 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:15,997 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:15,997 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,997 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,997 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:15,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:15,999 - INFO - number of orbitals:  69
+2024-12-09 10:29:15,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:15,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:15,999 - INFO - moving on ...
+2024-12-09 10:29:15,999 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:15,999 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:15,999 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:15,999 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,001 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,001 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,001 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,002 - INFO - moving on ...
+2024-12-09 10:29:16,002 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:16,002 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,002 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,002 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,003 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,003 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,004 - INFO - moving on ...
+2024-12-09 10:29:16,004 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:16,005 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:16,005 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:16,005 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,005 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:16,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,006 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,006 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,006 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,006 - INFO - moving on ...
+2024-12-09 10:29:16,006 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:16,008 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:16,008 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:16,008 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,008 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:16,008 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,008 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,008 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,010 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,010 - INFO - moving on ...
+2024-12-09 10:29:16,010 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:16,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,012 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,012 - INFO - moving on ...
+2024-12-09 10:29:16,012 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:16,012 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,012 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,012 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,014 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,014 - INFO - moving on ...
+2024-12-09 10:29:16,014 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:16,014 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,014 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,014 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,016 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,016 - INFO - moving on ...
+2024-12-09 10:29:16,016 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:16,016 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,016 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,016 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,018 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,018 - INFO - moving on ...
+2024-12-09 10:29:16,018 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:16,018 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,018 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,018 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,020 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,020 - INFO - moving on ...
+2024-12-09 10:29:16,020 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:16,020 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,020 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,020 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,022 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,022 - INFO - moving on ...
+2024-12-09 10:29:16,022 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:16,022 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,022 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,022 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,024 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,024 - INFO - moving on ...
+2024-12-09 10:29:16,024 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:16,024 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,024 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,024 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,025 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,026 - INFO - moving on ...
+2024-12-09 10:29:16,026 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:16,026 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,026 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,026 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,027 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,027 - INFO - moving on ...
+2024-12-09 10:29:16,027 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:16,027 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,028 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,028 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,029 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,029 - INFO - moving on ...
+2024-12-09 10:29:16,029 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:16,029 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,029 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,029 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,031 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,031 - INFO - moving on ...
+2024-12-09 10:29:16,031 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:16,031 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,031 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,031 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,033 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,033 - INFO - moving on ...
+2024-12-09 10:29:16,033 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:16,033 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,033 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,033 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,035 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,035 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,035 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,035 - INFO - moving on ...
+2024-12-09 10:29:16,035 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:16,035 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,035 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,035 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,036 - INFO - number of orbitals:  25
+2024-12-09 10:29:16,036 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,036 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,036 - INFO - moving on ...
+2024-12-09 10:29:16,037 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:16,037 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,037 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,037 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,038 - INFO - number of orbitals:  39
+2024-12-09 10:29:16,038 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,038 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,038 - INFO - moving on ...
+2024-12-09 10:29:16,038 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:16,040 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:16,040 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:16,040 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,040 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:16,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,041 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,041 - INFO - moving on ...
+2024-12-09 10:29:16,041 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:16,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,043 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
+2024-12-09 10:29:16,043 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,043 - INFO - moving on ...
+2024-12-09 10:29:16,043 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:16,043 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:16,043 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:16,043 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,043 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:16,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,044 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,044 - INFO - moving on ...
+2024-12-09 10:29:16,044 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:16,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,045 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,046 - INFO - moving on ...
+2024-12-09 10:29:16,046 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:16,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,047 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,047 - INFO - moving on ...
+2024-12-09 10:29:16,047 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:16,047 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:16,047 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:16,047 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,047 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:16,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,048 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,048 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,048 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,048 - INFO - moving on ...
+2024-12-09 10:29:16,048 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:16,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,050 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,050 - INFO - moving on ...
+2024-12-09 10:29:16,050 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:16,050 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:16,050 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:16,050 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,050 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:16,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,051 - INFO - number of orbitals:  66
+2024-12-09 10:29:16,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,051 - INFO - moving on ...
+2024-12-09 10:29:16,051 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:16,052 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:16,052 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:16,052 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,052 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:16,052 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,052 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,052 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,053 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,054 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:16,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:16,054 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:16,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,070 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,070 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:16,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,072 - INFO - number of orbitals:  22
+2024-12-09 10:29:16,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,072 - INFO - moving on ...
+2024-12-09 10:29:16,072 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:16,072 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,072 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,072 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,074 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,074 - INFO - moving on ...
+2024-12-09 10:29:16,074 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:16,074 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,074 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,074 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,076 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,076 - INFO - moving on ...
+2024-12-09 10:29:16,076 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:16,076 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,076 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,076 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,078 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,078 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,078 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:16,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:16,078 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:16,093 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,094 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,094 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:16,094 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,094 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,094 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,095 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,096 - INFO - number of orbitals:  22
+2024-12-09 10:29:16,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,096 - INFO - moving on ...
+2024-12-09 10:29:16,096 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:16,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,098 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,098 - INFO - moving on ...
+2024-12-09 10:29:16,098 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:16,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,098 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,098 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,100 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,100 - INFO - moving on ...
+2024-12-09 10:29:16,100 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:16,100 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,100 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,100 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,101 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,101 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:16,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:16,102 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:16,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,117 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,118 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:16,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,119 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,120 - INFO - moving on ...
+2024-12-09 10:29:16,120 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:16,120 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,120 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,120 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,121 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,121 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,121 - INFO - moving on ...
+2024-12-09 10:29:16,122 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:16,122 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,122 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,122 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,123 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,123 - INFO - moving on ...
+2024-12-09 10:29:16,123 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:16,123 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:16,124 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:16,124 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,124 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:16,124 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,124 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,124 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,125 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,125 - INFO - moving on ...
+2024-12-09 10:29:16,125 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:16,125 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,126 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,126 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,127 - INFO - number of orbitals:  108
+2024-12-09 10:29:16,127 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,127 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,127 - INFO - moving on ...
+2024-12-09 10:29:16,127 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:16,127 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:16,127 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:16,127 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,128 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:16,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,129 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,129 - INFO - moving on ...
+2024-12-09 10:29:16,129 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:16,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,130 - INFO - number of orbitals:  135
+2024-12-09 10:29:16,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,130 - INFO - moving on ...
+2024-12-09 10:29:16,130 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:16,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,131 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,131 - INFO - moving on ...
+2024-12-09 10:29:16,131 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:16,131 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:16,131 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:16,132 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,132 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:16,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,133 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,133 - INFO - moving on ...
+2024-12-09 10:29:16,133 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:16,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,134 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,134 - INFO - moving on ...
+2024-12-09 10:29:16,134 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:16,134 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:16,134 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:16,134 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,134 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:16,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,136 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,136 - INFO - moving on ...
+2024-12-09 10:29:16,136 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:16,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,137 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,137 - INFO - moving on ...
+2024-12-09 10:29:16,137 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:16,137 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:16,137 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:16,137 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,137 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:16,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,138 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,139 - INFO - moving on ...
+2024-12-09 10:29:16,139 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:16,139 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:16,139 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:16,139 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,139 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:16,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,140 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,140 - INFO - moving on ...
+2024-12-09 10:29:16,140 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:16,140 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:16,140 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:16,140 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,140 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:16,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,142 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,142 - INFO - moving on ...
+2024-12-09 10:29:16,142 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:16,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,143 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,143 - INFO - moving on ...
+2024-12-09 10:29:16,143 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:16,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,144 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,144 - INFO - moving on ...
+2024-12-09 10:29:16,144 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:16,145 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:16,145 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:16,145 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,145 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:16,145 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,145 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,145 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,147 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,147 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,147 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:16,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:16,147 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:16,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,163 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,163 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:16,163 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,163 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,163 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,165 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,165 - INFO - moving on ...
+2024-12-09 10:29:16,165 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:16,165 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,166 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,166 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,168 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,168 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:16,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:16,168 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:16,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,185 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,185 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:16,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,187 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,188 - INFO - moving on ...
+2024-12-09 10:29:16,188 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:16,188 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,190 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,190 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:16,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:16,190 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:16,206 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,206 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,206 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:16,206 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,206 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,206 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,208 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,208 - INFO - moving on ...
+2024-12-09 10:29:16,208 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:16,208 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,209 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,209 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,210 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,210 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,210 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:16,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:16,211 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:16,226 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,227 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,227 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:16,227 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,227 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,227 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,229 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,229 - INFO - moving on ...
+2024-12-09 10:29:16,229 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:16,229 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:16,230 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:16,230 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,230 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:16,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,231 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,231 - INFO - moving on ...
+2024-12-09 10:29:16,231 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:16,231 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:16,231 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:16,231 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,231 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:16,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,233 - INFO - number of orbitals:  33
+2024-12-09 10:29:16,233 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,233 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,233 - INFO - moving on ...
+2024-12-09 10:29:16,233 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:16,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,234 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,234 - INFO - moving on ...
+2024-12-09 10:29:16,234 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:16,234 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:16,234 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:16,234 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,234 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:16,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,235 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,236 - INFO - moving on ...
+2024-12-09 10:29:16,236 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:16,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,237 - INFO - number of orbitals:  119
+2024-12-09 10:29:16,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,237 - INFO - moving on ...
+2024-12-09 10:29:16,237 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:16,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,238 - INFO - number of orbitals:  62
+2024-12-09 10:29:16,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,238 - INFO - moving on ...
+2024-12-09 10:29:16,238 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:16,238 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:16,238 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:16,238 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,238 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:16,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,240 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,240 - INFO - moving on ...
+2024-12-09 10:29:16,240 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:16,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,241 - INFO - number of orbitals:  135
+2024-12-09 10:29:16,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,241 - INFO - moving on ...
+2024-12-09 10:29:16,241 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:16,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,242 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,243 - INFO - moving on ...
+2024-12-09 10:29:16,243 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:16,243 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:16,243 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:16,243 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,243 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:16,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,244 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,244 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,244 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,244 - INFO - moving on ...
+2024-12-09 10:29:16,244 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:16,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,245 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,245 - INFO - moving on ...
+2024-12-09 10:29:16,245 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:16,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,247 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,247 - INFO - moving on ...
+2024-12-09 10:29:16,247 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:16,247 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:16,247 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:16,247 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,247 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:16,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,248 - INFO - number of orbitals:  38
+2024-12-09 10:29:16,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,248 - INFO - moving on ...
+2024-12-09 10:29:16,248 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:16,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,249 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,250 - INFO - moving on ...
+2024-12-09 10:29:16,250 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:16,250 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:16,250 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:16,250 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,250 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:16,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,251 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,251 - INFO - moving on ...
+2024-12-09 10:29:16,251 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:16,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,252 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,252 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,252 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,253 - INFO - moving on ...
+2024-12-09 10:29:16,253 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:16,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,254 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,254 - INFO - moving on ...
+2024-12-09 10:29:16,254 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:16,254 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:16,254 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:16,254 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,254 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:16,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,255 - INFO - number of orbitals:  38
+2024-12-09 10:29:16,255 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,255 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,255 - INFO - moving on ...
+2024-12-09 10:29:16,255 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:16,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,257 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,257 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,257 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,257 - INFO - moving on ...
+2024-12-09 10:29:16,257 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:16,257 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:16,257 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:16,257 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,257 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:16,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,258 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,258 - INFO - moving on ...
+2024-12-09 10:29:16,258 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:16,259 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:16,259 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:16,259 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,259 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:16,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,260 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,260 - INFO - moving on ...
+2024-12-09 10:29:16,260 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:16,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,261 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,261 - INFO - moving on ...
+2024-12-09 10:29:16,261 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:16,261 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:16,261 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:16,261 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,261 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:16,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,263 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,263 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,263 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:16,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:16,263 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:16,279 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,279 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,279 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:16,279 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:16,280 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:16,280 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,280 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:16,280 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,280 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,280 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,282 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,282 - INFO - moving on ...
+2024-12-09 10:29:16,282 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:16,282 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,282 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,282 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,284 - INFO - number of orbitals:  46
+2024-12-09 10:29:16,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,284 - INFO - moving on ...
+2024-12-09 10:29:16,284 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:16,284 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,284 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,284 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,286 - INFO - number of orbitals:  46
+2024-12-09 10:29:16,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,286 - INFO - moving on ...
+2024-12-09 10:29:16,286 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:16,286 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,286 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,286 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,288 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,288 - INFO - moving on ...
+2024-12-09 10:29:16,288 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:16,288 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:16,288 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:16,288 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,288 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:16,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,289 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,289 - INFO - number of supporting files: 2
+2024-12-09 10:29:16,289 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:16,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:16,289 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:16,304 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,304 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,305 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:16,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:16,305 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:16,305 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:16,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,306 - INFO - number of orbitals:  85
+2024-12-09 10:29:16,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,306 - INFO - moving on ...
+2024-12-09 10:29:16,306 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:16,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,307 - INFO - number of orbitals:  44
+2024-12-09 10:29:16,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,307 - INFO - moving on ...
+2024-12-09 10:29:16,308 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:16,308 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:16,308 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:16,308 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,308 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:16,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,309 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,309 - INFO - moving on ...
+2024-12-09 10:29:16,309 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:16,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,310 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,310 - INFO - moving on ...
+2024-12-09 10:29:16,310 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:16,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,311 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,311 - INFO - moving on ...
+2024-12-09 10:29:16,312 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:16,312 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:16,312 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:16,312 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,312 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:16,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,313 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,313 - INFO - number of supporting files: 2
+2024-12-09 10:29:16,313 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:16,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:16,313 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:16,329 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,329 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,329 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:16,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:16,329 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:16,329 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:16,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,331 - INFO - number of orbitals:  85
+2024-12-09 10:29:16,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,331 - INFO - moving on ...
+2024-12-09 10:29:16,331 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:16,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,332 - INFO - number of orbitals:  44
+2024-12-09 10:29:16,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,332 - INFO - moving on ...
+2024-12-09 10:29:16,332 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:16,333 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:16,333 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:16,333 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,333 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:16,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,334 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,334 - INFO - moving on ...
+2024-12-09 10:29:16,334 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:16,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,336 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,336 - INFO - moving on ...
+2024-12-09 10:29:16,336 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:16,336 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:16,336 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:16,336 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,336 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:16,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,337 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,337 - INFO - moving on ...
+2024-12-09 10:29:16,337 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:16,337 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:16,337 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:16,338 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,338 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:16,338 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,338 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,338 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,339 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,339 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,339 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:16,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:16,340 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:16,359 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,360 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,360 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:16,360 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,360 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,360 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,362 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,362 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,362 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:16,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:16,362 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:16,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,378 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,378 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:16,378 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,378 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,378 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,380 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,380 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,380 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:16,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:16,380 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:16,396 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,396 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,396 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:16,396 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,396 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,396 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,398 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,398 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,398 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:16,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:16,398 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:16,414 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,415 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,415 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:16,415 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,415 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,415 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,417 - INFO - number of orbitals:  33
+2024-12-09 10:29:16,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,417 - INFO - moving on ...
+2024-12-09 10:29:16,417 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:16,417 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,417 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,417 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,419 - INFO - number of orbitals:  23
+2024-12-09 10:29:16,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,419 - INFO - moving on ...
+2024-12-09 10:29:16,419 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:16,419 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,419 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,419 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,421 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,421 - INFO - moving on ...
+2024-12-09 10:29:16,421 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:16,421 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,421 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,421 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,423 - INFO - number of orbitals:  21
+2024-12-09 10:29:16,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,423 - INFO - moving on ...
+2024-12-09 10:29:16,423 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:16,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,423 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,423 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,425 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,425 - INFO - moving on ...
+2024-12-09 10:29:16,425 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:16,425 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:16,425 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:16,425 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,425 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:16,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,426 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,426 - INFO - moving on ...
+2024-12-09 10:29:16,426 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:16,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,428 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,428 - INFO - moving on ...
+2024-12-09 10:29:16,428 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:16,428 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:16,428 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:16,428 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,428 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:16,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,429 - INFO - number of orbitals:  29
+2024-12-09 10:29:16,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,429 - INFO - moving on ...
+2024-12-09 10:29:16,429 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:16,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,430 - INFO - number of orbitals:  72
+2024-12-09 10:29:16,430 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,430 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,431 - INFO - moving on ...
+2024-12-09 10:29:16,431 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:16,431 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:16,431 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:16,431 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,431 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:16,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,432 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,432 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,432 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:16,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:16,432 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:16,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,448 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,448 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:16,448 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:16,448 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:16,448 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,448 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:16,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,450 - INFO - number of orbitals:  48
+2024-12-09 10:29:16,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,450 - INFO - moving on ...
+2024-12-09 10:29:16,450 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:16,450 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:16,450 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:16,450 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,450 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:16,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,451 - INFO - number of orbitals:  48
+2024-12-09 10:29:16,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,451 - INFO - moving on ...
+2024-12-09 10:29:16,451 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:16,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,452 - INFO - number of orbitals:  116
+2024-12-09 10:29:16,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,452 - INFO - moving on ...
+2024-12-09 10:29:16,453 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:16,453 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:16,453 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:16,453 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,453 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:16,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,454 - INFO - number of orbitals:  22
+2024-12-09 10:29:16,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,454 - INFO - moving on ...
+2024-12-09 10:29:16,454 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:16,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,455 - INFO - number of orbitals:  79
+2024-12-09 10:29:16,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,455 - INFO - moving on ...
+2024-12-09 10:29:16,455 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:16,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,457 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,457 - INFO - moving on ...
+2024-12-09 10:29:16,457 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:16,457 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:16,457 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:16,457 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,457 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:16,457 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,457 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,457 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,459 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,459 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,459 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:16,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:16,459 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:16,475 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,475 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,475 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:16,475 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,475 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,475 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,477 - INFO - number of orbitals:  26
+2024-12-09 10:29:16,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,477 - INFO - moving on ...
+2024-12-09 10:29:16,477 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:16,477 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,478 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,478 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,480 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,480 - INFO - moving on ...
+2024-12-09 10:29:16,480 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:16,480 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,480 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,480 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,482 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,482 - INFO - moving on ...
+2024-12-09 10:29:16,482 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:16,482 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,482 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,482 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,484 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,484 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,484 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:16,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:16,484 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:16,498 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,499 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,499 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:16,499 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,499 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,499 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,501 - INFO - number of orbitals:  26
+2024-12-09 10:29:16,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,501 - INFO - moving on ...
+2024-12-09 10:29:16,501 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:16,501 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,501 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,501 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,503 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,503 - INFO - moving on ...
+2024-12-09 10:29:16,503 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:16,503 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,503 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,503 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,505 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,505 - INFO - moving on ...
+2024-12-09 10:29:16,505 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:16,505 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,505 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,505 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,506 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,507 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,507 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:16,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:16,507 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:16,522 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,523 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,523 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:16,523 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,523 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,523 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,525 - INFO - number of orbitals:  26
+2024-12-09 10:29:16,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,525 - INFO - moving on ...
+2024-12-09 10:29:16,525 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:16,525 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,525 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,525 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,527 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,527 - INFO - moving on ...
+2024-12-09 10:29:16,527 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:16,527 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,527 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,527 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,529 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,529 - INFO - moving on ...
+2024-12-09 10:29:16,529 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:16,529 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:16,529 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:16,529 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,529 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:16,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,530 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,530 - INFO - number of supporting files: 2
+2024-12-09 10:29:16,530 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:16,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:16,531 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:16,545 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,546 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,546 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:16,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:16,546 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:16,546 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:16,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,547 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,547 - INFO - moving on ...
+2024-12-09 10:29:16,547 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:16,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,548 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,548 - INFO - moving on ...
+2024-12-09 10:29:16,548 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:16,549 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:16,549 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:16,549 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,549 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:16,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,550 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,550 - INFO - moving on ...
+2024-12-09 10:29:16,550 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:16,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,551 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,551 - INFO - moving on ...
+2024-12-09 10:29:16,551 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:16,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,552 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,553 - INFO - moving on ...
+2024-12-09 10:29:16,553 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:16,553 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:16,553 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:16,553 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,553 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:16,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,554 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,554 - INFO - moving on ...
+2024-12-09 10:29:16,554 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:16,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,555 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,555 - INFO - moving on ...
+2024-12-09 10:29:16,555 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:16,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,557 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,557 - INFO - moving on ...
+2024-12-09 10:29:16,557 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:16,557 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:16,557 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:16,557 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,557 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:16,557 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,557 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,557 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,559 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,559 - INFO - moving on ...
+2024-12-09 10:29:16,559 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:16,559 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,559 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,559 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,561 - INFO - number of orbitals:  53
+2024-12-09 10:29:16,561 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,561 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,561 - INFO - moving on ...
+2024-12-09 10:29:16,561 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:16,561 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,561 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,561 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,562 - INFO - number of orbitals:  58
+2024-12-09 10:29:16,563 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,563 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,563 - INFO - moving on ...
+2024-12-09 10:29:16,563 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:16,563 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,563 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,563 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,564 - INFO - number of orbitals:  44
+2024-12-09 10:29:16,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,564 - INFO - moving on ...
+2024-12-09 10:29:16,565 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:16,565 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,565 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,565 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,566 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,566 - INFO - moving on ...
+2024-12-09 10:29:16,566 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:16,566 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,567 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,567 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,568 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,568 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,568 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,568 - INFO - moving on ...
+2024-12-09 10:29:16,568 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:16,568 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,568 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,568 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,570 - INFO - number of orbitals:  44
+2024-12-09 10:29:16,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,570 - INFO - moving on ...
+2024-12-09 10:29:16,570 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:16,570 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,570 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,570 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,572 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,572 - INFO - moving on ...
+2024-12-09 10:29:16,572 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:16,572 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,572 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,572 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,574 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,574 - INFO - moving on ...
+2024-12-09 10:29:16,574 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:16,574 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:16,574 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:16,574 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,574 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:16,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,575 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,575 - INFO - moving on ...
+2024-12-09 10:29:16,575 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:16,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,576 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,577 - INFO - moving on ...
+2024-12-09 10:29:16,577 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:16,577 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:16,577 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:16,577 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,577 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:16,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,578 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,578 - INFO - moving on ...
+2024-12-09 10:29:16,578 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:16,578 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:16,578 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:16,578 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,578 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:16,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,580 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,580 - INFO - moving on ...
+2024-12-09 10:29:16,580 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:16,580 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:16,580 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:16,580 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,580 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:16,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,581 - INFO - number of orbitals:  33
+2024-12-09 10:29:16,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,581 - INFO - moving on ...
+2024-12-09 10:29:16,581 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:16,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,582 - INFO - number of orbitals:  74
+2024-12-09 10:29:16,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,582 - INFO - moving on ...
+2024-12-09 10:29:16,582 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:16,583 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:16,583 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:16,583 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,583 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:16,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,584 - INFO - number of orbitals:  38
+2024-12-09 10:29:16,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,584 - INFO - moving on ...
+2024-12-09 10:29:16,584 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:16,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,585 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,585 - INFO - moving on ...
+2024-12-09 10:29:16,585 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:16,585 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:16,585 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:16,585 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,585 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:16,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,586 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,587 - INFO - moving on ...
+2024-12-09 10:29:16,587 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:16,587 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:16,587 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:16,587 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,587 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:16,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,588 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,588 - INFO - moving on ...
+2024-12-09 10:29:16,588 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:16,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,589 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,589 - INFO - moving on ...
+2024-12-09 10:29:16,589 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:16,590 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:16,590 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:16,590 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,590 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:16,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,591 - INFO - number of orbitals:  47
+2024-12-09 10:29:16,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,591 - INFO - moving on ...
+2024-12-09 10:29:16,591 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:16,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,592 - INFO - number of orbitals:  106
+2024-12-09 10:29:16,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,592 - INFO - moving on ...
+2024-12-09 10:29:16,592 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:16,592 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:16,592 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:16,592 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,592 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:16,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,594 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,594 - INFO - moving on ...
+2024-12-09 10:29:16,594 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:16,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,595 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,595 - INFO - moving on ...
+2024-12-09 10:29:16,595 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:16,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,596 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,596 - INFO - moving on ...
+2024-12-09 10:29:16,596 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:16,596 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:16,596 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:16,597 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,597 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:16,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,598 - INFO - number of orbitals:  32
+2024-12-09 10:29:16,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,598 - INFO - moving on ...
+2024-12-09 10:29:16,598 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:16,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,599 - INFO - number of orbitals:  114
+2024-12-09 10:29:16,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,599 - INFO - moving on ...
+2024-12-09 10:29:16,599 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:16,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,600 - INFO - number of orbitals:  64
+2024-12-09 10:29:16,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,600 - INFO - moving on ...
+2024-12-09 10:29:16,600 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:16,601 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:16,601 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:16,601 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,601 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:16,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,602 - INFO - number of orbitals:  24
+2024-12-09 10:29:16,602 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,602 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,602 - INFO - moving on ...
+2024-12-09 10:29:16,602 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:16,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,603 - INFO - number of orbitals:  115
+2024-12-09 10:29:16,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,603 - INFO - moving on ...
+2024-12-09 10:29:16,603 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:16,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,604 - INFO - number of orbitals:  58
+2024-12-09 10:29:16,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,605 - INFO - moving on ...
+2024-12-09 10:29:16,605 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:16,605 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:16,605 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:16,605 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,605 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:16,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,606 - INFO - number of orbitals:  37
+2024-12-09 10:29:16,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,606 - INFO - moving on ...
+2024-12-09 10:29:16,606 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:16,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,607 - INFO - number of orbitals:  78
+2024-12-09 10:29:16,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,608 - INFO - moving on ...
+2024-12-09 10:29:16,608 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:16,608 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:16,608 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:16,608 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,608 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:16,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,609 - INFO - number of orbitals:  58
+2024-12-09 10:29:16,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,609 - INFO - moving on ...
+2024-12-09 10:29:16,609 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:16,609 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:16,609 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:16,609 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,609 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:16,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,610 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,611 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,611 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:16,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:16,611 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:16,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,626 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,627 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:16,627 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:16,627 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:16,627 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,627 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:16,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,628 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,628 - INFO - moving on ...
+2024-12-09 10:29:16,628 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:16,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,629 - INFO - number of orbitals:  86
+2024-12-09 10:29:16,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,630 - INFO - moving on ...
+2024-12-09 10:29:16,630 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:16,630 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:16,630 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:16,630 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,630 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:16,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,631 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,631 - INFO - moving on ...
+2024-12-09 10:29:16,631 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:16,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,632 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,632 - INFO - moving on ...
+2024-12-09 10:29:16,632 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:16,632 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:16,632 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:16,633 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,633 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:16,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,634 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,634 - INFO - moving on ...
+2024-12-09 10:29:16,634 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:16,634 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:16,634 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:16,634 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,634 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:16,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,635 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,635 - INFO - moving on ...
+2024-12-09 10:29:16,635 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:16,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,637 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,637 - INFO - moving on ...
+2024-12-09 10:29:16,637 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:16,637 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:16,637 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:16,637 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,637 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:16,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,638 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,638 - INFO - moving on ...
+2024-12-09 10:29:16,638 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:16,638 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:16,638 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:16,639 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,639 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:16,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,640 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,640 - INFO - moving on ...
+2024-12-09 10:29:16,640 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:16,640 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:16,640 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:16,640 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,640 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:16,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,641 - INFO - number of orbitals:  48
+2024-12-09 10:29:16,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,641 - INFO - moving on ...
+2024-12-09 10:29:16,641 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:16,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,643 - INFO - number of orbitals:  116
+2024-12-09 10:29:16,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,643 - INFO - moving on ...
+2024-12-09 10:29:16,643 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:16,643 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:16,643 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:16,643 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,643 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:16,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,644 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,644 - INFO - moving on ...
+2024-12-09 10:29:16,644 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:16,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,645 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,646 - INFO - moving on ...
+2024-12-09 10:29:16,646 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:16,646 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:16,646 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:16,646 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,646 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:16,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,647 - INFO - number of orbitals:  38
+2024-12-09 10:29:16,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,647 - INFO - moving on ...
+2024-12-09 10:29:16,647 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:16,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,648 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,648 - INFO - moving on ...
+2024-12-09 10:29:16,648 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:16,649 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:16,649 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:16,649 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,649 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:16,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,650 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,650 - INFO - moving on ...
+2024-12-09 10:29:16,650 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:16,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,651 - INFO - number of orbitals:  110
+2024-12-09 10:29:16,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,651 - INFO - moving on ...
+2024-12-09 10:29:16,651 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:16,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,652 - INFO - number of orbitals:  60
+2024-12-09 10:29:16,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,652 - INFO - moving on ...
+2024-12-09 10:29:16,652 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:16,653 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:16,653 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:16,653 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,653 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:16,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,654 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,654 - INFO - moving on ...
+2024-12-09 10:29:16,654 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:16,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,655 - INFO - number of orbitals:  135
+2024-12-09 10:29:16,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,655 - INFO - moving on ...
+2024-12-09 10:29:16,655 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:16,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,656 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,657 - INFO - moving on ...
+2024-12-09 10:29:16,657 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:16,657 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:16,657 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:16,657 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,657 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:16,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,658 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,658 - INFO - moving on ...
+2024-12-09 10:29:16,658 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:16,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,659 - INFO - number of orbitals:  119
+2024-12-09 10:29:16,660 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,660 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,660 - INFO - moving on ...
+2024-12-09 10:29:16,660 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:16,661 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,661 - INFO - number of orbitals:  62
+2024-12-09 10:29:16,661 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,661 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,661 - INFO - moving on ...
+2024-12-09 10:29:16,661 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:16,661 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:16,661 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:16,661 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,661 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:16,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,662 - INFO - number of orbitals:  32
+2024-12-09 10:29:16,662 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,662 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,662 - INFO - moving on ...
+2024-12-09 10:29:16,663 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:16,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,664 - INFO - number of orbitals:  64
+2024-12-09 10:29:16,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,664 - INFO - moving on ...
+2024-12-09 10:29:16,664 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:16,664 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:16,664 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:16,664 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,664 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:16,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,665 - INFO - number of orbitals:  52
+2024-12-09 10:29:16,665 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,665 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,665 - INFO - moving on ...
+2024-12-09 10:29:16,665 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:16,665 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:16,666 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:16,666 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,666 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:16,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,667 - INFO - number of orbitals:  23
+2024-12-09 10:29:16,667 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,667 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,667 - INFO - moving on ...
+2024-12-09 10:29:16,667 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:16,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,668 - INFO - number of orbitals:  89
+2024-12-09 10:29:16,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,668 - INFO - moving on ...
+2024-12-09 10:29:16,668 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:16,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,669 - INFO - number of orbitals:  48
+2024-12-09 10:29:16,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,670 - INFO - moving on ...
+2024-12-09 10:29:16,670 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:16,670 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:16,670 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:16,670 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,670 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:16,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,671 - INFO - number of orbitals:  46
+2024-12-09 10:29:16,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,671 - INFO - moving on ...
+2024-12-09 10:29:16,671 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:16,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,672 - INFO - number of orbitals:  94
+2024-12-09 10:29:16,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,672 - INFO - moving on ...
+2024-12-09 10:29:16,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:16,673 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:16,673 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:16,673 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,673 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:16,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,674 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,674 - INFO - moving on ...
+2024-12-09 10:29:16,674 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:16,674 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:16,674 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:16,674 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,674 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:16,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,676 - INFO - number of orbitals:  22
+2024-12-09 10:29:16,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,676 - INFO - moving on ...
+2024-12-09 10:29:16,676 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:16,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,677 - INFO - number of orbitals:  79
+2024-12-09 10:29:16,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,677 - INFO - moving on ...
+2024-12-09 10:29:16,677 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:16,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,678 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,678 - INFO - moving on ...
+2024-12-09 10:29:16,678 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:16,678 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:16,678 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:16,679 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,679 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:16,679 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,679 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,679 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,680 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,681 - INFO - moving on ...
+2024-12-09 10:29:16,681 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:16,681 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,681 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,681 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,682 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,682 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,683 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:16,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:16,683 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:16,699 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,699 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,699 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:16,700 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,700 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,700 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,702 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,702 - INFO - moving on ...
+2024-12-09 10:29:16,702 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:16,702 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,704 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,704 - INFO - moving on ...
+2024-12-09 10:29:16,704 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:16,704 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,704 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,704 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,706 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,706 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:16,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:16,706 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:16,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,722 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,727 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:16,727 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,727 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,727 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,729 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,729 - INFO - moving on ...
+2024-12-09 10:29:16,729 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:16,729 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:16,729 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:16,729 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,729 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:16,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,731 - INFO - number of orbitals:  24
+2024-12-09 10:29:16,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,731 - INFO - moving on ...
+2024-12-09 10:29:16,731 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:16,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,732 - INFO - number of orbitals:  115
+2024-12-09 10:29:16,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,732 - INFO - moving on ...
+2024-12-09 10:29:16,732 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:16,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,733 - INFO - number of orbitals:  58
+2024-12-09 10:29:16,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,733 - INFO - moving on ...
+2024-12-09 10:29:16,733 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:16,734 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:16,734 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:16,734 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,734 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:16,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,735 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,735 - INFO - moving on ...
+2024-12-09 10:29:16,735 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:16,735 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:16,735 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:16,735 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,735 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:16,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,736 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,736 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,737 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:16,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:16,737 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:16,753 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,753 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,753 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:16,753 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:16,753 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:16,754 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,754 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:16,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,754 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,754 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,756 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,756 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:16,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:16,756 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:16,772 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,772 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,772 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:16,772 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,773 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,773 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,774 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,775 - INFO - moving on ...
+2024-12-09 10:29:16,775 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:16,775 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,775 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,776 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,776 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,776 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:16,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:16,776 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:16,792 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,793 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,793 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:16,793 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,793 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,793 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,795 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,795 - INFO - moving on ...
+2024-12-09 10:29:16,795 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:16,795 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,795 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,797 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,797 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:16,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:16,797 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:16,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,814 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,814 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:16,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,816 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,816 - INFO - moving on ...
+2024-12-09 10:29:16,816 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:16,816 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:16,816 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:16,816 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,816 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:16,817 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,817 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,817 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,819 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,819 - INFO - moving on ...
+2024-12-09 10:29:16,819 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:16,819 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,819 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,819 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,821 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,821 - INFO - moving on ...
+2024-12-09 10:29:16,821 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:16,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,823 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,824 - INFO - moving on ...
+2024-12-09 10:29:16,824 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:16,824 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:16,824 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:16,824 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,824 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:16,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,825 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,825 - INFO - moving on ...
+2024-12-09 10:29:16,825 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:16,826 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:16,826 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:16,826 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,826 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:16,826 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,828 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,828 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,828 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,828 - INFO - moving on ...
+2024-12-09 10:29:16,828 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:16,828 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,828 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,828 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,831 - INFO - number of orbitals:  70
+2024-12-09 10:29:16,831 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,831 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,831 - INFO - moving on ...
+2024-12-09 10:29:16,831 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:16,831 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,831 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,831 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,833 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,834 - INFO - moving on ...
+2024-12-09 10:29:16,834 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:16,834 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,835 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,835 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,835 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,835 - INFO - moving on ...
+2024-12-09 10:29:16,835 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:16,835 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,835 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,836 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,837 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,837 - INFO - moving on ...
+2024-12-09 10:29:16,837 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:16,837 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,837 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,837 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,839 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,839 - INFO - moving on ...
+2024-12-09 10:29:16,839 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:16,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,839 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,839 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,841 - INFO - number of orbitals:  55
+2024-12-09 10:29:16,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,841 - INFO - moving on ...
+2024-12-09 10:29:16,841 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:16,841 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,841 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,841 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,843 - INFO - number of orbitals:  69
+2024-12-09 10:29:16,843 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,843 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,843 - INFO - moving on ...
+2024-12-09 10:29:16,843 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:16,843 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,843 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,843 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,845 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,845 - INFO - moving on ...
+2024-12-09 10:29:16,845 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:16,845 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,845 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,847 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,847 - INFO - moving on ...
+2024-12-09 10:29:16,847 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:16,847 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,847 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,847 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,848 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,849 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,849 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,849 - INFO - moving on ...
+2024-12-09 10:29:16,849 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:16,849 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,849 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,849 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,850 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,850 - INFO - moving on ...
+2024-12-09 10:29:16,850 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:16,850 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,851 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,851 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,852 - INFO - number of orbitals:  31
+2024-12-09 10:29:16,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,852 - INFO - moving on ...
+2024-12-09 10:29:16,852 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:16,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,852 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,854 - INFO - number of orbitals:  45
+2024-12-09 10:29:16,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,854 - INFO - moving on ...
+2024-12-09 10:29:16,854 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:16,854 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,854 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,854 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,856 - INFO - number of orbitals:  25
+2024-12-09 10:29:16,856 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,856 - INFO - moving on ...
+2024-12-09 10:29:16,856 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:16,856 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,856 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,856 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,858 - INFO - number of orbitals:  39
+2024-12-09 10:29:16,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,858 - INFO - moving on ...
+2024-12-09 10:29:16,858 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:16,858 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:16,858 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:16,858 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,858 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:16,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,859 - INFO - number of orbitals:  42
+2024-12-09 10:29:16,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,859 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,859 - INFO - moving on ...
+2024-12-09 10:29:16,859 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:16,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,861 - INFO - number of orbitals:  90
+2024-12-09 10:29:16,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
+2024-12-09 10:29:16,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,861 - INFO - moving on ...
+2024-12-09 10:29:16,861 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:16,861 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:16,861 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:16,861 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,861 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:16,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,862 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,862 - INFO - moving on ...
+2024-12-09 10:29:16,862 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:16,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,864 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,864 - INFO - moving on ...
+2024-12-09 10:29:16,864 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:16,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,865 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,865 - INFO - moving on ...
+2024-12-09 10:29:16,865 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:16,865 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:16,865 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:16,865 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,865 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:16,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,866 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,866 - INFO - moving on ...
+2024-12-09 10:29:16,866 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:16,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,868 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,868 - INFO - moving on ...
+2024-12-09 10:29:16,868 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:16,868 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:16,868 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:16,868 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,868 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:16,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,869 - INFO - number of orbitals:  66
+2024-12-09 10:29:16,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,869 - INFO - moving on ...
+2024-12-09 10:29:16,869 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:16,870 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:16,870 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:16,870 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,870 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:16,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,870 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,872 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,872 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:16,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:16,872 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:16,887 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,888 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,888 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:16,888 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,888 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,888 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,890 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,890 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:16,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:16,890 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:16,905 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,906 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,906 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:16,906 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,906 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,906 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,908 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,908 - INFO - moving on ...
+2024-12-09 10:29:16,908 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:16,908 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,908 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,908 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,910 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,910 - INFO - moving on ...
+2024-12-09 10:29:16,910 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:16,910 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,910 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,910 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,911 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,911 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:16,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:16,912 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:16,927 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,927 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,927 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:16,928 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,928 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,928 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,930 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,930 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:16,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:16,930 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:16,945 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,946 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,946 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:16,946 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,946 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,946 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,948 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,948 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,948 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,948 - INFO - moving on ...
+2024-12-09 10:29:16,948 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:16,948 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,948 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,948 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,950 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,950 - INFO - moving on ...
+2024-12-09 10:29:16,950 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:16,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,950 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,950 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:16,952 - INFO - number of supporting files: 1
+2024-12-09 10:29:16,952 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:16,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:16,952 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:16,967 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:16,968 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:16,968 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:16,968 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,968 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,968 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,970 - INFO - number of orbitals:  28
+2024-12-09 10:29:16,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,971 - INFO - moving on ...
+2024-12-09 10:29:16,971 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:16,971 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,971 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,971 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,973 - INFO - number of orbitals:  34
+2024-12-09 10:29:16,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,973 - INFO - moving on ...
+2024-12-09 10:29:16,973 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:16,973 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,973 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,973 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,975 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,975 - INFO - moving on ...
+2024-12-09 10:29:16,975 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:16,975 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:16,975 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:16,975 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,975 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:16,975 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,976 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,976 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,977 - INFO - number of orbitals:  30
+2024-12-09 10:29:16,977 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,977 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,977 - INFO - moving on ...
+2024-12-09 10:29:16,978 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:16,978 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,978 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,978 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:16,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,979 - INFO - number of orbitals:  108
+2024-12-09 10:29:16,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,980 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,980 - INFO - moving on ...
+2024-12-09 10:29:16,980 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:16,980 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:16,980 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:16,980 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,980 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:16,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,981 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,981 - INFO - moving on ...
+2024-12-09 10:29:16,981 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:16,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,983 - INFO - number of orbitals:  135
+2024-12-09 10:29:16,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,983 - INFO - moving on ...
+2024-12-09 10:29:16,983 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:16,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,984 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,984 - INFO - moving on ...
+2024-12-09 10:29:16,984 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:16,984 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:16,984 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:16,984 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,984 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:16,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,986 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,986 - INFO - moving on ...
+2024-12-09 10:29:16,986 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:16,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,987 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,987 - INFO - moving on ...
+2024-12-09 10:29:16,987 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:16,988 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:16,988 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:16,988 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,988 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:16,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,989 - INFO - number of orbitals:  54
+2024-12-09 10:29:16,989 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,989 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,989 - INFO - moving on ...
+2024-12-09 10:29:16,989 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:16,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,990 - INFO - number of orbitals:  88
+2024-12-09 10:29:16,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,991 - INFO - moving on ...
+2024-12-09 10:29:16,991 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:16,991 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:16,991 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:16,991 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,991 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:16,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,992 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,992 - INFO - moving on ...
+2024-12-09 10:29:16,992 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:16,992 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:16,992 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:16,993 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,993 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:16,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,994 - INFO - number of orbitals:  76
+2024-12-09 10:29:16,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,994 - INFO - moving on ...
+2024-12-09 10:29:16,994 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:16,994 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:16,994 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:16,994 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,994 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:16,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,996 - INFO - number of orbitals:  36
+2024-12-09 10:29:16,996 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,996 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,996 - INFO - moving on ...
+2024-12-09 10:29:16,996 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:16,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,997 - INFO - number of orbitals:  118
+2024-12-09 10:29:16,997 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,997 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,997 - INFO - moving on ...
+2024-12-09 10:29:16,997 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:16,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:16,998 - INFO - number of orbitals:  68
+2024-12-09 10:29:16,998 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:16,998 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:16,998 - INFO - moving on ...
+2024-12-09 10:29:16,998 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:16,998 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:16,999 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:16,999 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:16,999 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:16,999 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:16,999 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:16,999 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,000 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,000 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,000 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:17,000 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:17,001 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:17,016 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,017 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,017 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:17,017 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,017 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,017 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,019 - INFO - number of orbitals:  30
+2024-12-09 10:29:17,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,019 - INFO - moving on ...
+2024-12-09 10:29:17,019 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:17,019 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,019 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,019 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,025 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,025 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,025 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:17,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:17,025 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:17,042 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,042 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,042 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:17,042 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,042 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,042 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,044 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,045 - INFO - moving on ...
+2024-12-09 10:29:17,045 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:17,045 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,045 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,045 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,046 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,047 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,047 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:17,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:17,047 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:17,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,063 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,063 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:17,063 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,066 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,066 - INFO - moving on ...
+2024-12-09 10:29:17,066 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:17,066 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,066 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,066 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,068 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,068 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:17,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:17,068 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:17,083 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,084 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,084 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:17,084 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,084 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,084 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,086 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,086 - INFO - moving on ...
+2024-12-09 10:29:17,086 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:17,086 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:17,086 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:17,086 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,086 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:17,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,088 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,088 - INFO - moving on ...
+2024-12-09 10:29:17,088 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:17,088 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:17,088 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:17,088 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,088 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:17,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,089 - INFO - number of orbitals:  33
+2024-12-09 10:29:17,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,089 - INFO - moving on ...
+2024-12-09 10:29:17,089 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:17,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,090 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,091 - INFO - moving on ...
+2024-12-09 10:29:17,091 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:17,091 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:17,091 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:17,091 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,091 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:17,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,092 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,092 - INFO - moving on ...
+2024-12-09 10:29:17,092 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:17,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,093 - INFO - number of orbitals:  119
+2024-12-09 10:29:17,093 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,093 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,093 - INFO - moving on ...
+2024-12-09 10:29:17,094 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:17,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,095 - INFO - number of orbitals:  62
+2024-12-09 10:29:17,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,095 - INFO - moving on ...
+2024-12-09 10:29:17,095 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:17,095 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:17,095 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:17,095 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,095 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:17,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,096 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,096 - INFO - moving on ...
+2024-12-09 10:29:17,096 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:17,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,098 - INFO - number of orbitals:  135
+2024-12-09 10:29:17,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,098 - INFO - moving on ...
+2024-12-09 10:29:17,098 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:17,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,099 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,099 - INFO - moving on ...
+2024-12-09 10:29:17,099 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:17,099 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:17,099 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:17,099 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,099 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:17,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,101 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,101 - INFO - moving on ...
+2024-12-09 10:29:17,101 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:17,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,102 - INFO - number of orbitals:  118
+2024-12-09 10:29:17,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,102 - INFO - moving on ...
+2024-12-09 10:29:17,102 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:17,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,103 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,103 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,103 - INFO - moving on ...
+2024-12-09 10:29:17,103 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:17,103 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:17,104 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:17,104 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,104 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:17,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,105 - INFO - number of orbitals:  38
+2024-12-09 10:29:17,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,105 - INFO - moving on ...
+2024-12-09 10:29:17,105 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:17,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,106 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,106 - INFO - moving on ...
+2024-12-09 10:29:17,106 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:17,106 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:17,106 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:17,106 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,106 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:17,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,108 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,108 - INFO - moving on ...
+2024-12-09 10:29:17,108 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:17,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,109 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,109 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,109 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,109 - INFO - moving on ...
+2024-12-09 10:29:17,109 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:17,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,110 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,110 - INFO - moving on ...
+2024-12-09 10:29:17,110 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:17,110 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:17,110 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:17,110 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,111 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:17,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,112 - INFO - number of orbitals:  38
+2024-12-09 10:29:17,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,112 - INFO - moving on ...
+2024-12-09 10:29:17,112 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:17,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,113 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,113 - INFO - moving on ...
+2024-12-09 10:29:17,113 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:17,113 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:17,113 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:17,113 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,113 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:17,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,115 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,115 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,115 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,115 - INFO - moving on ...
+2024-12-09 10:29:17,115 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:17,115 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:17,115 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:17,115 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,115 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:17,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,116 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,116 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,117 - INFO - moving on ...
+2024-12-09 10:29:17,117 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:17,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,118 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,119 - INFO - moving on ...
+2024-12-09 10:29:17,119 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:17,119 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:17,119 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:17,119 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,119 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:17,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,121 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,121 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,121 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:17,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:17,121 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:17,137 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,138 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,138 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:17,138 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:17,138 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:17,138 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,138 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:17,138 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,138 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,138 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,140 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,140 - INFO - moving on ...
+2024-12-09 10:29:17,140 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:17,141 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,141 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,141 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,142 - INFO - number of orbitals:  46
+2024-12-09 10:29:17,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,143 - INFO - moving on ...
+2024-12-09 10:29:17,143 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:17,143 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,143 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,143 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,144 - INFO - number of orbitals:  46
+2024-12-09 10:29:17,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,145 - INFO - moving on ...
+2024-12-09 10:29:17,145 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:17,145 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,145 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,145 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,146 - INFO - number of orbitals:  30
+2024-12-09 10:29:17,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,146 - INFO - moving on ...
+2024-12-09 10:29:17,146 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:17,147 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:17,147 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:17,147 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,147 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:17,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,148 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,148 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:17,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:17,148 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:17,164 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,164 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,165 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:17,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:17,165 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,165 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:17,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,166 - INFO - number of orbitals:  85
+2024-12-09 10:29:17,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,166 - INFO - moving on ...
+2024-12-09 10:29:17,166 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:17,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,167 - INFO - number of orbitals:  44
+2024-12-09 10:29:17,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,168 - INFO - moving on ...
+2024-12-09 10:29:17,168 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:17,168 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:17,168 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:17,168 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,168 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:17,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,169 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,169 - INFO - moving on ...
+2024-12-09 10:29:17,169 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:17,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,170 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,170 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,170 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,171 - INFO - moving on ...
+2024-12-09 10:29:17,171 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:17,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,172 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,172 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,172 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,172 - INFO - moving on ...
+2024-12-09 10:29:17,172 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:17,172 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:17,172 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:17,172 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,172 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:17,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,173 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,173 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,174 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:17,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:17,174 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:17,190 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,191 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,191 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:17,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:17,191 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,191 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:17,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,193 - INFO - number of orbitals:  85
+2024-12-09 10:29:17,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,193 - INFO - moving on ...
+2024-12-09 10:29:17,193 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:17,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,194 - INFO - number of orbitals:  44
+2024-12-09 10:29:17,194 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,195 - INFO - moving on ...
+2024-12-09 10:29:17,195 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:17,195 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:17,195 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:17,195 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,195 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:17,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,196 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,196 - INFO - moving on ...
+2024-12-09 10:29:17,196 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:17,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,198 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,198 - INFO - moving on ...
+2024-12-09 10:29:17,198 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:17,199 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:17,199 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:17,199 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,199 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:17,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,200 - INFO - number of orbitals:  30
+2024-12-09 10:29:17,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,200 - INFO - moving on ...
+2024-12-09 10:29:17,200 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:17,201 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:17,201 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:17,201 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,201 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:17,201 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,201 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,201 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,203 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,203 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,203 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:17,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:17,203 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:17,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,219 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,219 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:17,219 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,219 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,219 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,221 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,221 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,221 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:17,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:17,222 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:17,238 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,238 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,239 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:17,239 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,239 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,239 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,241 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,241 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,241 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:17,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:17,241 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:17,257 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,257 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,257 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:17,257 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,257 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,257 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,259 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,259 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,259 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:17,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:17,259 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:17,275 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,276 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,276 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:17,276 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,276 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,276 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,278 - INFO - number of orbitals:  33
+2024-12-09 10:29:17,278 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,278 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,278 - INFO - moving on ...
+2024-12-09 10:29:17,278 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:17,278 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,278 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,278 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,280 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,280 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,280 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:17,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:17,280 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:17,297 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,297 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,297 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:17,297 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,297 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,297 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,299 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,299 - INFO - moving on ...
+2024-12-09 10:29:17,299 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:17,299 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,300 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,300 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,301 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,301 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,301 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:17,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:17,301 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:17,317 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,318 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,318 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:17,318 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,318 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,318 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,320 - INFO - number of orbitals:  42
+2024-12-09 10:29:17,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,320 - INFO - moving on ...
+2024-12-09 10:29:17,320 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:17,320 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:17,320 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:17,320 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,320 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:17,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,322 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,322 - INFO - moving on ...
+2024-12-09 10:29:17,322 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:17,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,323 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,323 - INFO - moving on ...
+2024-12-09 10:29:17,323 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:17,324 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:17,324 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:17,324 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,324 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:17,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,325 - INFO - number of orbitals:  29
+2024-12-09 10:29:17,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,325 - INFO - moving on ...
+2024-12-09 10:29:17,325 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:17,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,327 - INFO - number of orbitals:  72
+2024-12-09 10:29:17,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,327 - INFO - moving on ...
+2024-12-09 10:29:17,327 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:17,327 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:17,327 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:17,327 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,327 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:17,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,328 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,328 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,329 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:17,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:17,329 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:17,345 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,345 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,345 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:17,345 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:17,345 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:17,345 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,345 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:17,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,347 - INFO - number of orbitals:  48
+2024-12-09 10:29:17,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,347 - INFO - moving on ...
+2024-12-09 10:29:17,347 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:17,347 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:17,347 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:17,347 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,347 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:17,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,348 - INFO - number of orbitals:  48
+2024-12-09 10:29:17,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,349 - INFO - moving on ...
+2024-12-09 10:29:17,349 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:17,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,350 - INFO - number of orbitals:  116
+2024-12-09 10:29:17,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,350 - INFO - moving on ...
+2024-12-09 10:29:17,350 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:17,350 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:17,350 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:17,350 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,350 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:17,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,351 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,351 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,351 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:17,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:17,352 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:17,368 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,369 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,369 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:17,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:17,369 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,369 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:17,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,370 - INFO - number of orbitals:  79
+2024-12-09 10:29:17,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,370 - INFO - moving on ...
+2024-12-09 10:29:17,370 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:17,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,371 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,371 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,371 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,371 - INFO - moving on ...
+2024-12-09 10:29:17,372 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:17,372 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:17,372 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:17,372 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,372 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:17,372 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,372 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,372 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,374 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,374 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:17,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:17,374 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:17,391 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,391 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,391 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:17,391 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,391 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,391 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,393 - INFO - number of orbitals:  26
+2024-12-09 10:29:17,394 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,394 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,394 - INFO - moving on ...
+2024-12-09 10:29:17,394 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:17,394 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,394 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,394 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,396 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,396 - INFO - moving on ...
+2024-12-09 10:29:17,396 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:17,396 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,396 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,396 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,398 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,398 - INFO - moving on ...
+2024-12-09 10:29:17,398 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:17,399 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,399 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,399 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,401 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,401 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,401 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:17,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:17,401 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:17,418 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,418 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,418 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:17,418 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,418 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,418 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,420 - INFO - number of orbitals:  26
+2024-12-09 10:29:17,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,420 - INFO - moving on ...
+2024-12-09 10:29:17,420 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:17,420 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,421 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,421 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,422 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,423 - INFO - moving on ...
+2024-12-09 10:29:17,423 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:17,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,423 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,423 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,424 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,424 - INFO - moving on ...
+2024-12-09 10:29:17,425 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:17,425 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,425 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,425 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,426 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,426 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,426 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:17,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:17,427 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:17,442 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,443 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,443 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:17,443 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,443 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,443 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,445 - INFO - number of orbitals:  26
+2024-12-09 10:29:17,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,445 - INFO - moving on ...
+2024-12-09 10:29:17,445 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:17,445 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,447 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,447 - INFO - moving on ...
+2024-12-09 10:29:17,447 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:17,447 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,447 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,447 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,449 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,449 - INFO - moving on ...
+2024-12-09 10:29:17,449 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:17,449 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:17,449 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:17,449 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,449 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:17,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,450 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,450 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,451 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:17,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:17,451 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:17,466 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,467 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,467 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:17,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:17,467 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,467 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:17,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,468 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,468 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,468 - INFO - moving on ...
+2024-12-09 10:29:17,468 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:17,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,470 - INFO - number of orbitals:  30
+2024-12-09 10:29:17,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,470 - INFO - moving on ...
+2024-12-09 10:29:17,470 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:17,470 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:17,470 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:17,470 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,470 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:17,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,471 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,471 - INFO - moving on ...
+2024-12-09 10:29:17,471 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:17,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,473 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,473 - INFO - moving on ...
+2024-12-09 10:29:17,473 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:17,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,474 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,474 - INFO - moving on ...
+2024-12-09 10:29:17,474 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:17,474 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:17,474 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:17,474 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,474 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:17,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,476 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,476 - INFO - moving on ...
+2024-12-09 10:29:17,476 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:17,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,477 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,477 - INFO - moving on ...
+2024-12-09 10:29:17,477 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:17,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,478 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,478 - INFO - moving on ...
+2024-12-09 10:29:17,478 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:17,479 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:17,479 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:17,479 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,479 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:17,479 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,479 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,479 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,480 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,481 - INFO - moving on ...
+2024-12-09 10:29:17,481 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:17,481 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,481 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,481 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,482 - INFO - number of orbitals:  53
+2024-12-09 10:29:17,483 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,483 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,483 - INFO - moving on ...
+2024-12-09 10:29:17,483 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:17,483 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,483 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,483 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,484 - INFO - number of orbitals:  58
+2024-12-09 10:29:17,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,485 - INFO - moving on ...
+2024-12-09 10:29:17,485 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:17,485 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,485 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,485 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,486 - INFO - number of orbitals:  44
+2024-12-09 10:29:17,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,487 - INFO - moving on ...
+2024-12-09 10:29:17,487 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:17,487 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,487 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,487 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,488 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,489 - INFO - moving on ...
+2024-12-09 10:29:17,489 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:17,489 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,489 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,489 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,490 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,490 - INFO - moving on ...
+2024-12-09 10:29:17,491 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:17,491 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,491 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,491 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,492 - INFO - number of orbitals:  44
+2024-12-09 10:29:17,492 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,492 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,492 - INFO - moving on ...
+2024-12-09 10:29:17,492 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:17,492 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,492 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,493 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,494 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,494 - INFO - moving on ...
+2024-12-09 10:29:17,494 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:17,494 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,494 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,494 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,496 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,496 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,496 - INFO - moving on ...
+2024-12-09 10:29:17,496 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:17,496 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:17,496 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:17,496 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,496 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:17,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,498 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,498 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,498 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,498 - INFO - moving on ...
+2024-12-09 10:29:17,498 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:17,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,499 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,499 - INFO - moving on ...
+2024-12-09 10:29:17,499 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:17,499 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:17,499 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:17,499 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,499 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:17,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,501 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,501 - INFO - moving on ...
+2024-12-09 10:29:17,501 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:17,501 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:17,501 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:17,501 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,501 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:17,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,502 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,502 - INFO - moving on ...
+2024-12-09 10:29:17,502 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:17,502 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:17,502 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:17,502 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,502 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:17,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,504 - INFO - number of orbitals:  33
+2024-12-09 10:29:17,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,504 - INFO - moving on ...
+2024-12-09 10:29:17,504 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:17,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,505 - INFO - number of orbitals:  74
+2024-12-09 10:29:17,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,505 - INFO - moving on ...
+2024-12-09 10:29:17,505 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:17,505 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:17,505 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:17,505 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,505 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:17,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,507 - INFO - number of orbitals:  38
+2024-12-09 10:29:17,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,507 - INFO - moving on ...
+2024-12-09 10:29:17,507 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:17,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,508 - INFO - number of orbitals:  90
+2024-12-09 10:29:17,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,508 - INFO - moving on ...
+2024-12-09 10:29:17,508 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:17,508 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:17,508 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:17,508 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,508 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:17,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,510 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,510 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,510 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,510 - INFO - moving on ...
+2024-12-09 10:29:17,510 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:17,510 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:17,510 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:17,510 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,510 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:17,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,511 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,511 - INFO - moving on ...
+2024-12-09 10:29:17,511 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:17,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,512 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,513 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,513 - INFO - moving on ...
+2024-12-09 10:29:17,513 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:17,513 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:17,513 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:17,513 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,513 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:17,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,514 - INFO - number of orbitals:  47
+2024-12-09 10:29:17,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,514 - INFO - moving on ...
+2024-12-09 10:29:17,514 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:17,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,515 - INFO - number of orbitals:  106
+2024-12-09 10:29:17,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,515 - INFO - moving on ...
+2024-12-09 10:29:17,515 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:17,516 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:17,516 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:17,516 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,516 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:17,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,517 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,517 - INFO - moving on ...
+2024-12-09 10:29:17,517 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:17,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,518 - INFO - number of orbitals:  118
+2024-12-09 10:29:17,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,518 - INFO - moving on ...
+2024-12-09 10:29:17,518 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:17,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,520 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,520 - INFO - moving on ...
+2024-12-09 10:29:17,520 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:17,520 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:17,520 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:17,520 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,520 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:17,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,521 - INFO - number of orbitals:  32
+2024-12-09 10:29:17,521 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,521 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,522 - INFO - moving on ...
+2024-12-09 10:29:17,522 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:17,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,523 - INFO - number of orbitals:  114
+2024-12-09 10:29:17,523 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,523 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,523 - INFO - moving on ...
+2024-12-09 10:29:17,523 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:17,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,524 - INFO - number of orbitals:  64
+2024-12-09 10:29:17,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,524 - INFO - moving on ...
+2024-12-09 10:29:17,524 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:17,524 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:17,524 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:17,524 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,524 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:17,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,526 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,526 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:17,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:17,526 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:17,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,543 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,543 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:17,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:17,543 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,543 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:17,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,544 - INFO - number of orbitals:  115
+2024-12-09 10:29:17,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,545 - INFO - moving on ...
+2024-12-09 10:29:17,545 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:17,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,546 - INFO - number of orbitals:  58
+2024-12-09 10:29:17,546 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,546 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,546 - INFO - moving on ...
+2024-12-09 10:29:17,546 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:17,546 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:17,546 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:17,546 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,546 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:17,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,547 - INFO - number of orbitals:  37
+2024-12-09 10:29:17,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,548 - INFO - moving on ...
+2024-12-09 10:29:17,548 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:17,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,549 - INFO - number of orbitals:  78
+2024-12-09 10:29:17,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,549 - INFO - moving on ...
+2024-12-09 10:29:17,549 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:17,549 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:17,549 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:17,549 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,549 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:17,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,550 - INFO - number of orbitals:  58
+2024-12-09 10:29:17,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,551 - INFO - moving on ...
+2024-12-09 10:29:17,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:17,551 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:17,551 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:17,551 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,551 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:17,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,552 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,552 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,552 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:17,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:17,552 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:17,568 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,569 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,569 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:17,569 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:17,569 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:17,569 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,569 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:17,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,570 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,571 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,571 - INFO - moving on ...
+2024-12-09 10:29:17,571 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:17,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,572 - INFO - number of orbitals:  86
+2024-12-09 10:29:17,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,572 - INFO - moving on ...
+2024-12-09 10:29:17,572 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:17,572 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:17,572 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:17,572 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,572 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:17,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,573 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,574 - INFO - moving on ...
+2024-12-09 10:29:17,574 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:17,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,575 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,575 - INFO - moving on ...
+2024-12-09 10:29:17,575 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:17,575 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:17,575 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:17,575 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,575 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:17,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,576 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,577 - INFO - moving on ...
+2024-12-09 10:29:17,577 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:17,577 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:17,577 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:17,577 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,577 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:17,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,578 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,578 - INFO - moving on ...
+2024-12-09 10:29:17,578 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:17,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,579 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,579 - INFO - moving on ...
+2024-12-09 10:29:17,580 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:17,580 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:17,580 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:17,580 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,580 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:17,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,581 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,581 - INFO - moving on ...
+2024-12-09 10:29:17,581 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:17,581 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:17,581 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:17,581 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,581 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:17,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,582 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,583 - INFO - moving on ...
+2024-12-09 10:29:17,583 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:17,583 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:17,583 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:17,583 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,583 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:17,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,584 - INFO - number of orbitals:  48
+2024-12-09 10:29:17,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,584 - INFO - moving on ...
+2024-12-09 10:29:17,584 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:17,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,585 - INFO - number of orbitals:  116
+2024-12-09 10:29:17,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,585 - INFO - moving on ...
+2024-12-09 10:29:17,585 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:17,586 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:17,586 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:17,586 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,586 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:17,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,587 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,587 - INFO - moving on ...
+2024-12-09 10:29:17,587 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:17,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,588 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,588 - INFO - moving on ...
+2024-12-09 10:29:17,589 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:17,589 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:17,589 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:17,589 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,589 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:17,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,590 - INFO - number of orbitals:  38
+2024-12-09 10:29:17,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,590 - INFO - moving on ...
+2024-12-09 10:29:17,590 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:17,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,591 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,591 - INFO - moving on ...
+2024-12-09 10:29:17,591 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:17,591 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:17,592 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:17,592 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,592 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:17,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,593 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,593 - INFO - moving on ...
+2024-12-09 10:29:17,593 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:17,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,594 - INFO - number of orbitals:  110
+2024-12-09 10:29:17,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,594 - INFO - moving on ...
+2024-12-09 10:29:17,594 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:17,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,595 - INFO - number of orbitals:  60
+2024-12-09 10:29:17,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,596 - INFO - moving on ...
+2024-12-09 10:29:17,596 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:17,596 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:17,596 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:17,596 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,596 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:17,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,597 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,597 - INFO - moving on ...
+2024-12-09 10:29:17,597 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:17,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,598 - INFO - number of orbitals:  135
+2024-12-09 10:29:17,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,598 - INFO - moving on ...
+2024-12-09 10:29:17,598 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:17,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,600 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,600 - INFO - moving on ...
+2024-12-09 10:29:17,600 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:17,600 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:17,600 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:17,600 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,600 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:17,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,601 - INFO - number of orbitals:  28
+2024-12-09 10:29:17,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,601 - INFO - moving on ...
+2024-12-09 10:29:17,601 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:17,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,603 - INFO - number of orbitals:  119
+2024-12-09 10:29:17,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,603 - INFO - moving on ...
+2024-12-09 10:29:17,603 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:17,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,604 - INFO - number of orbitals:  62
+2024-12-09 10:29:17,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,604 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,604 - INFO - moving on ...
+2024-12-09 10:29:17,604 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:17,604 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:17,604 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:17,604 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,604 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:17,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,606 - INFO - number of orbitals:  32
+2024-12-09 10:29:17,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,606 - INFO - moving on ...
+2024-12-09 10:29:17,606 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:17,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,607 - INFO - number of orbitals:  64
+2024-12-09 10:29:17,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,607 - INFO - moving on ...
+2024-12-09 10:29:17,607 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:17,607 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:17,607 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:17,607 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,607 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:17,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,608 - INFO - number of orbitals:  52
+2024-12-09 10:29:17,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,608 - INFO - moving on ...
+2024-12-09 10:29:17,609 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:17,609 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:17,609 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:17,609 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,609 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:17,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,610 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,610 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,610 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:17,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:17,610 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:17,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,626 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,626 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:17,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:17,626 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,626 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:17,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,628 - INFO - number of orbitals:  89
+2024-12-09 10:29:17,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,628 - INFO - moving on ...
+2024-12-09 10:29:17,628 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:17,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,629 - INFO - number of orbitals:  48
+2024-12-09 10:29:17,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,629 - INFO - moving on ...
+2024-12-09 10:29:17,629 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:17,629 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:17,629 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:17,629 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,629 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:17,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,630 - INFO - number of orbitals:  46
+2024-12-09 10:29:17,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,631 - INFO - moving on ...
+2024-12-09 10:29:17,631 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:17,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,632 - INFO - number of orbitals:  94
+2024-12-09 10:29:17,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,632 - INFO - moving on ...
+2024-12-09 10:29:17,632 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:17,632 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:17,632 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:17,632 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,632 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:17,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,633 - INFO - number of orbitals:  70
+2024-12-09 10:29:17,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,633 - INFO - moving on ...
+2024-12-09 10:29:17,633 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:17,634 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:17,634 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:17,634 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,634 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:17,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,635 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:17,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:17,635 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:17,650 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,651 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,651 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:17,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:17,651 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,651 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:17,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,652 - INFO - number of orbitals:  79
+2024-12-09 10:29:17,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,652 - INFO - moving on ...
+2024-12-09 10:29:17,652 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:17,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,653 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,654 - INFO - moving on ...
+2024-12-09 10:29:17,654 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:17,654 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:17,654 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:17,654 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,654 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:17,654 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,654 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,654 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,656 - INFO - number of orbitals:  42
+2024-12-09 10:29:17,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,656 - INFO - moving on ...
+2024-12-09 10:29:17,656 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:17,656 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,656 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,656 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,658 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,658 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,658 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:17,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:17,658 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:17,674 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,674 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,674 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:17,674 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,674 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,674 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,676 - INFO - number of orbitals:  90
+2024-12-09 10:29:17,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,676 - INFO - moving on ...
+2024-12-09 10:29:17,676 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:17,676 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,678 - INFO - number of orbitals:  42
+2024-12-09 10:29:17,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,678 - INFO - moving on ...
+2024-12-09 10:29:17,678 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:17,678 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,678 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,678 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,680 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,680 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,680 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:17,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:17,680 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:17,695 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,696 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,696 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:17,696 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,696 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,696 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,698 - INFO - number of orbitals:  90
+2024-12-09 10:29:17,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,698 - INFO - moving on ...
+2024-12-09 10:29:17,698 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:17,698 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:17,698 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:17,698 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,698 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:17,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,699 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,699 - INFO - number of supporting files: 2
+2024-12-09 10:29:17,699 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:17,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:17,699 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:17,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,715 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,715 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:17,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:17,715 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:17,715 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:17,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,716 - INFO - number of orbitals:  115
+2024-12-09 10:29:17,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,716 - INFO - moving on ...
+2024-12-09 10:29:17,716 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:17,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,718 - INFO - number of orbitals:  58
+2024-12-09 10:29:17,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,718 - INFO - moving on ...
+2024-12-09 10:29:17,718 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:17,718 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:17,718 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:17,718 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,718 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:17,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,719 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,719 - INFO - moving on ...
+2024-12-09 10:29:17,719 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:17,720 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:17,720 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:17,720 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,720 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:17,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,721 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,721 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,721 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:17,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:17,721 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:17,737 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,737 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,737 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:17,737 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:17,737 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:17,738 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,738 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:17,738 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,738 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,738 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,740 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,740 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,740 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:17,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:17,740 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:17,755 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,756 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,756 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:17,756 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,756 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,756 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,758 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,758 - INFO - moving on ...
+2024-12-09 10:29:17,758 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:17,758 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,758 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,758 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,760 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,760 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,760 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:17,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:17,760 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:17,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,776 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,776 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:17,776 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,777 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,777 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,778 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,779 - INFO - moving on ...
+2024-12-09 10:29:17,779 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:17,779 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,779 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,779 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,780 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,780 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,780 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:17,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:17,781 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:17,796 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,796 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,797 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:17,797 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,797 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,797 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,799 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,799 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,799 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,799 - INFO - moving on ...
+2024-12-09 10:29:17,799 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:17,799 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:17,799 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:17,799 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,799 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:17,799 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,799 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,799 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,801 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,801 - INFO - moving on ...
+2024-12-09 10:29:17,801 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:17,801 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,801 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,801 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,803 - INFO - number of orbitals:  70
+2024-12-09 10:29:17,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,803 - INFO - moving on ...
+2024-12-09 10:29:17,803 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:17,803 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,803 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,803 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,805 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,805 - INFO - moving on ...
+2024-12-09 10:29:17,805 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:17,805 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:17,805 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:17,805 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,805 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:17,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,806 - INFO - number of orbitals:  76
+2024-12-09 10:29:17,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,806 - INFO - moving on ...
+2024-12-09 10:29:17,806 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:17,807 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:17,807 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:17,807 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,807 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:17,807 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,807 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,807 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,808 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,809 - INFO - moving on ...
+2024-12-09 10:29:17,809 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:17,809 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,809 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,809 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,810 - INFO - number of orbitals:  70
+2024-12-09 10:29:17,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,810 - INFO - moving on ...
+2024-12-09 10:29:17,811 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:17,811 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,811 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,811 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,812 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,812 - INFO - moving on ...
+2024-12-09 10:29:17,812 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:17,812 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,813 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,813 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,814 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,814 - INFO - moving on ...
+2024-12-09 10:29:17,814 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:17,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,816 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,816 - INFO - moving on ...
+2024-12-09 10:29:17,816 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:17,816 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,816 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,816 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,818 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,818 - INFO - moving on ...
+2024-12-09 10:29:17,818 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:17,818 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,818 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,818 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,820 - INFO - number of orbitals:  55
+2024-12-09 10:29:17,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,820 - INFO - moving on ...
+2024-12-09 10:29:17,820 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:17,820 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,820 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,820 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,822 - INFO - number of orbitals:  69
+2024-12-09 10:29:17,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,822 - INFO - moving on ...
+2024-12-09 10:29:17,822 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:17,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,824 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,824 - INFO - moving on ...
+2024-12-09 10:29:17,824 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:17,824 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,824 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,824 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,826 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,826 - INFO - moving on ...
+2024-12-09 10:29:17,826 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:17,826 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,828 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,828 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,828 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,828 - INFO - moving on ...
+2024-12-09 10:29:17,828 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:17,828 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,828 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,828 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,830 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,830 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,830 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,830 - INFO - moving on ...
+2024-12-09 10:29:17,830 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:17,830 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,830 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,830 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,832 - INFO - number of orbitals:  31
+2024-12-09 10:29:17,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,832 - INFO - moving on ...
+2024-12-09 10:29:17,832 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:17,832 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,832 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,832 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,833 - INFO - number of orbitals:  45
+2024-12-09 10:29:17,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,834 - INFO - moving on ...
+2024-12-09 10:29:17,834 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:17,834 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,835 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,835 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:17,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:17,836 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:17,851 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,852 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,852 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:17,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,852 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,854 - INFO - number of orbitals:  39
+2024-12-09 10:29:17,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,854 - INFO - moving on ...
+2024-12-09 10:29:17,854 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:17,854 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:17,854 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:17,854 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,854 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:17,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,855 - INFO - number of orbitals:  42
+2024-12-09 10:29:17,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,856 - INFO - moving on ...
+2024-12-09 10:29:17,856 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:17,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,857 - INFO - number of orbitals:  90
+2024-12-09 10:29:17,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
+2024-12-09 10:29:17,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,857 - INFO - moving on ...
+2024-12-09 10:29:17,857 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:17,857 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:17,857 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:17,857 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,857 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:17,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,858 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,858 - INFO - moving on ...
+2024-12-09 10:29:17,858 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:17,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,860 - INFO - number of orbitals:  118
+2024-12-09 10:29:17,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,860 - INFO - moving on ...
+2024-12-09 10:29:17,860 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:17,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,861 - INFO - number of orbitals:  68
+2024-12-09 10:29:17,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,861 - INFO - moving on ...
+2024-12-09 10:29:17,861 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:17,861 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:17,861 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:17,861 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,861 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:17,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,862 - INFO - number of orbitals:  54
+2024-12-09 10:29:17,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,863 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,863 - INFO - moving on ...
+2024-12-09 10:29:17,863 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:17,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,864 - INFO - number of orbitals:  88
+2024-12-09 10:29:17,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,864 - INFO - moving on ...
+2024-12-09 10:29:17,864 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:17,864 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:17,864 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:17,864 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,864 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:17,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,865 - INFO - number of orbitals:  66
+2024-12-09 10:29:17,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,865 - INFO - moving on ...
+2024-12-09 10:29:17,866 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:17,866 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:17,866 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:17,866 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,866 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:17,866 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,866 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,866 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,868 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,868 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:17,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:17,868 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:17,883 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,884 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,884 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:17,884 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,884 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,884 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,886 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,886 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,886 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:17,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:17,886 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:17,901 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,902 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,902 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:17,902 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,902 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,902 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,904 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,904 - INFO - moving on ...
+2024-12-09 10:29:17,904 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:17,904 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,904 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,904 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,906 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,906 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,906 - INFO - moving on ...
+2024-12-09 10:29:17,906 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:17,906 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,906 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,906 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,908 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,908 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,908 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:17,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:17,908 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:17,923 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,923 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,924 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:17,924 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,924 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,924 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,926 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,926 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,926 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:17,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:17,926 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:17,942 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,942 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,942 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:17,942 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,942 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,942 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,944 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,944 - INFO - moving on ...
+2024-12-09 10:29:17,944 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:17,944 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,945 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,945 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,946 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,946 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,946 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,946 - INFO - moving on ...
+2024-12-09 10:29:17,946 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:17,946 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,947 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,947 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,948 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,948 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,948 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:17,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:17,948 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:17,963 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,964 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,964 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:17,964 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,964 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,964 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,966 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,966 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,966 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:17,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:17,966 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:17,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:17,982 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:17,982 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:17,982 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,982 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,982 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,984 - INFO - number of orbitals:  34
+2024-12-09 10:29:17,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,984 - INFO - moving on ...
+2024-12-09 10:29:17,984 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:17,984 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,984 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,984 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,986 - INFO - number of orbitals:  36
+2024-12-09 10:29:17,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:17,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:17,986 - INFO - moving on ...
+2024-12-09 10:29:17,986 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:17,986 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:17,986 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:17,986 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:17,986 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:17,986 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:17,987 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:17,987 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:17,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:17,988 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:17,988 - INFO - number of supporting files: 1
+2024-12-09 10:29:17,988 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:17,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:17,988 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:18,004 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,004 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,005 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:18,005 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,005 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,005 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,007 - INFO - number of orbitals:  108
+2024-12-09 10:29:18,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,007 - INFO - moving on ...
+2024-12-09 10:29:18,007 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:18,007 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:18,007 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:18,007 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,007 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:18,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,008 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,008 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,008 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,008 - INFO - moving on ...
+2024-12-09 10:29:18,009 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:18,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,010 - INFO - number of orbitals:  135
+2024-12-09 10:29:18,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,010 - INFO - moving on ...
+2024-12-09 10:29:18,010 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:18,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,011 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,011 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,011 - INFO - moving on ...
+2024-12-09 10:29:18,011 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:18,012 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:18,012 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:18,012 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,012 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:18,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,013 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,013 - INFO - moving on ...
+2024-12-09 10:29:18,013 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:18,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,014 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,014 - INFO - moving on ...
+2024-12-09 10:29:18,014 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:18,014 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:18,014 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:18,014 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,015 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:18,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,016 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,016 - INFO - moving on ...
+2024-12-09 10:29:18,016 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:18,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,017 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,017 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,017 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,017 - INFO - moving on ...
+2024-12-09 10:29:18,017 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:18,017 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:18,017 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:18,017 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,017 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:18,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,019 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,019 - INFO - moving on ...
+2024-12-09 10:29:18,019 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:18,019 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:18,019 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:18,019 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,019 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:18,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,020 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,020 - INFO - moving on ...
+2024-12-09 10:29:18,020 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:18,020 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:18,020 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:18,020 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,020 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:18,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,022 - INFO - number of orbitals:  36
+2024-12-09 10:29:18,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,022 - INFO - moving on ...
+2024-12-09 10:29:18,022 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:18,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,023 - INFO - number of orbitals:  118
+2024-12-09 10:29:18,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,023 - INFO - moving on ...
+2024-12-09 10:29:18,023 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:18,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,024 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,024 - INFO - moving on ...
+2024-12-09 10:29:18,024 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:18,025 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:18,025 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:18,025 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,025 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:18,025 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,025 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,025 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,027 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,027 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:18,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:18,027 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:18,042 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,043 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,043 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:18,043 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,043 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,043 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,045 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,046 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:18,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:18,046 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:18,061 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,062 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,062 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:18,062 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,062 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,062 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,064 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,064 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:18,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:18,064 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:18,078 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,079 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,079 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:18,079 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,079 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,079 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,081 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,081 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,081 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,081 - INFO - moving on ...
+2024-12-09 10:29:18,081 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:18,081 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,081 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,081 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,083 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,083 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,083 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:18,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:18,083 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:18,097 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,098 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,098 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:18,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,098 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,098 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,100 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,100 - INFO - moving on ...
+2024-12-09 10:29:18,100 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:18,100 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,100 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,100 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,102 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,102 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:18,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:18,102 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:18,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,118 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,118 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:18,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,120 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,120 - INFO - moving on ...
+2024-12-09 10:29:18,120 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:18,120 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:18,120 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:18,120 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,120 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:18,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,121 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,122 - INFO - moving on ...
+2024-12-09 10:29:18,122 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:18,122 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:18,122 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:18,122 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,122 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:18,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,123 - INFO - number of orbitals:  33
+2024-12-09 10:29:18,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,123 - INFO - moving on ...
+2024-12-09 10:29:18,123 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:18,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,124 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,124 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,124 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,124 - INFO - moving on ...
+2024-12-09 10:29:18,124 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:18,125 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:18,125 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:18,125 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,125 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:18,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,126 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,126 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,126 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:18,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:18,126 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:18,141 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,142 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,142 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:18,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:18,142 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,142 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:18,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,143 - INFO - number of orbitals:  119
+2024-12-09 10:29:18,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,144 - INFO - moving on ...
+2024-12-09 10:29:18,144 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:18,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,145 - INFO - number of orbitals:  62
+2024-12-09 10:29:18,145 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,145 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,145 - INFO - moving on ...
+2024-12-09 10:29:18,145 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:18,145 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:18,145 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:18,145 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,145 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:18,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,146 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,146 - INFO - moving on ...
+2024-12-09 10:29:18,146 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:18,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,147 - INFO - number of orbitals:  135
+2024-12-09 10:29:18,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,147 - INFO - moving on ...
+2024-12-09 10:29:18,148 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:18,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,149 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,149 - INFO - moving on ...
+2024-12-09 10:29:18,149 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:18,149 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:18,149 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:18,149 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,149 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:18,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,150 - INFO - number of orbitals:  36
+2024-12-09 10:29:18,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,150 - INFO - moving on ...
+2024-12-09 10:29:18,150 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:18,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,151 - INFO - number of orbitals:  118
+2024-12-09 10:29:18,151 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,151 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,151 - INFO - moving on ...
+2024-12-09 10:29:18,152 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:18,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,153 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,153 - INFO - moving on ...
+2024-12-09 10:29:18,153 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:18,153 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:18,153 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:18,153 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,153 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:18,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,154 - INFO - number of orbitals:  38
+2024-12-09 10:29:18,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,154 - INFO - moving on ...
+2024-12-09 10:29:18,154 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:18,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,155 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,156 - INFO - moving on ...
+2024-12-09 10:29:18,156 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:18,156 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:18,156 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:18,156 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,156 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:18,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,157 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,157 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,157 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:18,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:18,157 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:18,173 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,173 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,174 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:18,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:18,174 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,174 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:18,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,175 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,175 - INFO - moving on ...
+2024-12-09 10:29:18,175 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:18,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,176 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,176 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,177 - INFO - moving on ...
+2024-12-09 10:29:18,177 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:18,177 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:18,177 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:18,177 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,177 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:18,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,178 - INFO - number of orbitals:  38
+2024-12-09 10:29:18,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,178 - INFO - moving on ...
+2024-12-09 10:29:18,178 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:18,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,179 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,180 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,180 - INFO - moving on ...
+2024-12-09 10:29:18,180 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:18,180 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:18,180 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:18,180 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,180 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:18,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,181 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,181 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,181 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,181 - INFO - moving on ...
+2024-12-09 10:29:18,181 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:18,181 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:18,181 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:18,181 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,181 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:18,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,183 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,183 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,183 - INFO - moving on ...
+2024-12-09 10:29:18,183 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:18,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,184 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,184 - INFO - moving on ...
+2024-12-09 10:29:18,184 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:18,184 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:18,184 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:18,184 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,184 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:18,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,185 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,186 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,186 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:18,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:18,186 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:18,202 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,202 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,202 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:18,203 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:18,203 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:18,203 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,203 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:18,203 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,203 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,203 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,205 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,205 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,205 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,205 - INFO - moving on ...
+2024-12-09 10:29:18,205 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:18,205 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,205 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,205 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,207 - INFO - number of orbitals:  46
+2024-12-09 10:29:18,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,207 - INFO - moving on ...
+2024-12-09 10:29:18,207 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:18,207 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,207 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,207 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,209 - INFO - number of orbitals:  46
+2024-12-09 10:29:18,209 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,209 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,209 - INFO - moving on ...
+2024-12-09 10:29:18,209 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:18,209 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,209 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,209 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,211 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,211 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,211 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:18,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:18,211 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:18,227 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,228 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,228 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:18,228 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:18,228 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:18,228 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,228 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:18,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,229 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,230 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,230 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:18,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:18,230 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:18,246 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,246 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,246 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:18,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:18,246 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,247 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:18,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,248 - INFO - number of orbitals:  85
+2024-12-09 10:29:18,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,248 - INFO - moving on ...
+2024-12-09 10:29:18,248 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:18,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,250 - INFO - number of orbitals:  44
+2024-12-09 10:29:18,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,250 - INFO - moving on ...
+2024-12-09 10:29:18,250 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:18,250 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:18,250 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:18,250 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,250 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:18,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,251 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,251 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,251 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:18,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:18,251 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:18,267 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,267 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,267 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:18,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:18,267 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,268 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:18,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,269 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,269 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,269 - INFO - moving on ...
+2024-12-09 10:29:18,269 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:18,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,270 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,270 - INFO - moving on ...
+2024-12-09 10:29:18,270 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:18,271 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:18,271 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:18,271 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,271 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:18,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,272 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,272 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:18,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:18,272 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:18,288 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,288 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,288 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:18,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:18,289 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,289 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:18,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,290 - INFO - number of orbitals:  85
+2024-12-09 10:29:18,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,290 - INFO - moving on ...
+2024-12-09 10:29:18,290 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:18,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,292 - INFO - number of orbitals:  44
+2024-12-09 10:29:18,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,292 - INFO - moving on ...
+2024-12-09 10:29:18,292 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:18,292 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:18,292 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:18,292 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,292 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:18,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,293 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,293 - INFO - moving on ...
+2024-12-09 10:29:18,293 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:18,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,295 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,295 - INFO - moving on ...
+2024-12-09 10:29:18,295 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:18,295 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:18,295 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:18,295 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,295 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:18,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,296 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,296 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:18,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:18,296 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:18,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,313 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,313 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:18,314 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:18,314 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:18,314 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,314 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:18,314 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,314 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,314 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,316 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,316 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:18,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:18,316 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:18,332 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,332 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,332 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:18,332 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,333 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,333 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,334 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,335 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,335 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:18,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:18,335 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:18,351 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,351 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,352 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:18,352 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,352 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,352 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,354 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,354 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,354 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:18,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:18,354 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:18,370 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,370 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,370 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:18,370 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,370 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,370 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,372 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,372 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,372 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:18,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:18,372 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:18,388 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,388 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,389 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:18,389 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,389 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,389 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,391 - INFO - number of orbitals:  33
+2024-12-09 10:29:18,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,391 - INFO - moving on ...
+2024-12-09 10:29:18,391 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:18,391 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,391 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,391 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,393 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,393 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,393 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:18,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:18,393 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:18,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,409 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,409 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:18,409 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,409 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,409 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,411 - INFO - number of orbitals:  45
+2024-12-09 10:29:18,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,411 - INFO - moving on ...
+2024-12-09 10:29:18,411 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:18,412 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,412 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,412 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,413 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,413 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:18,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:18,414 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:18,429 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,429 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,430 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:18,430 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,430 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,430 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,432 - INFO - number of orbitals:  42
+2024-12-09 10:29:18,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,432 - INFO - moving on ...
+2024-12-09 10:29:18,432 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:18,432 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:18,432 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:18,432 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,432 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:18,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,433 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,433 - INFO - moving on ...
+2024-12-09 10:29:18,433 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:18,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,435 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,435 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,435 - INFO - moving on ...
+2024-12-09 10:29:18,435 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:18,435 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:18,435 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:18,435 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,435 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:18,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,436 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,436 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,436 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:18,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:18,436 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:18,455 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,455 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,456 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:18,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:18,456 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,456 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:18,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,458 - INFO - number of orbitals:  72
+2024-12-09 10:29:18,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,458 - INFO - moving on ...
+2024-12-09 10:29:18,458 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:18,458 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:18,458 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:18,458 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,458 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:18,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,460 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,460 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,460 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:18,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:18,460 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:18,476 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,477 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,477 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:18,477 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:18,477 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:18,477 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,477 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:18,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,479 - INFO - number of orbitals:  48
+2024-12-09 10:29:18,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,479 - INFO - moving on ...
+2024-12-09 10:29:18,479 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:18,479 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:18,479 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:18,479 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,479 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:18,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,480 - INFO - number of orbitals:  48
+2024-12-09 10:29:18,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,480 - INFO - moving on ...
+2024-12-09 10:29:18,480 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:18,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,481 - INFO - number of orbitals:  116
+2024-12-09 10:29:18,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,482 - INFO - moving on ...
+2024-12-09 10:29:18,482 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:18,482 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:18,482 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:18,482 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,482 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:18,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,483 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,483 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,483 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:18,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:18,483 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:18,499 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,500 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,500 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:18,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:18,500 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,500 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:18,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,501 - INFO - number of orbitals:  79
+2024-12-09 10:29:18,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,501 - INFO - moving on ...
+2024-12-09 10:29:18,501 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:18,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,503 - INFO - number of orbitals:  45
+2024-12-09 10:29:18,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,503 - INFO - moving on ...
+2024-12-09 10:29:18,503 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:18,503 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:18,503 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:18,503 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,503 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:18,503 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,503 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,503 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,505 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,505 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,505 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:18,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:18,505 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:18,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,522 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,522 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:18,522 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,522 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,522 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,524 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,524 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,524 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:18,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:18,524 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:18,540 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,540 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,540 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:18,540 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,541 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,541 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,542 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,543 - INFO - moving on ...
+2024-12-09 10:29:18,543 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:18,543 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,543 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,543 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,544 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,544 - INFO - moving on ...
+2024-12-09 10:29:18,544 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:18,545 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,545 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,545 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,546 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,546 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:18,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:18,547 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:18,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,563 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,563 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:18,563 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,563 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,563 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,565 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,565 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:18,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:18,565 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:18,580 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,581 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,581 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:18,581 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,581 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,581 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,583 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,583 - INFO - moving on ...
+2024-12-09 10:29:18,583 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:18,583 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,583 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,583 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,585 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,585 - INFO - moving on ...
+2024-12-09 10:29:18,585 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:18,585 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,585 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,585 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,587 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,587 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,587 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:18,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:18,587 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:18,603 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,603 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,603 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:18,603 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,605 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,605 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,605 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:18,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:18,605 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:18,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,622 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,622 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:18,622 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,622 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,622 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,624 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,624 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,624 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,624 - INFO - moving on ...
+2024-12-09 10:29:18,624 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:18,624 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,624 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,624 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,626 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,626 - INFO - moving on ...
+2024-12-09 10:29:18,626 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:18,626 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:18,626 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:18,626 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,626 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:18,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,628 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,628 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:18,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:18,628 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:18,643 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,644 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,644 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:18,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:18,644 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,644 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:18,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,645 - INFO - number of orbitals:  55
+2024-12-09 10:29:18,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,645 - INFO - moving on ...
+2024-12-09 10:29:18,645 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:18,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,647 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,647 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,647 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:18,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:18,647 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:18,663 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,664 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,664 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:18,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:18,664 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,664 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:18,664 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:18,664 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:18,665 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,665 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:18,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,666 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,666 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:18,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:18,666 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:18,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,683 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,683 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:18,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:18,683 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,683 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:18,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,684 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,684 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,684 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,684 - INFO - moving on ...
+2024-12-09 10:29:18,685 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:18,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,686 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,686 - INFO - moving on ...
+2024-12-09 10:29:18,686 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:18,686 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:18,686 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:18,686 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,686 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:18,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,687 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,688 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,688 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:18,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:18,688 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:18,704 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,704 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,704 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:18,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:18,704 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,704 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:18,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,706 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,706 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,706 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,706 - INFO - moving on ...
+2024-12-09 10:29:18,706 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:18,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,707 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,707 - INFO - moving on ...
+2024-12-09 10:29:18,707 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:18,707 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:18,707 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:18,707 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,707 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:18,708 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,708 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,708 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,709 - INFO - number of orbitals:  45
+2024-12-09 10:29:18,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,710 - INFO - moving on ...
+2024-12-09 10:29:18,710 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:18,710 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,710 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,710 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,711 - INFO - number of orbitals:  53
+2024-12-09 10:29:18,711 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,711 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,711 - INFO - moving on ...
+2024-12-09 10:29:18,711 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:18,712 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,712 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,712 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,713 - INFO - number of orbitals:  58
+2024-12-09 10:29:18,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,713 - INFO - moving on ...
+2024-12-09 10:29:18,713 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:18,713 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,713 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,713 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,715 - INFO - number of orbitals:  44
+2024-12-09 10:29:18,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,715 - INFO - moving on ...
+2024-12-09 10:29:18,715 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:18,715 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,715 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,715 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,717 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,717 - INFO - moving on ...
+2024-12-09 10:29:18,717 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:18,717 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,717 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,717 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,719 - INFO - number of orbitals:  55
+2024-12-09 10:29:18,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,719 - INFO - moving on ...
+2024-12-09 10:29:18,719 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:18,719 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,719 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,719 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,721 - INFO - number of orbitals:  44
+2024-12-09 10:29:18,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,721 - INFO - moving on ...
+2024-12-09 10:29:18,721 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:18,721 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,721 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,721 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,722 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,723 - INFO - moving on ...
+2024-12-09 10:29:18,723 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:18,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,724 - INFO - number of orbitals:  55
+2024-12-09 10:29:18,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,725 - INFO - moving on ...
+2024-12-09 10:29:18,725 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:18,725 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:18,725 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:18,725 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,725 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:18,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,726 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,726 - INFO - moving on ...
+2024-12-09 10:29:18,726 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:18,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,727 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,727 - INFO - moving on ...
+2024-12-09 10:29:18,727 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:18,728 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:18,728 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:18,728 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,728 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:18,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,729 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,729 - INFO - moving on ...
+2024-12-09 10:29:18,729 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:18,729 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:18,729 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:18,729 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,729 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:18,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,730 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,730 - INFO - moving on ...
+2024-12-09 10:29:18,730 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:18,731 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:18,731 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:18,731 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,731 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:18,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,732 - INFO - number of orbitals:  33
+2024-12-09 10:29:18,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,732 - INFO - moving on ...
+2024-12-09 10:29:18,732 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:18,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,734 - INFO - number of orbitals:  74
+2024-12-09 10:29:18,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,734 - INFO - moving on ...
+2024-12-09 10:29:18,734 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:18,734 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:18,734 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:18,734 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,734 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:18,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,735 - INFO - number of orbitals:  38
+2024-12-09 10:29:18,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,735 - INFO - moving on ...
+2024-12-09 10:29:18,735 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:18,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,737 - INFO - number of orbitals:  90
+2024-12-09 10:29:18,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,737 - INFO - moving on ...
+2024-12-09 10:29:18,737 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:18,737 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:18,737 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:18,737 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,737 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:18,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,738 - INFO - number of orbitals:  69
+2024-12-09 10:29:18,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,738 - INFO - moving on ...
+2024-12-09 10:29:18,738 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:18,739 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:18,739 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:18,739 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,739 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:18,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,740 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,740 - INFO - moving on ...
+2024-12-09 10:29:18,740 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:18,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,741 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,741 - INFO - moving on ...
+2024-12-09 10:29:18,741 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:18,741 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:18,741 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:18,741 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,741 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:18,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,743 - INFO - number of orbitals:  47
+2024-12-09 10:29:18,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,743 - INFO - moving on ...
+2024-12-09 10:29:18,743 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:18,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,744 - INFO - number of orbitals:  106
+2024-12-09 10:29:18,744 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,744 - INFO - moving on ...
+2024-12-09 10:29:18,744 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:18,744 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:18,744 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:18,744 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,744 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:18,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,745 - INFO - number of orbitals:  36
+2024-12-09 10:29:18,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,746 - INFO - moving on ...
+2024-12-09 10:29:18,746 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:18,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,747 - INFO - number of orbitals:  118
+2024-12-09 10:29:18,747 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,747 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,747 - INFO - moving on ...
+2024-12-09 10:29:18,747 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:18,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,748 - INFO - number of orbitals:  68
+2024-12-09 10:29:18,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,748 - INFO - moving on ...
+2024-12-09 10:29:18,748 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:18,748 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:18,748 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:18,748 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,748 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:18,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,750 - INFO - number of orbitals:  32
+2024-12-09 10:29:18,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,750 - INFO - moving on ...
+2024-12-09 10:29:18,750 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:18,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,751 - INFO - number of orbitals:  114
+2024-12-09 10:29:18,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,751 - INFO - moving on ...
+2024-12-09 10:29:18,751 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:18,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,752 - INFO - number of orbitals:  64
+2024-12-09 10:29:18,752 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,752 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,752 - INFO - moving on ...
+2024-12-09 10:29:18,752 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:18,753 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:18,753 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:18,753 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,753 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:18,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,754 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,754 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,754 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:18,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:18,754 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:18,770 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,770 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,771 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:18,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:18,771 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,771 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:18,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,772 - INFO - number of orbitals:  115
+2024-12-09 10:29:18,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,772 - INFO - moving on ...
+2024-12-09 10:29:18,772 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:18,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,773 - INFO - number of orbitals:  58
+2024-12-09 10:29:18,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,774 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,774 - INFO - moving on ...
+2024-12-09 10:29:18,774 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:18,774 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:18,774 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:18,774 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,774 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:18,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,775 - INFO - number of orbitals:  37
+2024-12-09 10:29:18,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,775 - INFO - moving on ...
+2024-12-09 10:29:18,775 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:18,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,776 - INFO - number of orbitals:  78
+2024-12-09 10:29:18,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,777 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,777 - INFO - moving on ...
+2024-12-09 10:29:18,777 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:18,777 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:18,777 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:18,777 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,777 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:18,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,778 - INFO - number of orbitals:  58
+2024-12-09 10:29:18,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,778 - INFO - moving on ...
+2024-12-09 10:29:18,778 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:18,778 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:18,778 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:18,778 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,778 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:18,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,780 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,780 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,780 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:18,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:18,780 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:18,798 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,798 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,798 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:18,798 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:18,798 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:18,798 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,799 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:18,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,800 - INFO - number of orbitals:  34
+2024-12-09 10:29:18,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,800 - INFO - moving on ...
+2024-12-09 10:29:18,800 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:18,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,802 - INFO - number of orbitals:  86
+2024-12-09 10:29:18,802 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,802 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,802 - INFO - moving on ...
+2024-12-09 10:29:18,802 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:18,802 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:18,802 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:18,802 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,802 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:18,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,803 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,803 - INFO - moving on ...
+2024-12-09 10:29:18,803 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:18,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,805 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,805 - INFO - moving on ...
+2024-12-09 10:29:18,805 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:18,805 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:18,805 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:18,805 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,805 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:18,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,806 - INFO - number of orbitals:  31
+2024-12-09 10:29:18,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,806 - INFO - moving on ...
+2024-12-09 10:29:18,806 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:18,806 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:18,806 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:18,806 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,807 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:18,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,808 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,808 - INFO - moving on ...
+2024-12-09 10:29:18,808 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:18,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,809 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,809 - INFO - moving on ...
+2024-12-09 10:29:18,809 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:18,809 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:18,809 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:18,809 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,810 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:18,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,811 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,811 - INFO - moving on ...
+2024-12-09 10:29:18,811 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:18,811 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:18,811 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:18,811 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,811 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:18,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,812 - INFO - number of orbitals:  69
+2024-12-09 10:29:18,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,812 - INFO - moving on ...
+2024-12-09 10:29:18,812 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:18,813 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:18,813 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:18,813 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,813 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:18,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,814 - INFO - number of orbitals:  48
+2024-12-09 10:29:18,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,814 - INFO - moving on ...
+2024-12-09 10:29:18,814 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:18,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,815 - INFO - number of orbitals:  116
+2024-12-09 10:29:18,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,815 - INFO - moving on ...
+2024-12-09 10:29:18,815 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:18,815 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:18,816 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:18,816 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,816 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:18,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,817 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,817 - INFO - moving on ...
+2024-12-09 10:29:18,817 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:18,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,818 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,818 - INFO - moving on ...
+2024-12-09 10:29:18,818 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:18,818 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:18,819 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:18,819 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,819 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:18,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,820 - INFO - number of orbitals:  38
+2024-12-09 10:29:18,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,820 - INFO - moving on ...
+2024-12-09 10:29:18,820 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:18,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,821 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,821 - INFO - moving on ...
+2024-12-09 10:29:18,821 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:18,821 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:18,821 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:18,822 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,822 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:18,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,823 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,823 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,823 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:18,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:18,823 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:18,839 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,839 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,839 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:18,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:18,839 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,839 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:18,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,841 - INFO - number of orbitals:  110
+2024-12-09 10:29:18,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,841 - INFO - moving on ...
+2024-12-09 10:29:18,841 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:18,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,842 - INFO - number of orbitals:  60
+2024-12-09 10:29:18,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,842 - INFO - moving on ...
+2024-12-09 10:29:18,842 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:18,842 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:18,842 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:18,842 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,842 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:18,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,844 - INFO - number of orbitals:  54
+2024-12-09 10:29:18,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,844 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,844 - INFO - moving on ...
+2024-12-09 10:29:18,844 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:18,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,845 - INFO - number of orbitals:  135
+2024-12-09 10:29:18,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,845 - INFO - moving on ...
+2024-12-09 10:29:18,845 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:18,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,846 - INFO - number of orbitals:  88
+2024-12-09 10:29:18,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,846 - INFO - moving on ...
+2024-12-09 10:29:18,846 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:18,847 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:18,847 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:18,847 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,847 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:18,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,848 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,848 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,848 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:18,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:18,848 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:18,864 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,864 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,864 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:18,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:18,864 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,864 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:18,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,866 - INFO - number of orbitals:  119
+2024-12-09 10:29:18,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,866 - INFO - moving on ...
+2024-12-09 10:29:18,866 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:18,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,867 - INFO - number of orbitals:  62
+2024-12-09 10:29:18,867 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,867 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,867 - INFO - moving on ...
+2024-12-09 10:29:18,867 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:18,867 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:18,867 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:18,867 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,867 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:18,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,869 - INFO - number of orbitals:  32
+2024-12-09 10:29:18,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,869 - INFO - moving on ...
+2024-12-09 10:29:18,869 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:18,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,870 - INFO - number of orbitals:  64
+2024-12-09 10:29:18,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,870 - INFO - moving on ...
+2024-12-09 10:29:18,870 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:18,870 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:18,870 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:18,870 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,870 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:18,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,871 - INFO - number of orbitals:  52
+2024-12-09 10:29:18,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,871 - INFO - moving on ...
+2024-12-09 10:29:18,871 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:18,872 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:18,872 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:18,872 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,872 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:18,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,873 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,873 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,873 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:18,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:18,873 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:18,889 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,889 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,889 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:18,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:18,889 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,889 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:18,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,891 - INFO - number of orbitals:  89
+2024-12-09 10:29:18,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,891 - INFO - moving on ...
+2024-12-09 10:29:18,891 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:18,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,892 - INFO - number of orbitals:  48
+2024-12-09 10:29:18,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,892 - INFO - moving on ...
+2024-12-09 10:29:18,892 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:18,893 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:18,893 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:18,893 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,893 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:18,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,894 - INFO - number of orbitals:  46
+2024-12-09 10:29:18,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,894 - INFO - moving on ...
+2024-12-09 10:29:18,894 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:18,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,895 - INFO - number of orbitals:  94
+2024-12-09 10:29:18,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,895 - INFO - moving on ...
+2024-12-09 10:29:18,895 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:18,896 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:18,896 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:18,896 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,896 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:18,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,897 - INFO - number of orbitals:  70
+2024-12-09 10:29:18,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,897 - INFO - moving on ...
+2024-12-09 10:29:18,897 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:18,897 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:18,897 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:18,897 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,897 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:18,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,898 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,898 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:18,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:18,899 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:18,914 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,914 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,915 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:18,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:18,915 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,915 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:18,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,916 - INFO - number of orbitals:  79
+2024-12-09 10:29:18,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,916 - INFO - moving on ...
+2024-12-09 10:29:18,916 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:18,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,918 - INFO - number of orbitals:  45
+2024-12-09 10:29:18,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,918 - INFO - moving on ...
+2024-12-09 10:29:18,918 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:18,918 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:18,918 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:18,918 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,918 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:18,918 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,918 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,918 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,920 - INFO - number of orbitals:  42
+2024-12-09 10:29:18,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,920 - INFO - moving on ...
+2024-12-09 10:29:18,920 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:18,920 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,920 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,920 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,922 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,922 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,922 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:18,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:18,922 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:18,938 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,938 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,938 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:18,938 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,939 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,939 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,940 - INFO - number of orbitals:  90
+2024-12-09 10:29:18,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,941 - INFO - moving on ...
+2024-12-09 10:29:18,941 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:18,941 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,941 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,941 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,942 - INFO - number of orbitals:  42
+2024-12-09 10:29:18,942 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,942 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,943 - INFO - moving on ...
+2024-12-09 10:29:18,943 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:18,943 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,943 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,943 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,944 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,944 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,944 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:18,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:18,944 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:18,959 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,960 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,960 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:18,960 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:18,960 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:18,960 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:18,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,962 - INFO - number of orbitals:  90
+2024-12-09 10:29:18,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,962 - INFO - moving on ...
+2024-12-09 10:29:18,962 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:18,962 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:18,962 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:18,962 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,962 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:18,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,963 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,963 - INFO - number of supporting files: 2
+2024-12-09 10:29:18,964 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:18,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:18,964 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:18,979 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:18,979 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:18,979 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:18,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:18,979 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:18,979 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:18,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,981 - INFO - number of orbitals:  115
+2024-12-09 10:29:18,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,981 - INFO - moving on ...
+2024-12-09 10:29:18,981 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:18,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,982 - INFO - number of orbitals:  58
+2024-12-09 10:29:18,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,982 - INFO - moving on ...
+2024-12-09 10:29:18,982 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:18,982 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:18,982 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:18,982 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,982 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:18,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,983 - INFO - number of orbitals:  76
+2024-12-09 10:29:18,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:18,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:18,983 - INFO - moving on ...
+2024-12-09 10:29:18,984 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:18,984 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:18,984 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:18,984 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:18,984 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:18,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:18,985 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:18,985 - INFO - number of supporting files: 1
+2024-12-09 10:29:18,985 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:18,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:18,985 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:19,000 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,000 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,000 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:19,001 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:19,001 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:19,001 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,001 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:19,001 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,001 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,001 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,003 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,003 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,003 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:19,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:19,003 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:19,019 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,020 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,020 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:19,020 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,020 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,020 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,022 - INFO - number of orbitals:  34
+2024-12-09 10:29:19,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,022 - INFO - moving on ...
+2024-12-09 10:29:19,022 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:19,022 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,022 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,023 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,024 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,024 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,024 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:19,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:19,025 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,041 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,041 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,042 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:19,042 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,042 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,042 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,044 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,044 - INFO - moving on ...
+2024-12-09 10:29:19,044 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:19,044 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,044 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,044 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,046 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,046 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,046 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:19,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:19,046 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:19,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,063 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,063 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:19,063 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,065 - INFO - number of orbitals:  34
+2024-12-09 10:29:19,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,066 - INFO - moving on ...
+2024-12-09 10:29:19,066 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:19,066 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:19,066 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:19,066 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,066 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:19,066 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,066 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,066 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,068 - INFO - number of orbitals:  69
+2024-12-09 10:29:19,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,068 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,068 - INFO - moving on ...
+2024-12-09 10:29:19,068 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:19,068 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,068 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,068 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,070 - INFO - number of orbitals:  70
+2024-12-09 10:29:19,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,070 - INFO - moving on ...
+2024-12-09 10:29:19,070 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:19,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,072 - INFO - number of orbitals:  69
+2024-12-09 10:29:19,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,072 - INFO - moving on ...
+2024-12-09 10:29:19,072 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:19,072 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:19,072 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:19,072 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,072 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:19,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,073 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,074 - INFO - moving on ...
+2024-12-09 10:29:19,074 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:19,074 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:19,074 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:19,074 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,074 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:19,074 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,074 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,074 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,076 - INFO - number of orbitals:  55
+2024-12-09 10:29:19,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,076 - INFO - moving on ...
+2024-12-09 10:29:19,076 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:19,076 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,076 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,076 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,078 - INFO - number of orbitals:  70
+2024-12-09 10:29:19,078 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,078 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,078 - INFO - moving on ...
+2024-12-09 10:29:19,078 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:19,078 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,078 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,079 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,080 - INFO - number of orbitals:  55
+2024-12-09 10:29:19,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,080 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,080 - INFO - moving on ...
+2024-12-09 10:29:19,080 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:19,080 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,080 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,080 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,082 - INFO - number of orbitals:  69
+2024-12-09 10:29:19,082 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,082 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,082 - INFO - moving on ...
+2024-12-09 10:29:19,082 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:19,082 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,082 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,082 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,084 - INFO - number of orbitals:  31
+2024-12-09 10:29:19,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,084 - INFO - moving on ...
+2024-12-09 10:29:19,084 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:19,084 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,084 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,084 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,086 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,086 - INFO - moving on ...
+2024-12-09 10:29:19,086 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:19,086 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,086 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,086 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,088 - INFO - number of orbitals:  55
+2024-12-09 10:29:19,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,088 - INFO - moving on ...
+2024-12-09 10:29:19,088 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:19,088 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,088 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,088 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,090 - INFO - number of orbitals:  69
+2024-12-09 10:29:19,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,090 - INFO - moving on ...
+2024-12-09 10:29:19,090 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:19,090 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,090 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,090 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,091 - INFO - number of orbitals:  31
+2024-12-09 10:29:19,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,091 - INFO - moving on ...
+2024-12-09 10:29:19,091 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:19,092 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,092 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,092 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,093 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,093 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,093 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,093 - INFO - moving on ...
+2024-12-09 10:29:19,093 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:19,093 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,093 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,093 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,095 - INFO - number of orbitals:  31
+2024-12-09 10:29:19,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,095 - INFO - moving on ...
+2024-12-09 10:29:19,095 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:19,095 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,095 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,095 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,097 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,097 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,097 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,097 - INFO - moving on ...
+2024-12-09 10:29:19,097 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:19,097 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,097 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,097 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,099 - INFO - number of orbitals:  31
+2024-12-09 10:29:19,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,099 - INFO - moving on ...
+2024-12-09 10:29:19,099 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:19,099 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,099 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,100 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,101 - INFO - moving on ...
+2024-12-09 10:29:19,101 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:19,101 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,101 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,101 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,102 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,102 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,102 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:19,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:19,102 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:19,118 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,118 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,118 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:19,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,120 - INFO - number of orbitals:  39
+2024-12-09 10:29:19,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,120 - INFO - moving on ...
+2024-12-09 10:29:19,120 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:19,120 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:19,120 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:19,121 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,121 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:19,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,122 - INFO - number of orbitals:  42
+2024-12-09 10:29:19,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,122 - INFO - moving on ...
+2024-12-09 10:29:19,122 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:19,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,123 - INFO - number of orbitals:  90
+2024-12-09 10:29:19,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
+2024-12-09 10:29:19,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,123 - INFO - moving on ...
+2024-12-09 10:29:19,123 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:19,123 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:19,124 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:19,124 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,124 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:19,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,125 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,125 - INFO - moving on ...
+2024-12-09 10:29:19,125 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:19,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,126 - INFO - number of orbitals:  118
+2024-12-09 10:29:19,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,126 - INFO - moving on ...
+2024-12-09 10:29:19,126 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:19,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,128 - INFO - number of orbitals:  68
+2024-12-09 10:29:19,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,128 - INFO - moving on ...
+2024-12-09 10:29:19,128 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:19,128 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:19,128 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:19,128 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,128 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:19,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,129 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,129 - INFO - moving on ...
+2024-12-09 10:29:19,129 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:19,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,130 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,131 - INFO - moving on ...
+2024-12-09 10:29:19,131 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:19,131 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:19,131 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:19,131 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,131 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:19,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,132 - INFO - number of orbitals:  66
+2024-12-09 10:29:19,132 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,132 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,132 - INFO - moving on ...
+2024-12-09 10:29:19,132 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:19,133 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:19,133 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:19,133 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,133 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:19,133 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,133 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,133 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,134 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,135 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,135 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:19,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:19,135 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:19,150 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,150 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,150 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:19,150 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,151 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,151 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,152 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,152 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,153 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:19,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:19,153 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:19,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,169 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,169 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:19,169 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,169 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,169 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,171 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,171 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,171 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:19,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:19,171 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,187 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,187 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:19,187 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,190 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,190 - INFO - moving on ...
+2024-12-09 10:29:19,190 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:19,190 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,190 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,190 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,192 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,192 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,192 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:19,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:19,192 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:19,208 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,209 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,209 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:19,209 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,209 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,209 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,211 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,211 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,211 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:19,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:19,211 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:19,228 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,228 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,228 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:19,228 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,228 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,228 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,230 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,230 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,230 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:19,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:19,230 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:19,246 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,247 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,247 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:19,247 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,247 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,247 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,249 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,249 - INFO - moving on ...
+2024-12-09 10:29:19,249 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:19,249 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,249 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,249 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,251 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,251 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,251 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:19,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:19,251 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:19,267 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,267 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,267 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:19,267 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,267 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,268 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,269 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,269 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,269 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:19,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:19,270 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:19,285 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,285 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,285 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:19,285 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,285 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,285 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,287 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,287 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,287 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:19,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:19,287 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,303 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,303 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,303 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:19,303 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,303 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,303 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,305 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,305 - INFO - moving on ...
+2024-12-09 10:29:19,306 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:19,306 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:19,306 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:19,306 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,306 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:19,306 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,306 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,306 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,308 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,308 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,308 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:19,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:19,308 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:19,324 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,324 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,324 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:19,325 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,325 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,325 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,327 - INFO - number of orbitals:  108
+2024-12-09 10:29:19,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,327 - INFO - moving on ...
+2024-12-09 10:29:19,327 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:19,328 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:19,328 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:19,328 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,328 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:19,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,329 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,330 - INFO - moving on ...
+2024-12-09 10:29:19,330 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:19,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,332 - INFO - number of orbitals:  135
+2024-12-09 10:29:19,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,332 - INFO - moving on ...
+2024-12-09 10:29:19,332 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:19,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,334 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,334 - INFO - moving on ...
+2024-12-09 10:29:19,334 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:19,334 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:19,334 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:19,334 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,334 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:19,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,336 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,336 - INFO - moving on ...
+2024-12-09 10:29:19,336 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:19,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,338 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,338 - INFO - moving on ...
+2024-12-09 10:29:19,338 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:19,338 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:19,338 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:19,338 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,339 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:19,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,340 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,340 - INFO - moving on ...
+2024-12-09 10:29:19,340 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:19,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,342 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,342 - INFO - moving on ...
+2024-12-09 10:29:19,342 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:19,342 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:19,343 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:19,343 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,343 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:19,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,344 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,344 - INFO - moving on ...
+2024-12-09 10:29:19,344 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:19,344 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:19,344 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:19,344 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,344 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:19,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,345 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,346 - INFO - moving on ...
+2024-12-09 10:29:19,346 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:19,346 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:19,346 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:19,346 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,346 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:19,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,347 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,347 - INFO - moving on ...
+2024-12-09 10:29:19,347 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:19,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,349 - INFO - number of orbitals:  118
+2024-12-09 10:29:19,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,349 - INFO - moving on ...
+2024-12-09 10:29:19,349 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:19,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,351 - INFO - number of orbitals:  68
+2024-12-09 10:29:19,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,351 - INFO - moving on ...
+2024-12-09 10:29:19,351 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:19,351 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:19,351 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:19,351 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,351 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:19,351 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,352 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,352 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,353 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,353 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,354 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:19,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:19,354 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,369 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,370 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,370 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:19,370 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,370 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,370 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,372 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,372 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,372 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:19,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:19,372 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:19,387 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,388 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,388 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:19,388 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,388 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,388 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,390 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,390 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:19,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:19,390 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:19,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,407 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,407 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:19,407 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,407 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,407 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,409 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,409 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:19,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:19,409 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,425 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,426 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,426 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:19,426 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,426 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,426 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,428 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,428 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:19,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:19,428 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:19,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,444 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,445 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:19,445 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,446 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,447 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,447 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:19,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:19,447 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:19,462 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,462 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,462 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:19,462 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,462 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,462 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,464 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,464 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,464 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:19,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:19,464 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:19,480 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,480 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,480 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:19,480 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,480 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,480 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,482 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,482 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,483 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:19,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:19,483 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:19,498 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,499 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,499 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:19,499 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:19,499 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:19,499 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,499 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:19,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,500 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,500 - INFO - moving on ...
+2024-12-09 10:29:19,500 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:19,501 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:19,501 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:19,501 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,501 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:19,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,502 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,502 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:19,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:19,502 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:19,518 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,519 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,519 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:19,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:19,519 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,519 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:19,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,520 - INFO - number of orbitals:  76
+2024-12-09 10:29:19,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,520 - INFO - moving on ...
+2024-12-09 10:29:19,520 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:19,521 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:19,521 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:19,521 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,521 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:19,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,522 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,522 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,522 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:19,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:19,522 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:19,538 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,539 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,539 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:19,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:19,539 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,539 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:19,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,540 - INFO - number of orbitals:  119
+2024-12-09 10:29:19,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,540 - INFO - moving on ...
+2024-12-09 10:29:19,540 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:19,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,542 - INFO - number of orbitals:  62
+2024-12-09 10:29:19,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,542 - INFO - moving on ...
+2024-12-09 10:29:19,542 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:19,542 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:19,542 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:19,542 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,542 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:19,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,543 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,543 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,543 - INFO - moving on ...
+2024-12-09 10:29:19,543 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:19,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,545 - INFO - number of orbitals:  135
+2024-12-09 10:29:19,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,545 - INFO - moving on ...
+2024-12-09 10:29:19,545 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:19,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,547 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,547 - INFO - moving on ...
+2024-12-09 10:29:19,547 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:19,547 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:19,547 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:19,547 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,547 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:19,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,549 - INFO - number of orbitals:  36
+2024-12-09 10:29:19,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,549 - INFO - moving on ...
+2024-12-09 10:29:19,549 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:19,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,550 - INFO - number of orbitals:  118
+2024-12-09 10:29:19,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,550 - INFO - moving on ...
+2024-12-09 10:29:19,550 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:19,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,552 - INFO - number of orbitals:  68
+2024-12-09 10:29:19,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,552 - INFO - moving on ...
+2024-12-09 10:29:19,552 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:19,552 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:19,552 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:19,552 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,552 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:19,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,554 - INFO - number of orbitals:  38
+2024-12-09 10:29:19,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,554 - INFO - moving on ...
+2024-12-09 10:29:19,554 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:19,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,556 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,556 - INFO - moving on ...
+2024-12-09 10:29:19,556 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:19,556 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:19,556 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:19,556 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,556 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:19,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,558 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,558 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,558 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:19,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:19,558 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:19,574 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,574 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,575 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:19,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:19,575 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,575 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:19,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,576 - INFO - number of orbitals:  110
+2024-12-09 10:29:19,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,576 - INFO - moving on ...
+2024-12-09 10:29:19,576 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:19,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,577 - INFO - number of orbitals:  60
+2024-12-09 10:29:19,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,578 - INFO - moving on ...
+2024-12-09 10:29:19,578 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:19,578 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:19,578 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:19,578 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,578 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:19,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,579 - INFO - number of orbitals:  38
+2024-12-09 10:29:19,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,579 - INFO - moving on ...
+2024-12-09 10:29:19,579 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:19,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,580 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,580 - INFO - moving on ...
+2024-12-09 10:29:19,580 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:19,581 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:19,581 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:19,581 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,581 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:19,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,582 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,582 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:19,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:19,582 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:19,598 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,598 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,598 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:19,598 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:19,598 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:19,598 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,598 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:19,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,600 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,600 - INFO - moving on ...
+2024-12-09 10:29:19,600 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:19,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,601 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,601 - INFO - moving on ...
+2024-12-09 10:29:19,601 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:19,601 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:19,601 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:19,602 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,602 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:19,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,603 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,603 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,603 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:19,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:19,603 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:19,618 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,619 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,619 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:19,619 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:19,619 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:19,619 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,619 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:19,619 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,619 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,619 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,621 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,621 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,621 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:19,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:19,621 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:19,637 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,638 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,638 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:19,638 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,638 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,638 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,640 - INFO - number of orbitals:  46
+2024-12-09 10:29:19,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,640 - INFO - moving on ...
+2024-12-09 10:29:19,640 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:19,640 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,640 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,640 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,642 - INFO - number of orbitals:  46
+2024-12-09 10:29:19,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,642 - INFO - moving on ...
+2024-12-09 10:29:19,642 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:19,642 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,643 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,643 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,644 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,645 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,645 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:19,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:19,645 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:19,660 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,661 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,661 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:19,661 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:19,661 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:19,661 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,661 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:19,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,662 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,663 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,663 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:19,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:19,663 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:19,678 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,679 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,679 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:19,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:19,679 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,679 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:19,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,681 - INFO - number of orbitals:  85
+2024-12-09 10:29:19,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,681 - INFO - moving on ...
+2024-12-09 10:29:19,681 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:19,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,682 - INFO - number of orbitals:  44
+2024-12-09 10:29:19,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,682 - INFO - moving on ...
+2024-12-09 10:29:19,682 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:19,682 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:19,682 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:19,682 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,683 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:19,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,684 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,684 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,684 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:19,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:19,684 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:19,700 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,700 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,700 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:19,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:19,700 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,700 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:19,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,702 - INFO - number of orbitals:  110
+2024-12-09 10:29:19,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,702 - INFO - moving on ...
+2024-12-09 10:29:19,702 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:19,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,703 - INFO - number of orbitals:  60
+2024-12-09 10:29:19,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,704 - INFO - moving on ...
+2024-12-09 10:29:19,704 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:19,704 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:19,704 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:19,704 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,704 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:19,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,705 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,705 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:19,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:19,705 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:19,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,722 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,722 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:19,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:19,722 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,722 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:19,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,723 - INFO - number of orbitals:  85
+2024-12-09 10:29:19,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,724 - INFO - moving on ...
+2024-12-09 10:29:19,724 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:19,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,725 - INFO - number of orbitals:  44
+2024-12-09 10:29:19,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,725 - INFO - moving on ...
+2024-12-09 10:29:19,725 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:19,725 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:19,725 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:19,725 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,725 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:19,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,726 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,726 - INFO - moving on ...
+2024-12-09 10:29:19,726 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:19,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,728 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,728 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,728 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,728 - INFO - moving on ...
+2024-12-09 10:29:19,728 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:19,728 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:19,728 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:19,728 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,728 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:19,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,729 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,729 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:19,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:19,729 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:19,745 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,746 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,746 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:19,746 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:19,746 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:19,746 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,746 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:19,746 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,746 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,746 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,748 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,748 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,748 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:19,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:19,748 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:19,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,765 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,765 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:19,765 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,765 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,765 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,767 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,767 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,767 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:19,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:19,767 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:19,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,784 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,784 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:19,784 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,784 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,784 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,786 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,786 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,786 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:19,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:19,786 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:19,803 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,803 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,804 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:19,804 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,804 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,804 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,806 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,806 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,806 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:19,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:19,806 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:19,822 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,823 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,823 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:19,823 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,823 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,823 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,825 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,825 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,825 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:19,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:19,825 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:19,844 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,845 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,845 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:19,845 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,845 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,848 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,848 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,848 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:19,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:19,848 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:19,870 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,870 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,870 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:19,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,871 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,872 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,873 - INFO - moving on ...
+2024-12-09 10:29:19,873 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:19,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,875 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:19,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:19,875 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:19,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,891 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,891 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:19,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,894 - INFO - number of orbitals:  42
+2024-12-09 10:29:19,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,894 - INFO - moving on ...
+2024-12-09 10:29:19,894 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:19,894 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:19,894 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:19,894 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,894 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:19,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,895 - INFO - number of orbitals:  54
+2024-12-09 10:29:19,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,895 - INFO - moving on ...
+2024-12-09 10:29:19,895 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:19,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,897 - INFO - number of orbitals:  88
+2024-12-09 10:29:19,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,897 - INFO - moving on ...
+2024-12-09 10:29:19,897 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:19,897 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:19,897 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:19,897 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,897 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:19,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,899 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,899 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:19,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:19,899 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:19,922 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,922 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,922 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:19,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:19,923 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,923 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:19,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,925 - INFO - number of orbitals:  72
+2024-12-09 10:29:19,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,925 - INFO - moving on ...
+2024-12-09 10:29:19,925 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:19,925 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:19,925 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:19,925 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,925 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:19,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,927 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,927 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:19,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:19,927 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:19,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,951 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,951 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:19,951 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:19,951 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:19,951 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,951 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:19,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,953 - INFO - number of orbitals:  48
+2024-12-09 10:29:19,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,954 - INFO - moving on ...
+2024-12-09 10:29:19,954 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:19,954 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:19,954 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:19,954 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,954 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:19,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,956 - INFO - number of orbitals:  48
+2024-12-09 10:29:19,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,956 - INFO - moving on ...
+2024-12-09 10:29:19,956 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:19,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,958 - INFO - number of orbitals:  116
+2024-12-09 10:29:19,958 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,958 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,958 - INFO - moving on ...
+2024-12-09 10:29:19,958 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:19,958 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:19,958 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:19,958 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,958 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:19,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,960 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,960 - INFO - number of supporting files: 2
+2024-12-09 10:29:19,960 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:19,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:19,960 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:19,983 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:19,983 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:19,983 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:19,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:19,984 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:19,984 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:19,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,986 - INFO - number of orbitals:  79
+2024-12-09 10:29:19,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,986 - INFO - moving on ...
+2024-12-09 10:29:19,986 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:19,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,988 - INFO - number of orbitals:  45
+2024-12-09 10:29:19,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:19,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:19,988 - INFO - moving on ...
+2024-12-09 10:29:19,988 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:19,988 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:19,988 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:19,988 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:19,988 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:19,989 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:19,989 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:19,989 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:19,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:19,991 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:19,991 - INFO - number of supporting files: 1
+2024-12-09 10:29:19,991 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:19,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:19,991 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,015 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,015 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,015 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:20,015 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,016 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,016 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,018 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,018 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,018 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:20,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:20,019 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:20,042 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,043 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,043 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:20,043 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,043 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,043 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,046 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,046 - INFO - moving on ...
+2024-12-09 10:29:20,046 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:20,047 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,047 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,047 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,049 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,050 - INFO - moving on ...
+2024-12-09 10:29:20,050 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:20,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,050 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,050 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,053 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,053 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:20,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:20,053 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:20,077 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,078 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,078 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:20,078 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,078 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,078 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,081 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,081 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,081 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:20,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:20,081 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:20,103 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,103 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,103 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:20,103 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,103 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,103 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,105 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,106 - INFO - moving on ...
+2024-12-09 10:29:20,106 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:20,106 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,106 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,106 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,107 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,108 - INFO - moving on ...
+2024-12-09 10:29:20,108 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:20,108 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,108 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,108 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,109 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,110 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,110 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:20,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:20,110 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:20,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,126 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,126 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:20,126 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,127 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,129 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,129 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:20,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:20,129 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:20,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,145 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,145 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:20,145 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,146 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,146 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,147 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,148 - INFO - moving on ...
+2024-12-09 10:29:20,148 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:20,148 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,148 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,148 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,150 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,150 - INFO - moving on ...
+2024-12-09 10:29:20,150 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:20,150 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:20,150 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:20,150 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,150 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:20,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,151 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,151 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:20,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:20,151 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:20,167 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,168 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,168 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:20,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:20,168 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,168 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:20,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,169 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,169 - INFO - moving on ...
+2024-12-09 10:29:20,169 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:20,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,171 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,171 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,171 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:20,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:20,171 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:20,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,187 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,187 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:20,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:20,188 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,188 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:20,188 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:20,188 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:20,188 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,188 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:20,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,189 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,190 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:20,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:20,190 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:20,206 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,206 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,206 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:20,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:20,207 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,207 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:20,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,208 - INFO - number of orbitals:  110
+2024-12-09 10:29:20,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,208 - INFO - moving on ...
+2024-12-09 10:29:20,208 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:20,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,209 - INFO - number of orbitals:  60
+2024-12-09 10:29:20,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,210 - INFO - moving on ...
+2024-12-09 10:29:20,210 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:20,210 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:20,210 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:20,210 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,210 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:20,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,211 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,211 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,211 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:20,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:20,211 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:20,228 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,228 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,228 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:20,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:20,228 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,228 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:20,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,230 - INFO - number of orbitals:  110
+2024-12-09 10:29:20,230 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,230 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,230 - INFO - moving on ...
+2024-12-09 10:29:20,230 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:20,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,231 - INFO - number of orbitals:  60
+2024-12-09 10:29:20,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,231 - INFO - moving on ...
+2024-12-09 10:29:20,231 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:20,232 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:20,232 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:20,232 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,232 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:20,232 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,232 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,232 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,233 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,234 - INFO - moving on ...
+2024-12-09 10:29:20,234 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:20,234 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,234 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,234 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,235 - INFO - number of orbitals:  53
+2024-12-09 10:29:20,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,236 - INFO - moving on ...
+2024-12-09 10:29:20,236 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:20,236 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,236 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,236 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,237 - INFO - number of orbitals:  58
+2024-12-09 10:29:20,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,238 - INFO - moving on ...
+2024-12-09 10:29:20,238 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:20,238 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,238 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,238 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,239 - INFO - number of orbitals:  44
+2024-12-09 10:29:20,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,240 - INFO - moving on ...
+2024-12-09 10:29:20,240 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:20,240 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,240 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,240 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,241 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,242 - INFO - moving on ...
+2024-12-09 10:29:20,242 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:20,242 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,242 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,242 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,243 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,243 - INFO - moving on ...
+2024-12-09 10:29:20,243 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:20,243 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,244 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,244 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,245 - INFO - number of orbitals:  44
+2024-12-09 10:29:20,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,245 - INFO - moving on ...
+2024-12-09 10:29:20,245 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:20,245 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,246 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,246 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,247 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,247 - INFO - moving on ...
+2024-12-09 10:29:20,247 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:20,247 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,247 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,247 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,249 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,249 - INFO - moving on ...
+2024-12-09 10:29:20,249 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:20,249 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:20,249 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:20,249 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,249 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:20,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,251 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,251 - INFO - moving on ...
+2024-12-09 10:29:20,251 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:20,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,252 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,252 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,252 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,252 - INFO - moving on ...
+2024-12-09 10:29:20,252 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:20,252 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:20,252 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:20,252 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,252 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:20,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,253 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,254 - INFO - moving on ...
+2024-12-09 10:29:20,254 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:20,254 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:20,254 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:20,254 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,254 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:20,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,255 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,255 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:20,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:20,255 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:20,273 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,273 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,273 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:20,274 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:20,274 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:20,274 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,274 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:20,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,275 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,275 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,275 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:20,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:20,275 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:20,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,291 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,291 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:20,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:20,291 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,291 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:20,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,292 - INFO - number of orbitals:  74
+2024-12-09 10:29:20,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,293 - INFO - moving on ...
+2024-12-09 10:29:20,293 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:20,293 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:20,293 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:20,293 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,293 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:20,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,294 - INFO - number of orbitals:  38
+2024-12-09 10:29:20,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,294 - INFO - moving on ...
+2024-12-09 10:29:20,294 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:20,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,295 - INFO - number of orbitals:  90
+2024-12-09 10:29:20,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,296 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,296 - INFO - moving on ...
+2024-12-09 10:29:20,296 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:20,296 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:20,296 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:20,296 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,296 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:20,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,297 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,297 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,297 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,297 - INFO - moving on ...
+2024-12-09 10:29:20,297 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:20,297 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:20,297 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:20,297 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,297 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:20,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,299 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,299 - INFO - moving on ...
+2024-12-09 10:29:20,299 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:20,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,300 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,300 - INFO - moving on ...
+2024-12-09 10:29:20,300 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:20,300 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:20,300 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:20,300 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,300 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:20,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,301 - INFO - number of orbitals:  47
+2024-12-09 10:29:20,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,302 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,302 - INFO - moving on ...
+2024-12-09 10:29:20,302 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:20,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,303 - INFO - number of orbitals:  106
+2024-12-09 10:29:20,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,303 - INFO - moving on ...
+2024-12-09 10:29:20,303 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:20,303 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:20,303 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:20,303 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,303 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:20,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,304 - INFO - number of orbitals:  36
+2024-12-09 10:29:20,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,304 - INFO - moving on ...
+2024-12-09 10:29:20,304 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:20,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,306 - INFO - number of orbitals:  118
+2024-12-09 10:29:20,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,306 - INFO - moving on ...
+2024-12-09 10:29:20,306 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:20,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,307 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,307 - INFO - moving on ...
+2024-12-09 10:29:20,307 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:20,307 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:20,307 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:20,307 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,307 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:20,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,308 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,308 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,308 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:20,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:20,308 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:20,323 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,323 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,323 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:20,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:20,323 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,323 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:20,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,325 - INFO - number of orbitals:  114
+2024-12-09 10:29:20,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,325 - INFO - moving on ...
+2024-12-09 10:29:20,325 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:20,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,326 - INFO - number of orbitals:  64
+2024-12-09 10:29:20,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,326 - INFO - moving on ...
+2024-12-09 10:29:20,326 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:20,326 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:20,327 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:20,327 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,327 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:20,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,328 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,328 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,328 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:20,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:20,328 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:20,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,344 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,344 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:20,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:20,344 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,344 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:20,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,346 - INFO - number of orbitals:  115
+2024-12-09 10:29:20,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,346 - INFO - moving on ...
+2024-12-09 10:29:20,346 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:20,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,347 - INFO - number of orbitals:  58
+2024-12-09 10:29:20,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,347 - INFO - moving on ...
+2024-12-09 10:29:20,347 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:20,347 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:20,348 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:20,348 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,348 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:20,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,349 - INFO - number of orbitals:  37
+2024-12-09 10:29:20,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,349 - INFO - moving on ...
+2024-12-09 10:29:20,349 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:20,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,350 - INFO - number of orbitals:  78
+2024-12-09 10:29:20,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,350 - INFO - moving on ...
+2024-12-09 10:29:20,350 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:20,350 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:20,351 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:20,351 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,351 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:20,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,352 - INFO - number of orbitals:  58
+2024-12-09 10:29:20,352 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,352 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,352 - INFO - moving on ...
+2024-12-09 10:29:20,352 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:20,352 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:20,352 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:20,352 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,352 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:20,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,353 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,354 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,354 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:20,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:20,354 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:20,369 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,369 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,369 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:20,370 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:20,370 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:20,370 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,370 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:20,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,371 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,371 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,371 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:20,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:20,371 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:20,387 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,387 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,387 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:20,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:20,387 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,387 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:20,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,389 - INFO - number of orbitals:  86
+2024-12-09 10:29:20,389 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,389 - INFO - moving on ...
+2024-12-09 10:29:20,389 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:20,389 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:20,389 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:20,389 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,389 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:20,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,390 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,390 - INFO - moving on ...
+2024-12-09 10:29:20,390 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:20,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,392 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,392 - INFO - moving on ...
+2024-12-09 10:29:20,392 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:20,392 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:20,392 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:20,392 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,392 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:20,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,393 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,393 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,393 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:20,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:20,393 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:20,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,409 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,409 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:20,410 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:20,410 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:20,410 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,410 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:20,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,411 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,411 - INFO - moving on ...
+2024-12-09 10:29:20,411 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:20,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,412 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,413 - INFO - moving on ...
+2024-12-09 10:29:20,413 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:20,413 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:20,413 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:20,413 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,413 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:20,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,414 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,414 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,414 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,414 - INFO - moving on ...
+2024-12-09 10:29:20,414 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:20,414 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:20,414 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:20,414 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,414 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:20,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,416 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,416 - INFO - moving on ...
+2024-12-09 10:29:20,416 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:20,416 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:20,416 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:20,416 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,416 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:20,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,417 - INFO - number of orbitals:  48
+2024-12-09 10:29:20,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,417 - INFO - moving on ...
+2024-12-09 10:29:20,417 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:20,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,419 - INFO - number of orbitals:  116
+2024-12-09 10:29:20,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,419 - INFO - moving on ...
+2024-12-09 10:29:20,419 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:20,419 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:20,419 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:20,419 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,419 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:20,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,420 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,420 - INFO - moving on ...
+2024-12-09 10:29:20,420 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:20,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,421 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,422 - INFO - moving on ...
+2024-12-09 10:29:20,422 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:20,422 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:20,422 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:20,422 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,422 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:20,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,423 - INFO - number of orbitals:  38
+2024-12-09 10:29:20,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,423 - INFO - moving on ...
+2024-12-09 10:29:20,423 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:20,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,424 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,424 - INFO - moving on ...
+2024-12-09 10:29:20,425 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:20,425 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:20,425 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:20,425 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,425 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:20,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,426 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,426 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,426 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:20,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:20,426 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:20,443 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,443 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,443 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:20,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:20,443 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,443 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:20,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,445 - INFO - number of orbitals:  110
+2024-12-09 10:29:20,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,445 - INFO - moving on ...
+2024-12-09 10:29:20,445 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:20,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,446 - INFO - number of orbitals:  60
+2024-12-09 10:29:20,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,446 - INFO - moving on ...
+2024-12-09 10:29:20,446 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:20,447 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:20,447 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:20,447 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,447 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:20,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,448 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,448 - INFO - moving on ...
+2024-12-09 10:29:20,448 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:20,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,449 - INFO - number of orbitals:  135
+2024-12-09 10:29:20,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,449 - INFO - moving on ...
+2024-12-09 10:29:20,449 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:20,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,450 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,451 - INFO - moving on ...
+2024-12-09 10:29:20,451 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:20,451 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:20,451 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:20,451 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,451 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:20,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,452 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,452 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,452 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:20,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:20,452 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:20,467 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,467 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,467 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:20,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:20,468 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,468 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:20,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,469 - INFO - number of orbitals:  119
+2024-12-09 10:29:20,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,469 - INFO - moving on ...
+2024-12-09 10:29:20,469 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:20,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,470 - INFO - number of orbitals:  62
+2024-12-09 10:29:20,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,470 - INFO - moving on ...
+2024-12-09 10:29:20,470 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:20,471 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:20,471 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:20,471 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,471 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:20,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,472 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,472 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,472 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:20,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:20,472 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:20,487 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,488 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,488 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:20,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:20,488 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,488 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:20,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,489 - INFO - number of orbitals:  64
+2024-12-09 10:29:20,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,489 - INFO - moving on ...
+2024-12-09 10:29:20,489 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:20,490 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:20,490 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:20,490 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,490 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:20,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,491 - INFO - number of orbitals:  52
+2024-12-09 10:29:20,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,491 - INFO - moving on ...
+2024-12-09 10:29:20,491 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:20,491 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:20,491 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:20,491 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,491 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:20,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,493 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,493 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,493 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:20,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:20,493 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:20,509 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,509 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,509 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:20,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:20,509 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,509 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:20,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,511 - INFO - number of orbitals:  89
+2024-12-09 10:29:20,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,511 - INFO - moving on ...
+2024-12-09 10:29:20,511 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:20,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,512 - INFO - number of orbitals:  48
+2024-12-09 10:29:20,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,512 - INFO - moving on ...
+2024-12-09 10:29:20,512 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:20,512 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:20,512 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:20,512 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,513 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:20,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,514 - INFO - number of orbitals:  46
+2024-12-09 10:29:20,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,514 - INFO - moving on ...
+2024-12-09 10:29:20,514 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:20,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,515 - INFO - number of orbitals:  94
+2024-12-09 10:29:20,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,515 - INFO - moving on ...
+2024-12-09 10:29:20,515 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:20,515 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:20,515 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:20,515 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,515 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:20,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,517 - INFO - number of orbitals:  70
+2024-12-09 10:29:20,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,517 - INFO - moving on ...
+2024-12-09 10:29:20,517 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:20,517 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:20,517 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:20,517 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,517 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:20,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,518 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,518 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,518 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:20,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:20,519 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:20,536 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,536 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,536 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:20,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:20,536 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,536 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:20,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,538 - INFO - number of orbitals:  79
+2024-12-09 10:29:20,538 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,538 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,538 - INFO - moving on ...
+2024-12-09 10:29:20,538 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:20,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,539 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,540 - INFO - moving on ...
+2024-12-09 10:29:20,540 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:20,540 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:20,540 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:20,540 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,540 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:20,540 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,540 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,540 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,542 - INFO - number of orbitals:  42
+2024-12-09 10:29:20,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,542 - INFO - moving on ...
+2024-12-09 10:29:20,542 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:20,542 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,543 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,543 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,545 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,545 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:20,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:20,545 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:20,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,562 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,562 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:20,562 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,562 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,562 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,564 - INFO - number of orbitals:  90
+2024-12-09 10:29:20,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,564 - INFO - moving on ...
+2024-12-09 10:29:20,564 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:20,564 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,565 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,565 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,566 - INFO - number of orbitals:  42
+2024-12-09 10:29:20,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,567 - INFO - moving on ...
+2024-12-09 10:29:20,567 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:20,567 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,567 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,567 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,569 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,569 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,569 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:20,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:20,569 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:20,585 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,586 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,586 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:20,586 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,586 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,586 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,588 - INFO - number of orbitals:  90
+2024-12-09 10:29:20,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,588 - INFO - moving on ...
+2024-12-09 10:29:20,588 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:20,589 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:20,589 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:20,589 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,589 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:20,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,590 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,590 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:20,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:20,590 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:20,606 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,606 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,606 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:20,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:20,606 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,606 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:20,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,608 - INFO - number of orbitals:  115
+2024-12-09 10:29:20,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,608 - INFO - moving on ...
+2024-12-09 10:29:20,608 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:20,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,609 - INFO - number of orbitals:  58
+2024-12-09 10:29:20,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,609 - INFO - moving on ...
+2024-12-09 10:29:20,609 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:20,609 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:20,609 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:20,609 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,609 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:20,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,610 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,611 - INFO - moving on ...
+2024-12-09 10:29:20,611 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:20,611 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:20,611 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:20,611 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,611 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:20,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,612 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:20,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:20,612 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:20,629 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,630 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,630 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:20,630 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:20,630 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:20,630 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,630 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:20,630 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,630 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,630 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,632 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,632 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,632 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:20,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:20,633 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:20,650 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,650 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,650 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:20,650 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,651 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,651 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,653 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,653 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,653 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:20,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:20,653 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:20,670 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,671 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,671 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:20,671 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,671 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,671 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,673 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,674 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,674 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:20,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:20,674 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,690 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,690 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,691 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:20,691 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,691 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,691 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,693 - INFO - number of orbitals:  36
+2024-12-09 10:29:20,693 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,693 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,693 - INFO - moving on ...
+2024-12-09 10:29:20,693 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:20,693 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,693 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,693 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,695 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,695 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,695 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:20,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:20,695 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:20,711 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,712 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,712 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:20,712 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,712 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,712 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,714 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,714 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,714 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:20,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:20,714 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,731 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,732 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,732 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:20,732 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:20,732 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:20,732 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,732 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:20,732 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,732 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,732 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,735 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,735 - INFO - moving on ...
+2024-12-09 10:29:20,735 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:20,735 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,735 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,737 - INFO - number of orbitals:  70
+2024-12-09 10:29:20,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,737 - INFO - moving on ...
+2024-12-09 10:29:20,737 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:20,737 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,737 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,737 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,739 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,739 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,739 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,739 - INFO - moving on ...
+2024-12-09 10:29:20,739 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:20,739 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:20,739 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:20,739 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,739 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:20,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,741 - INFO - number of orbitals:  76
+2024-12-09 10:29:20,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,741 - INFO - moving on ...
+2024-12-09 10:29:20,741 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:20,741 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:20,742 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:20,742 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,742 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:20,742 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,742 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,742 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,743 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,744 - INFO - moving on ...
+2024-12-09 10:29:20,744 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:20,744 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,744 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,744 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,746 - INFO - number of orbitals:  70
+2024-12-09 10:29:20,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,746 - INFO - moving on ...
+2024-12-09 10:29:20,746 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:20,746 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,746 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,746 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,748 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,748 - INFO - moving on ...
+2024-12-09 10:29:20,748 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:20,748 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,748 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,748 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,750 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,750 - INFO - moving on ...
+2024-12-09 10:29:20,750 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:20,750 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,750 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,750 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,752 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,752 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,752 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:20,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:20,752 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:20,769 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,769 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,769 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:20,769 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,769 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,769 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,771 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,771 - INFO - moving on ...
+2024-12-09 10:29:20,771 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:20,772 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,772 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,772 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,773 - INFO - number of orbitals:  55
+2024-12-09 10:29:20,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,773 - INFO - moving on ...
+2024-12-09 10:29:20,774 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:20,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,774 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,774 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,775 - INFO - number of orbitals:  69
+2024-12-09 10:29:20,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,776 - INFO - moving on ...
+2024-12-09 10:29:20,776 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:20,776 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,776 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,776 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,777 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,777 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:20,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:20,778 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:20,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,794 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,795 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:20,795 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,795 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,797 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,797 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,797 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,797 - INFO - moving on ...
+2024-12-09 10:29:20,797 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:20,797 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,797 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,797 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,799 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,799 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,799 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:20,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:20,799 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:20,815 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,816 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,816 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:20,816 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,816 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,816 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,818 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,818 - INFO - moving on ...
+2024-12-09 10:29:20,818 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:20,818 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,818 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,818 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,820 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,820 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,820 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:20,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:20,820 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:20,837 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,837 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,837 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:20,837 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,837 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,837 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,839 - INFO - number of orbitals:  45
+2024-12-09 10:29:20,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,839 - INFO - moving on ...
+2024-12-09 10:29:20,839 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:20,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,840 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,840 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,841 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,841 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:20,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:20,841 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:20,858 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,858 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,858 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:20,858 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,858 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,858 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,860 - INFO - number of orbitals:  39
+2024-12-09 10:29:20,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,860 - INFO - moving on ...
+2024-12-09 10:29:20,860 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:20,861 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:20,861 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:20,861 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,861 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:20,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,862 - INFO - number of orbitals:  42
+2024-12-09 10:29:20,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,862 - INFO - moving on ...
+2024-12-09 10:29:20,862 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:20,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,863 - INFO - number of orbitals:  90
+2024-12-09 10:29:20,863 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
+2024-12-09 10:29:20,863 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,863 - INFO - moving on ...
+2024-12-09 10:29:20,863 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:20,864 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:20,864 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:20,864 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,864 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:20,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,865 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,865 - INFO - number of supporting files: 2
+2024-12-09 10:29:20,865 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:20,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:20,865 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:20,880 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,881 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,881 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:20,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:20,881 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:20,881 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:20,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,882 - INFO - number of orbitals:  118
+2024-12-09 10:29:20,882 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,882 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,882 - INFO - moving on ...
+2024-12-09 10:29:20,883 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:20,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,884 - INFO - number of orbitals:  68
+2024-12-09 10:29:20,884 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,884 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,884 - INFO - moving on ...
+2024-12-09 10:29:20,884 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:20,884 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:20,884 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:20,884 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,884 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:20,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,885 - INFO - number of orbitals:  54
+2024-12-09 10:29:20,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,885 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,885 - INFO - moving on ...
+2024-12-09 10:29:20,885 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:20,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,887 - INFO - number of orbitals:  88
+2024-12-09 10:29:20,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,887 - INFO - moving on ...
+2024-12-09 10:29:20,887 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:20,887 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:20,887 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:20,887 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,887 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:20,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,888 - INFO - number of orbitals:  66
+2024-12-09 10:29:20,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:20,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:20,888 - INFO - moving on ...
+2024-12-09 10:29:20,888 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:20,889 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:20,889 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:20,889 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:20,889 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:20,889 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,889 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,889 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,891 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,891 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,891 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:20,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:20,891 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:20,908 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,908 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,908 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:20,908 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,908 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,908 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,910 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,910 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,910 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:20,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:20,910 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:20,926 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,927 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,927 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:20,927 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,927 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,927 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,929 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,929 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,929 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:20,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:20,929 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,945 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,946 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,946 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:20,946 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,946 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,946 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,948 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,948 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,948 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:20,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:20,948 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:20,963 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,964 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,964 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:20,964 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,964 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,964 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,966 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,966 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,966 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:20,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:20,966 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:20,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:20,982 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:20,982 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:20,982 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:20,982 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:20,982 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:20,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:20,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:20,984 - INFO - number of supporting files: 1
+2024-12-09 10:29:20,984 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:20,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:20,984 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:21,000 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,001 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,001 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:21,001 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,001 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,001 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,003 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,003 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,003 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:21,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:21,003 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:21,019 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,020 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,020 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:21,020 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,020 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,020 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,022 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,022 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,022 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:21,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:21,022 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:21,038 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,038 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,038 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:21,038 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,039 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,039 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,040 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,041 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,041 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:21,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:21,041 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:21,057 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,058 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,058 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:21,058 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,058 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,058 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,060 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,060 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:21,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:21,060 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:21,076 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,077 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,077 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:21,077 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,077 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,077 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,079 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,079 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:21,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:21,079 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,096 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,096 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:21,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,098 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:21,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:21,098 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:21,114 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,115 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,115 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:21,115 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:21,115 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:21,115 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,115 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:21,115 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,115 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,115 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,117 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,118 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,118 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:21,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:21,118 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:21,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,136 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,136 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:21,136 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,136 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,136 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,138 - INFO - number of orbitals:  108
+2024-12-09 10:29:21,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,138 - INFO - moving on ...
+2024-12-09 10:29:21,138 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:21,138 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:21,138 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:21,138 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,138 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:21,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,140 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,140 - INFO - moving on ...
+2024-12-09 10:29:21,140 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:21,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,141 - INFO - number of orbitals:  135
+2024-12-09 10:29:21,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,141 - INFO - moving on ...
+2024-12-09 10:29:21,141 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:21,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,142 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,143 - INFO - moving on ...
+2024-12-09 10:29:21,143 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:21,143 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:21,143 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:21,143 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,143 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:21,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,144 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,144 - INFO - moving on ...
+2024-12-09 10:29:21,144 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:21,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,145 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,146 - INFO - moving on ...
+2024-12-09 10:29:21,146 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:21,146 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:21,146 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:21,146 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,146 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:21,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,147 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,147 - INFO - moving on ...
+2024-12-09 10:29:21,147 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:21,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,148 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,149 - INFO - moving on ...
+2024-12-09 10:29:21,149 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:21,149 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:21,149 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:21,149 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,149 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:21,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,150 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,150 - INFO - moving on ...
+2024-12-09 10:29:21,150 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:21,150 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:21,150 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:21,150 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,150 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:21,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,152 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,152 - INFO - moving on ...
+2024-12-09 10:29:21,152 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:21,152 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:21,152 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:21,152 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,152 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:21,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,153 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,153 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,153 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:21,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:21,153 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:21,170 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,171 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,171 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:21,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:21,171 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,171 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:21,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,172 - INFO - number of orbitals:  118
+2024-12-09 10:29:21,173 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,173 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,173 - INFO - moving on ...
+2024-12-09 10:29:21,173 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:21,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,174 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,174 - INFO - moving on ...
+2024-12-09 10:29:21,174 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:21,174 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:21,174 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:21,174 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,174 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:21,174 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,175 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,175 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,176 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,176 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,176 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:21,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:21,176 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,193 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,193 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:21,193 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,193 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,193 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,195 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,195 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,195 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:21,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:21,196 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:21,212 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,212 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,213 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:21,213 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,213 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,213 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,215 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,215 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,215 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:21,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:21,215 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:21,231 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,231 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,232 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:21,232 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,232 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,232 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,234 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,234 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,234 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:21,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:21,234 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,250 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,251 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,251 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:21,251 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,251 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,251 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,253 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,253 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,253 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:21,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:21,253 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:21,270 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,270 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,270 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:21,270 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,271 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,271 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,273 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,273 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:21,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:21,273 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:21,289 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,289 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,290 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:21,290 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,290 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,290 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,292 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,292 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:21,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:21,292 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:21,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,309 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,309 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:21,309 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,309 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,309 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,311 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,311 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:21,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:21,311 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:21,327 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,328 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,328 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:21,328 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:21,328 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:21,328 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,328 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:21,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,330 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,330 - INFO - moving on ...
+2024-12-09 10:29:21,330 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:21,330 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:21,330 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:21,330 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,330 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:21,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,332 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,332 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:21,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:21,332 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:21,347 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,348 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,348 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:21,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:21,348 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,348 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:21,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,349 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,349 - INFO - moving on ...
+2024-12-09 10:29:21,350 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:21,350 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:21,350 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:21,350 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,350 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:21,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,351 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,351 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,351 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:21,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:21,351 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:21,368 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,369 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,369 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:21,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:21,369 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,369 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:21,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,370 - INFO - number of orbitals:  119
+2024-12-09 10:29:21,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,370 - INFO - moving on ...
+2024-12-09 10:29:21,371 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:21,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,372 - INFO - number of orbitals:  62
+2024-12-09 10:29:21,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,372 - INFO - moving on ...
+2024-12-09 10:29:21,372 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:21,372 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:21,372 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:21,372 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,372 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:21,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,373 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,374 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,374 - INFO - moving on ...
+2024-12-09 10:29:21,374 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:21,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,375 - INFO - number of orbitals:  135
+2024-12-09 10:29:21,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,375 - INFO - moving on ...
+2024-12-09 10:29:21,375 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:21,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,376 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,376 - INFO - moving on ...
+2024-12-09 10:29:21,376 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:21,376 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:21,376 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:21,376 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,377 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:21,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,378 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,378 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,378 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:21,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:21,378 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:21,395 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,395 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,395 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:21,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:21,395 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,395 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:21,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,397 - INFO - number of orbitals:  118
+2024-12-09 10:29:21,397 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,397 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,397 - INFO - moving on ...
+2024-12-09 10:29:21,397 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:21,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,398 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,398 - INFO - moving on ...
+2024-12-09 10:29:21,398 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:21,398 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:21,399 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:21,399 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,399 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:21,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,400 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,400 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,400 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:21,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:21,400 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:21,417 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,417 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,417 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:21,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:21,417 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,417 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:21,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,419 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,419 - INFO - moving on ...
+2024-12-09 10:29:21,419 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:21,419 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:21,419 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:21,419 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,419 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:21,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,421 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,421 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,421 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:21,421 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:21,421 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:21,438 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,438 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,438 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:21,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:21,438 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,438 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:21,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,440 - INFO - number of orbitals:  110
+2024-12-09 10:29:21,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,440 - INFO - moving on ...
+2024-12-09 10:29:21,440 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:21,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,441 - INFO - number of orbitals:  60
+2024-12-09 10:29:21,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,441 - INFO - moving on ...
+2024-12-09 10:29:21,441 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:21,441 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:21,441 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:21,441 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,442 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:21,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,443 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,443 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,443 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:21,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:21,443 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:21,459 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,460 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,460 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:21,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:21,460 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,460 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:21,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,461 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,461 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,461 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,461 - INFO - moving on ...
+2024-12-09 10:29:21,461 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:21,462 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:21,462 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:21,462 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,462 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:21,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,463 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,463 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,463 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:21,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:21,463 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:21,479 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,479 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,479 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:21,479 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:21,479 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:21,479 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,479 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:21,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,481 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,481 - INFO - moving on ...
+2024-12-09 10:29:21,481 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:21,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,482 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,482 - INFO - moving on ...
+2024-12-09 10:29:21,482 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:21,482 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:21,482 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:21,483 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,483 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:21,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,484 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,484 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,484 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:21,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:21,484 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:21,500 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,501 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,501 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:21,501 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:21,501 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:21,501 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,501 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:21,501 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,501 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,501 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,503 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,503 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,503 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:21,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:21,503 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:21,519 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,520 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,520 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:21,520 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,520 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,520 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,522 - INFO - number of orbitals:  46
+2024-12-09 10:29:21,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,522 - INFO - moving on ...
+2024-12-09 10:29:21,522 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:21,522 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,523 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,523 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,525 - INFO - number of orbitals:  46
+2024-12-09 10:29:21,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,525 - INFO - moving on ...
+2024-12-09 10:29:21,525 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:21,525 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,525 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,525 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,527 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,527 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,527 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:21,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:21,527 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:21,544 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,544 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,544 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:21,544 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:21,544 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:21,544 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,544 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:21,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,546 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,546 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:21,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:21,546 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:21,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,562 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,562 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:21,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:21,562 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,562 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:21,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,564 - INFO - number of orbitals:  85
+2024-12-09 10:29:21,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,564 - INFO - moving on ...
+2024-12-09 10:29:21,564 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:21,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,565 - INFO - number of orbitals:  44
+2024-12-09 10:29:21,565 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,565 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,565 - INFO - moving on ...
+2024-12-09 10:29:21,565 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:21,566 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:21,566 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:21,566 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,566 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:21,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,567 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,567 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,567 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:21,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:21,567 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,584 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,584 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,584 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:21,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:21,584 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,584 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:21,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,586 - INFO - number of orbitals:  110
+2024-12-09 10:29:21,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,586 - INFO - moving on ...
+2024-12-09 10:29:21,586 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:21,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,587 - INFO - number of orbitals:  60
+2024-12-09 10:29:21,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,587 - INFO - moving on ...
+2024-12-09 10:29:21,587 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:21,587 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:21,587 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:21,587 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,587 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:21,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,589 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,589 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,589 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:21,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:21,589 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:21,605 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,605 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,605 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:21,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:21,605 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,605 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:21,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,607 - INFO - number of orbitals:  85
+2024-12-09 10:29:21,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,607 - INFO - moving on ...
+2024-12-09 10:29:21,607 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:21,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,608 - INFO - number of orbitals:  44
+2024-12-09 10:29:21,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,608 - INFO - moving on ...
+2024-12-09 10:29:21,608 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:21,608 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:21,608 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:21,608 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,608 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:21,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,610 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,610 - INFO - moving on ...
+2024-12-09 10:29:21,610 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:21,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,611 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,611 - INFO - moving on ...
+2024-12-09 10:29:21,611 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:21,611 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:21,611 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:21,611 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,611 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:21,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,612 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:21,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:21,613 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:21,628 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,629 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,629 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:21,629 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:21,629 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:21,629 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,629 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:21,629 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,629 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,630 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,631 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,631 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,631 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:21,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:21,632 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:21,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,650 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,650 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:21,650 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,650 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,650 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,652 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,652 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,652 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:21,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:21,652 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:21,669 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,670 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,670 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:21,670 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,670 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,670 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,672 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,672 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,672 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:21,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:21,672 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:21,688 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,689 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,689 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:21,689 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,689 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,689 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,691 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,691 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,691 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:21,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:21,691 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:21,707 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,708 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,708 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:21,708 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,708 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,708 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,710 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,710 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,710 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:21,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:21,710 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:21,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,727 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,727 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:21,727 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,727 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,727 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,729 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,729 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:21,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:21,729 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:21,746 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,746 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,746 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:21,746 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,746 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,746 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,748 - INFO - number of orbitals:  45
+2024-12-09 10:29:21,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,748 - INFO - moving on ...
+2024-12-09 10:29:21,748 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:21,748 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,749 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,749 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,750 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,750 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,750 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:21,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:21,750 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:21,766 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,766 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,767 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:21,767 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,767 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,767 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,769 - INFO - number of orbitals:  42
+2024-12-09 10:29:21,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,769 - INFO - moving on ...
+2024-12-09 10:29:21,769 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:21,769 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:21,769 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:21,769 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,769 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:21,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,770 - INFO - number of orbitals:  54
+2024-12-09 10:29:21,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,770 - INFO - moving on ...
+2024-12-09 10:29:21,770 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:21,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,772 - INFO - number of orbitals:  88
+2024-12-09 10:29:21,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,772 - INFO - moving on ...
+2024-12-09 10:29:21,772 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:21,772 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:21,772 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:21,772 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,772 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:21,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,773 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,773 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,773 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:21,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:21,773 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:21,791 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,792 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,792 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:21,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:21,792 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,792 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:21,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,793 - INFO - number of orbitals:  72
+2024-12-09 10:29:21,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,793 - INFO - moving on ...
+2024-12-09 10:29:21,793 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:21,794 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:21,794 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:21,794 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,794 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:21,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,795 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,795 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,795 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:21,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:21,795 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:21,811 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,812 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,812 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:21,812 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:21,812 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:21,812 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,812 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:21,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,814 - INFO - number of orbitals:  48
+2024-12-09 10:29:21,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,814 - INFO - moving on ...
+2024-12-09 10:29:21,814 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:21,814 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:21,814 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:21,814 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,814 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:21,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,815 - INFO - number of orbitals:  48
+2024-12-09 10:29:21,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,816 - INFO - moving on ...
+2024-12-09 10:29:21,816 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:21,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,817 - INFO - number of orbitals:  116
+2024-12-09 10:29:21,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,817 - INFO - moving on ...
+2024-12-09 10:29:21,817 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:21,817 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:21,817 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:21,817 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,817 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:21,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,818 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,818 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,818 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:21,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:21,818 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:21,835 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,835 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,835 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:21,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:21,835 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,835 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:21,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,837 - INFO - number of orbitals:  79
+2024-12-09 10:29:21,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,837 - INFO - moving on ...
+2024-12-09 10:29:21,837 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:21,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,838 - INFO - number of orbitals:  45
+2024-12-09 10:29:21,838 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,838 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,838 - INFO - moving on ...
+2024-12-09 10:29:21,838 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:21,838 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:21,838 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:21,839 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,839 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:21,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,839 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,839 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,840 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,840 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,840 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:21,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:21,841 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:21,856 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,857 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,857 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:21,857 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,857 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,857 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,859 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,859 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,859 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:21,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:21,859 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:21,875 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,875 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,875 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:21,876 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,876 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,876 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,878 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,878 - INFO - moving on ...
+2024-12-09 10:29:21,878 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:21,878 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,878 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,878 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,879 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,880 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,880 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,880 - INFO - moving on ...
+2024-12-09 10:29:21,880 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:21,880 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,880 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,880 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,881 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,881 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,881 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:21,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:21,882 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:21,898 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,898 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,898 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:21,898 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,899 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,899 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,901 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,901 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,901 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:21,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:21,901 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:21,917 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,917 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,917 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:21,917 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,917 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,917 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,919 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,919 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,919 - INFO - moving on ...
+2024-12-09 10:29:21,919 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:21,919 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,919 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,919 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,921 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,921 - INFO - moving on ...
+2024-12-09 10:29:21,921 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:21,921 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,922 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,922 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,923 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,923 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,923 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:21,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:21,923 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:21,939 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,940 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,940 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:21,940 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,940 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,940 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,942 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,942 - INFO - number of supporting files: 1
+2024-12-09 10:29:21,942 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:21,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:21,942 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:21,958 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,959 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,959 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:21,959 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,959 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,959 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,961 - INFO - number of orbitals:  68
+2024-12-09 10:29:21,961 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,961 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,961 - INFO - moving on ...
+2024-12-09 10:29:21,961 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:21,961 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:21,961 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:21,961 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:21,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,963 - INFO - number of orbitals:  76
+2024-12-09 10:29:21,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,963 - INFO - moving on ...
+2024-12-09 10:29:21,963 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:21,964 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:21,964 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:21,964 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:21,964 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:21,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,965 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,965 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:21,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:21,965 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:21,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:21,981 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:21,981 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:21,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:21,981 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:21,982 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:21,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,983 - INFO - number of orbitals:  55
+2024-12-09 10:29:21,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:21,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:21,983 - INFO - moving on ...
+2024-12-09 10:29:21,983 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:21,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:21,985 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:21,985 - INFO - number of supporting files: 2
+2024-12-09 10:29:21,985 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:21,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:21,985 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:22,001 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,002 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,002 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:22,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:22,002 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,002 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:22,002 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:22,002 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:22,002 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,002 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:22,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,004 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,004 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,004 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:22,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:22,004 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:22,021 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,021 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,022 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:22,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:22,022 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,022 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:22,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,023 - INFO - number of orbitals:  110
+2024-12-09 10:29:22,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,024 - INFO - moving on ...
+2024-12-09 10:29:22,024 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:22,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,025 - INFO - number of orbitals:  60
+2024-12-09 10:29:22,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,025 - INFO - moving on ...
+2024-12-09 10:29:22,025 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:22,025 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:22,025 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:22,025 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,025 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:22,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,027 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,027 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:22,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:22,027 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:22,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,044 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,044 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:22,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:22,044 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,044 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:22,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,045 - INFO - number of orbitals:  110
+2024-12-09 10:29:22,045 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,046 - INFO - moving on ...
+2024-12-09 10:29:22,046 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:22,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,047 - INFO - number of orbitals:  60
+2024-12-09 10:29:22,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,047 - INFO - moving on ...
+2024-12-09 10:29:22,047 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:22,047 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:22,047 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:22,047 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,047 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:22,047 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,048 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,048 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,049 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,049 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,049 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,049 - INFO - moving on ...
+2024-12-09 10:29:22,050 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:22,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,050 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,050 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,051 - INFO - number of orbitals:  53
+2024-12-09 10:29:22,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,051 - INFO - moving on ...
+2024-12-09 10:29:22,052 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:22,052 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,052 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,052 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,053 - INFO - number of orbitals:  58
+2024-12-09 10:29:22,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,053 - INFO - moving on ...
+2024-12-09 10:29:22,053 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:22,054 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,054 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,054 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,055 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,055 - INFO - number of orbitals:  44
+2024-12-09 10:29:22,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,056 - INFO - moving on ...
+2024-12-09 10:29:22,056 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:22,056 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,056 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,056 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,058 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,058 - INFO - moving on ...
+2024-12-09 10:29:22,058 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:22,058 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,058 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,058 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,060 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,060 - INFO - moving on ...
+2024-12-09 10:29:22,060 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:22,060 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,060 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,060 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,062 - INFO - number of orbitals:  44
+2024-12-09 10:29:22,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,062 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,062 - INFO - moving on ...
+2024-12-09 10:29:22,062 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:22,062 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,062 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,062 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,064 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,064 - INFO - moving on ...
+2024-12-09 10:29:22,064 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:22,064 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,066 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,066 - INFO - moving on ...
+2024-12-09 10:29:22,066 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:22,066 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:22,066 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:22,066 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,066 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:22,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,068 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,068 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,068 - INFO - moving on ...
+2024-12-09 10:29:22,068 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:22,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,069 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,069 - INFO - moving on ...
+2024-12-09 10:29:22,069 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:22,069 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:22,069 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:22,069 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,069 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:22,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,070 - INFO - number of orbitals:  76
+2024-12-09 10:29:22,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,071 - INFO - moving on ...
+2024-12-09 10:29:22,071 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:22,071 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:22,071 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:22,071 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,071 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:22,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,072 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,072 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:22,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:22,072 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:22,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,089 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,089 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:22,089 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:22,089 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:22,089 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,089 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:22,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,091 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,091 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:22,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:22,091 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:22,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,107 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,107 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:22,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:22,107 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,107 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:22,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,108 - INFO - number of orbitals:  74
+2024-12-09 10:29:22,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,109 - INFO - moving on ...
+2024-12-09 10:29:22,109 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:22,109 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:22,109 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:22,109 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,109 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:22,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,110 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,110 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,110 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:22,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:22,110 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:22,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,126 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,127 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:22,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:22,127 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,127 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:22,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,128 - INFO - number of orbitals:  90
+2024-12-09 10:29:22,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,128 - INFO - moving on ...
+2024-12-09 10:29:22,128 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:22,128 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:22,128 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:22,128 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,128 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:22,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,130 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,130 - INFO - moving on ...
+2024-12-09 10:29:22,130 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:22,130 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:22,130 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:22,130 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,130 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:22,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,131 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,131 - INFO - moving on ...
+2024-12-09 10:29:22,131 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:22,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,133 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,133 - INFO - moving on ...
+2024-12-09 10:29:22,133 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:22,133 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:22,133 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:22,133 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,133 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:22,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,134 - INFO - number of orbitals:  47
+2024-12-09 10:29:22,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,134 - INFO - moving on ...
+2024-12-09 10:29:22,134 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:22,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,136 - INFO - number of orbitals:  106
+2024-12-09 10:29:22,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,136 - INFO - moving on ...
+2024-12-09 10:29:22,136 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:22,136 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:22,136 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:22,136 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,136 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:22,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,137 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,137 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,137 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:22,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:22,137 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:22,154 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,154 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,154 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:22,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:22,154 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,154 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:22,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,156 - INFO - number of orbitals:  118
+2024-12-09 10:29:22,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,156 - INFO - moving on ...
+2024-12-09 10:29:22,156 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:22,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,157 - INFO - number of orbitals:  68
+2024-12-09 10:29:22,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,157 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,158 - INFO - moving on ...
+2024-12-09 10:29:22,158 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:22,158 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:22,158 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:22,158 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,158 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:22,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,159 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,159 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:22,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:22,159 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:22,176 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,176 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,176 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:22,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:22,176 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,176 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:22,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,178 - INFO - number of orbitals:  114
+2024-12-09 10:29:22,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,178 - INFO - moving on ...
+2024-12-09 10:29:22,178 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:22,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,179 - INFO - number of orbitals:  64
+2024-12-09 10:29:22,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,179 - INFO - moving on ...
+2024-12-09 10:29:22,179 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:22,180 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:22,180 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:22,180 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,180 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:22,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,181 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,181 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:22,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:22,181 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:22,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,198 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,198 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:22,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:22,198 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,198 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:22,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,200 - INFO - number of orbitals:  115
+2024-12-09 10:29:22,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,200 - INFO - moving on ...
+2024-12-09 10:29:22,200 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:22,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,201 - INFO - number of orbitals:  58
+2024-12-09 10:29:22,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,201 - INFO - moving on ...
+2024-12-09 10:29:22,201 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:22,202 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:22,202 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:22,202 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,202 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:22,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,203 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,203 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,203 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:22,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:22,203 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:22,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,220 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,220 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:22,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:22,220 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,220 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:22,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,221 - INFO - number of orbitals:  78
+2024-12-09 10:29:22,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,221 - INFO - moving on ...
+2024-12-09 10:29:22,221 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:22,221 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:22,222 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:22,222 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,222 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:22,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,223 - INFO - number of orbitals:  58
+2024-12-09 10:29:22,223 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,223 - INFO - moving on ...
+2024-12-09 10:29:22,223 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:22,223 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:22,223 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:22,223 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,223 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:22,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,224 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,224 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,224 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:22,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:22,225 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:22,240 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,241 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,241 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:22,241 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:22,241 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:22,241 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,241 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:22,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,243 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,243 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,243 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:22,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:22,243 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:22,259 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,260 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,260 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:22,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:22,260 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,260 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:22,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,261 - INFO - number of orbitals:  86
+2024-12-09 10:29:22,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,262 - INFO - moving on ...
+2024-12-09 10:29:22,262 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:22,262 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:22,262 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:22,262 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,262 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:22,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,263 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,263 - INFO - moving on ...
+2024-12-09 10:29:22,263 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:22,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,264 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,265 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,265 - INFO - moving on ...
+2024-12-09 10:29:22,265 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:22,265 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:22,265 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:22,265 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,265 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:22,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,266 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,266 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:22,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:22,266 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:22,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,283 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,283 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:22,283 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:22,283 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:22,283 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,283 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:22,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,284 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,285 - INFO - moving on ...
+2024-12-09 10:29:22,285 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:22,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,286 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,286 - INFO - moving on ...
+2024-12-09 10:29:22,286 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:22,286 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:22,286 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:22,286 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,286 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:22,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,288 - INFO - number of orbitals:  76
+2024-12-09 10:29:22,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,288 - INFO - moving on ...
+2024-12-09 10:29:22,288 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:22,288 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:22,288 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:22,288 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,288 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:22,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,289 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,289 - INFO - moving on ...
+2024-12-09 10:29:22,289 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:22,289 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:22,290 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:22,290 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,290 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:22,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,291 - INFO - number of orbitals:  48
+2024-12-09 10:29:22,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,291 - INFO - moving on ...
+2024-12-09 10:29:22,291 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:22,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,292 - INFO - number of orbitals:  116
+2024-12-09 10:29:22,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,292 - INFO - moving on ...
+2024-12-09 10:29:22,292 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:22,292 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:22,292 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:22,292 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,292 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:22,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,294 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,294 - INFO - moving on ...
+2024-12-09 10:29:22,294 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:22,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,295 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,295 - INFO - moving on ...
+2024-12-09 10:29:22,295 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:22,295 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:22,295 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:22,295 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,295 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:22,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,297 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,297 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,297 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:22,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:22,297 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:22,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,314 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,314 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:22,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:22,314 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,314 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:22,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,315 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,316 - INFO - moving on ...
+2024-12-09 10:29:22,316 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:22,316 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:22,316 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:22,316 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,316 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:22,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,317 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,317 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,317 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:22,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:22,317 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:22,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,334 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,334 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:22,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:22,334 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,334 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:22,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,336 - INFO - number of orbitals:  110
+2024-12-09 10:29:22,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,336 - INFO - moving on ...
+2024-12-09 10:29:22,336 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:22,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,337 - INFO - number of orbitals:  60
+2024-12-09 10:29:22,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,337 - INFO - moving on ...
+2024-12-09 10:29:22,337 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:22,337 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:22,337 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:22,337 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,337 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:22,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,339 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,339 - INFO - moving on ...
+2024-12-09 10:29:22,339 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:22,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,340 - INFO - number of orbitals:  135
+2024-12-09 10:29:22,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,340 - INFO - moving on ...
+2024-12-09 10:29:22,340 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:22,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,341 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,341 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,341 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,342 - INFO - moving on ...
+2024-12-09 10:29:22,342 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:22,342 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:22,342 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:22,342 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,342 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:22,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,343 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,343 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,343 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:22,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:22,343 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:22,360 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,360 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,361 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:22,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:22,361 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,361 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:22,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,362 - INFO - number of orbitals:  119
+2024-12-09 10:29:22,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,362 - INFO - moving on ...
+2024-12-09 10:29:22,362 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:22,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,364 - INFO - number of orbitals:  62
+2024-12-09 10:29:22,364 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,364 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,364 - INFO - moving on ...
+2024-12-09 10:29:22,364 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:22,364 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:22,364 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:22,364 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,364 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:22,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,365 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,365 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,365 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:22,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:22,366 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:22,382 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,382 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,382 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:22,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:22,382 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,382 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:22,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,384 - INFO - number of orbitals:  64
+2024-12-09 10:29:22,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,384 - INFO - moving on ...
+2024-12-09 10:29:22,384 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:22,384 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:22,384 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:22,384 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,384 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:22,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,385 - INFO - number of orbitals:  52
+2024-12-09 10:29:22,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,386 - INFO - moving on ...
+2024-12-09 10:29:22,386 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:22,386 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:22,386 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:22,386 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,386 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:22,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,387 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,387 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,387 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:22,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:22,387 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:22,403 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,404 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,404 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:22,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:22,404 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,404 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:22,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,406 - INFO - number of orbitals:  89
+2024-12-09 10:29:22,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,406 - INFO - moving on ...
+2024-12-09 10:29:22,406 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:22,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,407 - INFO - number of orbitals:  48
+2024-12-09 10:29:22,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,407 - INFO - moving on ...
+2024-12-09 10:29:22,407 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:22,407 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:22,407 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:22,407 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,408 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:22,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,409 - INFO - number of orbitals:  46
+2024-12-09 10:29:22,409 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,409 - INFO - moving on ...
+2024-12-09 10:29:22,409 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:22,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,410 - INFO - number of orbitals:  94
+2024-12-09 10:29:22,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,410 - INFO - moving on ...
+2024-12-09 10:29:22,410 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:22,410 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:22,410 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:22,410 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,410 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:22,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,412 - INFO - number of orbitals:  70
+2024-12-09 10:29:22,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,412 - INFO - moving on ...
+2024-12-09 10:29:22,412 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:22,412 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:22,412 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:22,412 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,412 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:22,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,413 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,413 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:22,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:22,413 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:22,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,431 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,431 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:22,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:22,431 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,431 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:22,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,433 - INFO - number of orbitals:  79
+2024-12-09 10:29:22,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,433 - INFO - moving on ...
+2024-12-09 10:29:22,433 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:22,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,434 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,434 - INFO - moving on ...
+2024-12-09 10:29:22,434 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:22,435 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:22,435 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:22,435 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,435 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:22,435 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,435 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,435 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,437 - INFO - number of orbitals:  42
+2024-12-09 10:29:22,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,437 - INFO - moving on ...
+2024-12-09 10:29:22,437 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:22,437 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,437 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,437 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,439 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,439 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,439 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:22,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:22,439 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:22,455 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,456 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,456 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:22,456 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,456 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,456 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,458 - INFO - number of orbitals:  90
+2024-12-09 10:29:22,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,458 - INFO - moving on ...
+2024-12-09 10:29:22,458 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:22,458 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,458 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,458 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,460 - INFO - number of orbitals:  42
+2024-12-09 10:29:22,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,460 - INFO - moving on ...
+2024-12-09 10:29:22,460 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:22,460 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,460 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,460 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,462 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,462 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,462 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:22,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:22,462 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:22,478 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,478 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,478 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:22,479 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,479 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,479 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,481 - INFO - number of orbitals:  90
+2024-12-09 10:29:22,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,481 - INFO - moving on ...
+2024-12-09 10:29:22,481 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:22,481 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:22,481 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:22,481 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,481 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:22,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,482 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,482 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,482 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:22,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:22,483 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:22,498 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,499 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,499 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:22,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:22,499 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,499 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:22,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,501 - INFO - number of orbitals:  115
+2024-12-09 10:29:22,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,501 - INFO - moving on ...
+2024-12-09 10:29:22,501 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:22,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,502 - INFO - number of orbitals:  58
+2024-12-09 10:29:22,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,502 - INFO - moving on ...
+2024-12-09 10:29:22,502 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:22,502 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:22,502 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:22,502 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,502 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:22,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,504 - INFO - number of orbitals:  76
+2024-12-09 10:29:22,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,504 - INFO - moving on ...
+2024-12-09 10:29:22,504 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:22,504 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:22,504 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:22,504 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,504 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:22,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,505 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,505 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,505 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:22,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:22,505 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:22,522 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,522 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,522 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:22,522 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:22,522 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:22,522 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,523 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:22,523 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,523 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,523 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,525 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,525 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,525 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:22,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:22,525 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:22,541 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,542 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,542 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:22,542 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,542 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,542 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,544 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,544 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:22,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:22,544 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:22,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,561 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,561 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:22,561 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,562 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,562 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,564 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,564 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,564 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:22,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:22,564 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:22,581 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,581 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,581 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:22,581 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,581 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,581 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,583 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,583 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,584 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:22,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:22,584 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:22,602 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,602 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,602 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:22,602 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,602 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,602 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,604 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,604 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:22,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:22,604 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:22,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,621 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,621 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:22,621 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,621 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,621 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,623 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,623 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,623 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:22,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:22,624 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:22,640 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,640 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,640 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:22,640 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:22,641 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:22,641 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,641 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:22,641 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,641 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,641 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,643 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,643 - INFO - moving on ...
+2024-12-09 10:29:22,643 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:22,643 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,643 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,643 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,645 - INFO - number of orbitals:  70
+2024-12-09 10:29:22,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,645 - INFO - moving on ...
+2024-12-09 10:29:22,645 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:22,645 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,645 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,645 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,647 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,648 - INFO - moving on ...
+2024-12-09 10:29:22,648 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:22,648 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:22,648 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:22,648 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,648 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:22,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,649 - INFO - number of orbitals:  76
+2024-12-09 10:29:22,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,649 - INFO - moving on ...
+2024-12-09 10:29:22,649 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:22,650 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:22,650 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:22,650 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,650 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:22,650 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,650 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,650 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,652 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,652 - INFO - moving on ...
+2024-12-09 10:29:22,652 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:22,652 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,652 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,652 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,654 - INFO - number of orbitals:  70
+2024-12-09 10:29:22,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,654 - INFO - moving on ...
+2024-12-09 10:29:22,654 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:22,654 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,654 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,654 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,656 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,656 - INFO - moving on ...
+2024-12-09 10:29:22,656 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:22,656 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,656 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,656 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,658 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,658 - INFO - moving on ...
+2024-12-09 10:29:22,658 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:22,658 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,658 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,658 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,660 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,660 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,660 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:22,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:22,660 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:22,676 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,677 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,677 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:22,677 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,677 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,677 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,679 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,679 - INFO - moving on ...
+2024-12-09 10:29:22,680 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:22,680 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,680 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,680 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,681 - INFO - number of orbitals:  55
+2024-12-09 10:29:22,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,681 - INFO - moving on ...
+2024-12-09 10:29:22,682 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:22,682 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,682 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,682 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,683 - INFO - number of orbitals:  69
+2024-12-09 10:29:22,683 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,683 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,684 - INFO - moving on ...
+2024-12-09 10:29:22,684 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:22,684 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,684 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,684 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,685 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,685 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,685 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:22,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:22,686 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:22,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,702 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,702 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:22,702 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,704 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,704 - INFO - moving on ...
+2024-12-09 10:29:22,705 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:22,705 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,705 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,705 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,706 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,706 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,706 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:22,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:22,707 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:22,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,723 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,723 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:22,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,725 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,725 - INFO - moving on ...
+2024-12-09 10:29:22,725 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:22,725 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,725 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,725 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,727 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,727 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,727 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:22,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:22,727 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:22,743 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,743 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,743 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:22,743 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,743 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,743 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,745 - INFO - number of orbitals:  45
+2024-12-09 10:29:22,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,745 - INFO - moving on ...
+2024-12-09 10:29:22,745 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:22,745 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,745 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,745 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,747 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,747 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,747 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:22,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:22,747 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:22,763 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,764 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,764 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:22,764 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,764 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,764 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,766 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,766 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,766 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:22,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:22,766 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:22,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,783 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,783 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:22,783 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:22,783 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:22,784 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,784 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:22,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,785 - INFO - number of orbitals:  42
+2024-12-09 10:29:22,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,785 - INFO - moving on ...
+2024-12-09 10:29:22,785 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:22,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,786 - INFO - number of orbitals:  90
+2024-12-09 10:29:22,787 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
+2024-12-09 10:29:22,787 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,787 - INFO - moving on ...
+2024-12-09 10:29:22,787 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:22,787 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:22,787 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:22,787 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,787 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:22,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,788 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,788 - INFO - number of supporting files: 2
+2024-12-09 10:29:22,788 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:22,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:22,788 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:22,806 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,807 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,807 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:22,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:22,807 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:22,807 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:22,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,809 - INFO - number of orbitals:  118
+2024-12-09 10:29:22,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,809 - INFO - moving on ...
+2024-12-09 10:29:22,809 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:22,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,810 - INFO - number of orbitals:  68
+2024-12-09 10:29:22,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,810 - INFO - moving on ...
+2024-12-09 10:29:22,810 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:22,810 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:22,810 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:22,811 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,811 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:22,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,812 - INFO - number of orbitals:  54
+2024-12-09 10:29:22,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,812 - INFO - moving on ...
+2024-12-09 10:29:22,812 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:22,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,813 - INFO - number of orbitals:  88
+2024-12-09 10:29:22,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,813 - INFO - moving on ...
+2024-12-09 10:29:22,813 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:22,813 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:22,814 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:22,814 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,814 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:22,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,815 - INFO - number of orbitals:  66
+2024-12-09 10:29:22,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:22,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:22,815 - INFO - moving on ...
+2024-12-09 10:29:22,815 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:22,815 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:22,815 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:22,816 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:22,816 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:22,816 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,816 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,816 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,817 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,817 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,818 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:22,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:22,818 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:22,834 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,834 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,834 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:22,834 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,836 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,836 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:22,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:22,836 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:22,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,852 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,852 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:22,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,854 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,854 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,854 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:22,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:22,854 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:22,870 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,870 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,870 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:22,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,871 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,871 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,872 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,872 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:22,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:22,873 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:22,888 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,888 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,888 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:22,888 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,889 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,889 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,890 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,890 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:22,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:22,891 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:22,906 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,906 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,906 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:22,906 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,907 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,907 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,908 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,908 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,908 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:22,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:22,909 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:22,924 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,924 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,925 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:22,925 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,925 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,925 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,927 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,927 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:22,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:22,927 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:22,943 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,943 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,943 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:22,943 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,943 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,944 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,945 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,946 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:22,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:22,946 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:22,961 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,962 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,962 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:22,962 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,962 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,962 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,964 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,964 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,964 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:22,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:22,964 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:22,980 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,980 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,980 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:22,980 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,980 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,980 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:22,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:22,982 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:22,982 - INFO - number of supporting files: 1
+2024-12-09 10:29:22,982 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:22,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:22,983 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:22,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:22,999 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:22,999 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:22,999 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:22,999 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:22,999 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,001 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,001 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,001 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:23,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:23,001 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,017 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,017 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,017 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:23,018 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,018 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,018 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,020 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,020 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,020 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:23,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:23,020 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:23,036 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,036 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,036 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:23,036 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:23,036 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:23,036 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,036 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:23,037 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,037 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,037 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,038 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,039 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,039 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:23,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:23,039 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:23,055 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,055 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,055 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:23,055 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,056 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,056 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,058 - INFO - number of orbitals:  108
+2024-12-09 10:29:23,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,058 - INFO - moving on ...
+2024-12-09 10:29:23,058 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:23,058 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:23,058 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:23,058 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,058 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:23,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,060 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,060 - INFO - moving on ...
+2024-12-09 10:29:23,060 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:23,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,061 - INFO - number of orbitals:  135
+2024-12-09 10:29:23,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,061 - INFO - moving on ...
+2024-12-09 10:29:23,061 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:23,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,062 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,063 - INFO - moving on ...
+2024-12-09 10:29:23,063 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:23,063 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:23,063 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:23,063 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,063 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:23,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,064 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,064 - INFO - moving on ...
+2024-12-09 10:29:23,064 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:23,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,065 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,066 - INFO - moving on ...
+2024-12-09 10:29:23,066 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:23,066 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:23,066 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:23,066 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,066 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:23,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,067 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,067 - INFO - moving on ...
+2024-12-09 10:29:23,068 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:23,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,069 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,069 - INFO - moving on ...
+2024-12-09 10:29:23,069 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:23,070 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:23,070 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:23,070 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,070 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:23,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,071 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,072 - INFO - moving on ...
+2024-12-09 10:29:23,072 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:23,072 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:23,072 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:23,072 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,072 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:23,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,074 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,074 - INFO - moving on ...
+2024-12-09 10:29:23,074 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:23,074 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:23,074 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:23,074 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,074 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:23,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,076 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,076 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,076 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:23,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:23,077 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:23,094 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,095 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,095 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:23,095 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:23,095 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,095 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:23,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,096 - INFO - number of orbitals:  118
+2024-12-09 10:29:23,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,096 - INFO - moving on ...
+2024-12-09 10:29:23,097 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:23,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,098 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,098 - INFO - moving on ...
+2024-12-09 10:29:23,098 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:23,098 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:23,098 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:23,098 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,098 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:23,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,098 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,098 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,100 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,100 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,100 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:23,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:23,100 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,116 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,116 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,116 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:23,116 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,116 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,116 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,118 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,118 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,118 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:23,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:23,119 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:23,134 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,135 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,135 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:23,135 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,135 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,135 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,137 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,137 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,137 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:23,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:23,137 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:23,152 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,153 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,153 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:23,153 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,153 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,153 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,155 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,155 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,155 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:23,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:23,155 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,171 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,172 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,172 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:23,172 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,172 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,172 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,174 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,174 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,174 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:23,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:23,174 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:23,190 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,190 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,191 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:23,191 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,191 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,191 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,193 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,193 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,193 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:23,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:23,193 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:23,209 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,209 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,210 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:23,210 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,210 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,210 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,212 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,212 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,212 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:23,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:23,212 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:23,227 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,228 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,228 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:23,228 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,228 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,228 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,230 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,230 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,230 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:23,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:23,230 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:23,245 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,246 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,246 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:23,246 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:23,246 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:23,246 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,246 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:23,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,247 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,247 - INFO - moving on ...
+2024-12-09 10:29:23,248 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:23,248 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:23,248 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:23,248 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,248 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:23,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,249 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,249 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,249 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:23,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:23,249 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:23,264 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,265 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,265 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:23,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:23,265 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,265 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:23,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,267 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,267 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,267 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,267 - INFO - moving on ...
+2024-12-09 10:29:23,267 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:23,267 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:23,267 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:23,267 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,267 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:23,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,268 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,268 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,268 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:23,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:23,268 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:23,284 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,284 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,284 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:23,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:23,284 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,285 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:23,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,286 - INFO - number of orbitals:  119
+2024-12-09 10:29:23,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,286 - INFO - moving on ...
+2024-12-09 10:29:23,286 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:23,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,287 - INFO - number of orbitals:  62
+2024-12-09 10:29:23,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,287 - INFO - moving on ...
+2024-12-09 10:29:23,287 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:23,288 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:23,288 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:23,288 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,288 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:23,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,289 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,289 - INFO - moving on ...
+2024-12-09 10:29:23,289 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:23,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,290 - INFO - number of orbitals:  135
+2024-12-09 10:29:23,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,291 - INFO - moving on ...
+2024-12-09 10:29:23,291 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:23,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,292 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,292 - INFO - moving on ...
+2024-12-09 10:29:23,292 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:23,292 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:23,292 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:23,292 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,292 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:23,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,294 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,294 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,294 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:23,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:23,294 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:23,309 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,310 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,310 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:23,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:23,310 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,310 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:23,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,311 - INFO - number of orbitals:  118
+2024-12-09 10:29:23,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,311 - INFO - moving on ...
+2024-12-09 10:29:23,311 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:23,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,312 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,313 - INFO - moving on ...
+2024-12-09 10:29:23,313 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:23,313 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:23,313 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:23,313 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,313 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:23,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,314 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,314 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,314 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:23,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:23,314 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:23,330 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,331 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,331 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:23,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:23,331 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,331 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:23,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,332 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,332 - INFO - moving on ...
+2024-12-09 10:29:23,332 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:23,333 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:23,333 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:23,333 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,333 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:23,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,334 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,334 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,334 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:23,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:23,334 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:23,349 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,350 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,350 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:23,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:23,350 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,350 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:23,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,351 - INFO - number of orbitals:  110
+2024-12-09 10:29:23,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,351 - INFO - moving on ...
+2024-12-09 10:29:23,351 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:23,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,353 - INFO - number of orbitals:  60
+2024-12-09 10:29:23,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,353 - INFO - moving on ...
+2024-12-09 10:29:23,353 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:23,353 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:23,353 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:23,353 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,353 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:23,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,354 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,354 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,354 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:23,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:23,354 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:23,370 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,370 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,370 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:23,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:23,370 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,370 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:23,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,372 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,372 - INFO - moving on ...
+2024-12-09 10:29:23,372 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:23,372 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:23,372 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:23,372 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,372 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:23,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,373 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,373 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,374 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:23,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:23,374 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:23,389 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,389 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,389 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:23,390 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:23,390 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:23,390 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,390 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:23,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,391 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,391 - INFO - moving on ...
+2024-12-09 10:29:23,391 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:23,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,392 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,393 - INFO - moving on ...
+2024-12-09 10:29:23,393 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:23,393 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:23,393 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:23,393 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,393 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:23,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,394 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,394 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:23,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:23,394 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:23,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,410 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,411 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:23,411 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:23,411 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:23,411 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,411 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:23,411 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,411 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,411 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,413 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,413 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:23,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:23,413 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:23,429 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,430 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,430 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:23,430 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,430 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,430 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,432 - INFO - number of orbitals:  46
+2024-12-09 10:29:23,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,432 - INFO - moving on ...
+2024-12-09 10:29:23,432 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:23,432 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,432 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,432 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,434 - INFO - number of orbitals:  46
+2024-12-09 10:29:23,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,434 - INFO - moving on ...
+2024-12-09 10:29:23,434 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:23,434 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,434 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,434 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,436 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,436 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,436 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:23,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:23,436 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:23,452 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,453 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,453 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:23,453 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:23,453 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:23,453 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,453 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:23,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,454 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,454 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,454 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:23,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:23,455 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:23,470 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,470 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,470 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:23,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:23,470 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,471 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:23,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,472 - INFO - number of orbitals:  85
+2024-12-09 10:29:23,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,472 - INFO - moving on ...
+2024-12-09 10:29:23,472 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:23,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,473 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,473 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,473 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:23,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:23,473 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,488 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,489 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,489 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:23,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:23,489 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,489 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:23,489 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:23,489 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:23,489 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,489 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:23,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,491 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,491 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,491 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:23,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:23,491 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,506 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,506 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,507 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:23,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:23,507 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,507 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:23,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,508 - INFO - number of orbitals:  110
+2024-12-09 10:29:23,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,508 - INFO - moving on ...
+2024-12-09 10:29:23,508 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:23,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,509 - INFO - number of orbitals:  60
+2024-12-09 10:29:23,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,510 - INFO - moving on ...
+2024-12-09 10:29:23,510 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:23,510 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:23,510 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:23,510 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,510 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:23,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,511 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,511 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,511 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:23,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:23,511 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:23,527 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,527 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,527 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:23,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:23,528 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,528 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:23,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,529 - INFO - number of orbitals:  85
+2024-12-09 10:29:23,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,529 - INFO - moving on ...
+2024-12-09 10:29:23,529 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:23,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,531 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,531 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,531 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:23,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:23,531 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:23,547 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,548 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,548 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:23,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:23,548 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,548 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:23,548 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:23,548 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:23,548 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,548 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:23,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,550 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,550 - INFO - moving on ...
+2024-12-09 10:29:23,550 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:23,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,551 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,551 - INFO - moving on ...
+2024-12-09 10:29:23,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:23,552 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:23,552 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:23,552 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,552 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:23,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,553 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,553 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,553 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:23,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:23,553 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:23,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,569 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,569 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:23,570 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:23,570 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:23,570 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,570 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:23,570 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,570 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,570 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,572 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,572 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:23,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:23,572 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:23,588 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,588 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,588 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:23,588 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,589 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,589 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,590 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,590 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:23,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:23,590 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:23,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,608 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,608 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:23,608 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,608 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,608 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,610 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,610 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,610 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:23,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:23,610 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:23,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,627 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,627 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:23,627 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,627 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,627 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,629 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,629 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,629 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:23,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:23,629 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:23,646 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,646 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,646 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:23,646 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,646 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,646 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,648 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,648 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:23,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:23,648 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:23,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,664 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,664 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:23,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,664 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,664 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,666 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,666 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:23,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:23,667 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:23,683 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,683 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,683 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:23,683 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,683 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,686 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,686 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,686 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:23,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:23,686 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:23,704 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,705 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,705 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:23,705 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,705 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,705 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,708 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,708 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,708 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:23,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:23,708 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:23,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,728 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,728 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:23,728 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,728 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,728 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,730 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,730 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,730 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:23,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:23,730 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:23,746 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,747 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,747 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:23,747 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:23,747 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:23,747 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,747 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:23,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,748 - INFO - number of orbitals:  54
+2024-12-09 10:29:23,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,749 - INFO - moving on ...
+2024-12-09 10:29:23,749 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:23,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,750 - INFO - number of orbitals:  88
+2024-12-09 10:29:23,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,750 - INFO - moving on ...
+2024-12-09 10:29:23,750 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:23,750 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:23,750 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:23,750 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,750 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:23,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,751 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,751 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,751 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:23,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:23,751 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:23,767 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,767 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,767 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:23,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:23,767 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,767 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:23,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,769 - INFO - number of orbitals:  72
+2024-12-09 10:29:23,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,769 - INFO - moving on ...
+2024-12-09 10:29:23,769 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:23,769 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:23,769 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:23,769 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,769 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:23,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,770 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,770 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,770 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:23,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:23,771 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:23,786 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,786 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,786 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:23,787 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:23,787 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:23,787 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,787 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:23,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,788 - INFO - number of orbitals:  48
+2024-12-09 10:29:23,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,788 - INFO - moving on ...
+2024-12-09 10:29:23,788 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:23,789 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:23,789 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:23,789 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,789 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:23,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,790 - INFO - number of orbitals:  48
+2024-12-09 10:29:23,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,790 - INFO - moving on ...
+2024-12-09 10:29:23,790 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:23,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,792 - INFO - number of orbitals:  116
+2024-12-09 10:29:23,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,792 - INFO - moving on ...
+2024-12-09 10:29:23,792 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:23,792 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:23,792 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:23,792 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,792 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:23,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,793 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,793 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,793 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:23,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:23,794 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:23,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,810 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,810 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:23,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:23,811 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,811 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:23,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,812 - INFO - number of orbitals:  79
+2024-12-09 10:29:23,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,812 - INFO - moving on ...
+2024-12-09 10:29:23,812 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:23,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,813 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,813 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,813 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:23,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:23,814 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:23,830 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,830 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,830 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:23,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:23,830 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,830 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:23,831 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:23,831 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:23,831 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,831 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:23,831 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,831 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,831 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,833 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,833 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,833 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:23,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:23,833 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:23,849 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,849 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,849 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:23,849 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,849 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,850 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,851 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,851 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,851 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:23,852 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:23,852 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:23,868 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,868 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,868 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:23,868 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,868 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,868 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,870 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,870 - INFO - moving on ...
+2024-12-09 10:29:23,870 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:23,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,870 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,872 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,872 - INFO - moving on ...
+2024-12-09 10:29:23,872 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:23,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,874 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:23,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:23,874 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:23,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,891 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,891 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:23,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,891 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,891 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,893 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,893 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:23,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:23,893 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:23,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,909 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,909 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:23,909 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,910 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,910 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,911 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,912 - INFO - moving on ...
+2024-12-09 10:29:23,912 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:23,912 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,912 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,912 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,913 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,914 - INFO - moving on ...
+2024-12-09 10:29:23,914 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:23,914 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,914 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,914 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,915 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,915 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,915 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:23,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:23,915 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:23,931 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,932 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,932 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:23,932 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,932 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,932 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,934 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,934 - INFO - number of supporting files: 1
+2024-12-09 10:29:23,934 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:23,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:23,934 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:23,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,950 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,950 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:23,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,953 - INFO - number of orbitals:  68
+2024-12-09 10:29:23,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,953 - INFO - moving on ...
+2024-12-09 10:29:23,953 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:23,953 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:23,953 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:23,953 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:23,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,955 - INFO - number of orbitals:  76
+2024-12-09 10:29:23,955 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,955 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,955 - INFO - moving on ...
+2024-12-09 10:29:23,955 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:23,955 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:23,955 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:23,955 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,955 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:23,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,956 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,957 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,957 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:23,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:23,957 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:23,972 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,973 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,973 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:23,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:23,973 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,973 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:23,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,974 - INFO - number of orbitals:  55
+2024-12-09 10:29:23,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:23,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:23,974 - INFO - moving on ...
+2024-12-09 10:29:23,974 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:23,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,976 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,976 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,976 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:23,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:23,976 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:23,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:23,991 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:23,992 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:23,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:23,992 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:23,992 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:23,992 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:23,992 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:23,992 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:23,992 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:23,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:23,993 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:23,993 - INFO - number of supporting files: 2
+2024-12-09 10:29:23,993 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:23,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:23,994 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:24,009 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,009 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,010 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:24,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:24,010 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,010 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:24,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,012 - INFO - number of orbitals:  110
+2024-12-09 10:29:24,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,012 - INFO - moving on ...
+2024-12-09 10:29:24,012 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:24,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,013 - INFO - number of orbitals:  60
+2024-12-09 10:29:24,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,013 - INFO - moving on ...
+2024-12-09 10:29:24,013 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:24,014 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:24,014 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:24,014 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,014 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:24,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,015 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,015 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,015 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:24,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:24,015 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:24,031 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,031 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,031 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:24,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:24,031 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,031 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:24,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,033 - INFO - number of orbitals:  110
+2024-12-09 10:29:24,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,033 - INFO - moving on ...
+2024-12-09 10:29:24,033 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:24,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,034 - INFO - number of orbitals:  60
+2024-12-09 10:29:24,034 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,034 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,034 - INFO - moving on ...
+2024-12-09 10:29:24,034 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:24,034 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:24,035 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:24,035 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,035 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:24,035 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,035 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,035 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,036 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,037 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,037 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:24,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:24,037 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:24,052 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,053 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,053 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:24,053 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,053 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,053 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,055 - INFO - number of orbitals:  53
+2024-12-09 10:29:24,055 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,055 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,055 - INFO - moving on ...
+2024-12-09 10:29:24,055 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:24,055 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,055 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,055 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,057 - INFO - number of orbitals:  58
+2024-12-09 10:29:24,057 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,057 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,057 - INFO - moving on ...
+2024-12-09 10:29:24,057 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:24,057 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,057 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,057 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,059 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,059 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,059 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:24,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:24,059 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:24,074 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,075 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,075 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:24,075 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,075 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,075 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,077 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,077 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,077 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,077 - INFO - moving on ...
+2024-12-09 10:29:24,077 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:24,077 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,077 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,077 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,079 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,079 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,079 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,079 - INFO - moving on ...
+2024-12-09 10:29:24,079 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:24,079 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,079 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,079 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,081 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,081 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,081 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:24,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:24,081 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:24,096 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,097 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,097 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:24,097 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,097 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,097 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,099 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,099 - INFO - moving on ...
+2024-12-09 10:29:24,099 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:24,099 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,099 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,101 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,101 - INFO - moving on ...
+2024-12-09 10:29:24,101 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:24,101 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:24,101 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:24,101 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,101 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:24,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,102 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,103 - INFO - moving on ...
+2024-12-09 10:29:24,103 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:24,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,104 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,104 - INFO - moving on ...
+2024-12-09 10:29:24,104 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:24,104 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:24,104 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:24,104 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,104 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:24,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,105 - INFO - number of orbitals:  76
+2024-12-09 10:29:24,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,105 - INFO - moving on ...
+2024-12-09 10:29:24,105 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:24,106 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:24,106 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:24,106 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,106 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:24,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,107 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,107 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,107 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:24,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:24,107 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:24,122 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,122 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,122 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:24,123 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:24,123 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:24,123 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,123 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:24,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,124 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,124 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,124 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:24,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:24,124 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:24,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,140 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,140 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:24,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:24,140 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,140 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:24,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,141 - INFO - number of orbitals:  74
+2024-12-09 10:29:24,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,142 - INFO - moving on ...
+2024-12-09 10:29:24,142 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:24,142 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:24,142 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:24,142 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,142 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:24,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,143 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,143 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,143 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:24,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:24,143 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:24,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,160 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,160 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:24,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:24,160 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,160 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:24,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,162 - INFO - number of orbitals:  90
+2024-12-09 10:29:24,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,162 - INFO - moving on ...
+2024-12-09 10:29:24,162 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:24,162 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:24,162 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:24,162 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,162 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:24,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,163 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,163 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,163 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,163 - INFO - moving on ...
+2024-12-09 10:29:24,163 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:24,163 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:24,163 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:24,164 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,164 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:24,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,165 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,165 - INFO - moving on ...
+2024-12-09 10:29:24,165 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:24,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,166 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,166 - INFO - moving on ...
+2024-12-09 10:29:24,166 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:24,166 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:24,166 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:24,167 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,167 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:24,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,168 - INFO - number of orbitals:  47
+2024-12-09 10:29:24,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,168 - INFO - moving on ...
+2024-12-09 10:29:24,168 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:24,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,169 - INFO - number of orbitals:  106
+2024-12-09 10:29:24,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,169 - INFO - moving on ...
+2024-12-09 10:29:24,169 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:24,169 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:24,169 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:24,170 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,170 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:24,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,171 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,171 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,171 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:24,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:24,171 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:24,186 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,187 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,187 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:24,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:24,187 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,187 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:24,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,188 - INFO - number of orbitals:  118
+2024-12-09 10:29:24,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,189 - INFO - moving on ...
+2024-12-09 10:29:24,189 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:24,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,190 - INFO - number of orbitals:  68
+2024-12-09 10:29:24,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,190 - INFO - moving on ...
+2024-12-09 10:29:24,190 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:24,190 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:24,190 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:24,190 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,190 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:24,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,192 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,192 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,192 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:24,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:24,192 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:24,210 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,211 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,211 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:24,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:24,211 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,211 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:24,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,214 - INFO - number of orbitals:  114
+2024-12-09 10:29:24,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,214 - INFO - moving on ...
+2024-12-09 10:29:24,214 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:24,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,216 - INFO - number of orbitals:  64
+2024-12-09 10:29:24,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,216 - INFO - moving on ...
+2024-12-09 10:29:24,216 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:24,216 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:24,216 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:24,216 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,216 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:24,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,218 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,218 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:24,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:24,218 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:24,237 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,237 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,237 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:24,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:24,237 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,237 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:24,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,239 - INFO - number of orbitals:  115
+2024-12-09 10:29:24,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,239 - INFO - moving on ...
+2024-12-09 10:29:24,239 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:24,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,241 - INFO - number of orbitals:  58
+2024-12-09 10:29:24,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,241 - INFO - moving on ...
+2024-12-09 10:29:24,241 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:24,241 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:24,241 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:24,241 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,241 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:24,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,242 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,242 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:24,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:24,242 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:24,259 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,259 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,259 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:24,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:24,260 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,260 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:24,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,261 - INFO - number of orbitals:  78
+2024-12-09 10:29:24,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,261 - INFO - moving on ...
+2024-12-09 10:29:24,261 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:24,261 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:24,261 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:24,261 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,261 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:24,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,263 - INFO - number of orbitals:  58
+2024-12-09 10:29:24,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,263 - INFO - moving on ...
+2024-12-09 10:29:24,263 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:24,263 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:24,263 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:24,263 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,263 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:24,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,264 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,264 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,264 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:24,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:24,265 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:24,281 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,281 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,281 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:24,281 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:24,281 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:24,281 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,282 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:24,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,283 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,283 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,283 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:24,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:24,283 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:24,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,300 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,300 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:24,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:24,300 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,300 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:24,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,301 - INFO - number of orbitals:  86
+2024-12-09 10:29:24,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,301 - INFO - moving on ...
+2024-12-09 10:29:24,301 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:24,302 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:24,302 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:24,302 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,302 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:24,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,303 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,303 - INFO - moving on ...
+2024-12-09 10:29:24,303 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:24,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,304 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,304 - INFO - moving on ...
+2024-12-09 10:29:24,304 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:24,305 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:24,305 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:24,305 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,305 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:24,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,306 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,306 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,306 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:24,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:24,306 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:24,321 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,322 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,322 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:24,322 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:24,322 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:24,322 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,322 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:24,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,323 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,323 - INFO - moving on ...
+2024-12-09 10:29:24,324 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:24,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,325 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,325 - INFO - moving on ...
+2024-12-09 10:29:24,325 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:24,325 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:24,325 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:24,325 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,325 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:24,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,326 - INFO - number of orbitals:  76
+2024-12-09 10:29:24,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,327 - INFO - moving on ...
+2024-12-09 10:29:24,327 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:24,327 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:24,327 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:24,327 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,327 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:24,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,328 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,328 - INFO - moving on ...
+2024-12-09 10:29:24,328 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:24,328 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:24,328 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:24,328 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,328 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:24,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,330 - INFO - number of orbitals:  48
+2024-12-09 10:29:24,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,330 - INFO - moving on ...
+2024-12-09 10:29:24,330 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:24,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,331 - INFO - number of orbitals:  116
+2024-12-09 10:29:24,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,331 - INFO - moving on ...
+2024-12-09 10:29:24,331 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:24,331 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:24,331 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:24,331 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,331 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:24,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,333 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,333 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,333 - INFO - moving on ...
+2024-12-09 10:29:24,333 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:24,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,334 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,334 - INFO - moving on ...
+2024-12-09 10:29:24,334 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:24,334 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:24,334 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:24,334 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,334 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:24,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,336 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,336 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:24,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:24,336 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:24,352 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,352 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,352 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:24,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:24,352 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,352 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:24,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,354 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,354 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,354 - INFO - moving on ...
+2024-12-09 10:29:24,354 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:24,355 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:24,355 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:24,355 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,355 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:24,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,357 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,357 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:24,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:24,357 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:24,375 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,375 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,375 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:24,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:24,375 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,375 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:24,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,377 - INFO - number of orbitals:  110
+2024-12-09 10:29:24,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,377 - INFO - moving on ...
+2024-12-09 10:29:24,377 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:24,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,378 - INFO - number of orbitals:  60
+2024-12-09 10:29:24,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,378 - INFO - moving on ...
+2024-12-09 10:29:24,378 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:24,378 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:24,378 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:24,378 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,378 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:24,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,380 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,380 - INFO - moving on ...
+2024-12-09 10:29:24,380 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:24,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,381 - INFO - number of orbitals:  135
+2024-12-09 10:29:24,381 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,381 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,381 - INFO - moving on ...
+2024-12-09 10:29:24,381 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:24,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,382 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,383 - INFO - moving on ...
+2024-12-09 10:29:24,383 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:24,383 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:24,383 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:24,383 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,383 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:24,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,384 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,384 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,384 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:24,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:24,384 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:24,400 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,401 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,401 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:24,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:24,401 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,401 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:24,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,403 - INFO - number of orbitals:  119
+2024-12-09 10:29:24,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,403 - INFO - moving on ...
+2024-12-09 10:29:24,403 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:24,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,404 - INFO - number of orbitals:  62
+2024-12-09 10:29:24,404 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,404 - INFO - moving on ...
+2024-12-09 10:29:24,404 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:24,404 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:24,404 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:24,404 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,404 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:24,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,406 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,406 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,406 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:24,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:24,406 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:24,422 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,423 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,423 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:24,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:24,423 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,423 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:24,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,424 - INFO - number of orbitals:  64
+2024-12-09 10:29:24,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,425 - INFO - moving on ...
+2024-12-09 10:29:24,425 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:24,425 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:24,425 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:24,425 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,425 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:24,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,426 - INFO - number of orbitals:  52
+2024-12-09 10:29:24,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,426 - INFO - moving on ...
+2024-12-09 10:29:24,426 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:24,427 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:24,427 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:24,427 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,427 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:24,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,428 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,428 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:24,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:24,428 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:24,445 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,446 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,446 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:24,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:24,446 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,446 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:24,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,447 - INFO - number of orbitals:  89
+2024-12-09 10:29:24,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,448 - INFO - moving on ...
+2024-12-09 10:29:24,448 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:24,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,449 - INFO - number of orbitals:  48
+2024-12-09 10:29:24,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,449 - INFO - moving on ...
+2024-12-09 10:29:24,449 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:24,449 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:24,449 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:24,449 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,449 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:24,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,451 - INFO - number of orbitals:  46
+2024-12-09 10:29:24,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,451 - INFO - moving on ...
+2024-12-09 10:29:24,451 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:24,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,452 - INFO - number of orbitals:  94
+2024-12-09 10:29:24,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,452 - INFO - moving on ...
+2024-12-09 10:29:24,452 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:24,452 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:24,452 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:24,452 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,452 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:24,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,454 - INFO - number of orbitals:  70
+2024-12-09 10:29:24,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,454 - INFO - moving on ...
+2024-12-09 10:29:24,454 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:24,454 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:24,454 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:24,454 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,454 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:24,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,455 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,455 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,455 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:24,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:24,455 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:24,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,472 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,472 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:24,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:24,472 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,473 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:24,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,474 - INFO - number of orbitals:  79
+2024-12-09 10:29:24,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,474 - INFO - moving on ...
+2024-12-09 10:29:24,474 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:24,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,476 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,476 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,476 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:24,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:24,476 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:24,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,492 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,492 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:24,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:24,492 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,492 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:24,492 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:24,492 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:24,492 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,492 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:24,492 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,493 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,493 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,494 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,494 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,494 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:24,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:24,495 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:24,509 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,510 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,510 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:24,510 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,510 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,510 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,512 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,512 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,512 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:24,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:24,512 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:24,528 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,528 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,528 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:24,528 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,528 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,528 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,530 - INFO - number of orbitals:  90
+2024-12-09 10:29:24,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,530 - INFO - moving on ...
+2024-12-09 10:29:24,530 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:24,530 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,530 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,531 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,532 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,532 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,532 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:24,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:24,532 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:24,548 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,549 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,549 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:24,549 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,549 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,549 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,551 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,551 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,551 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:24,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:24,551 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:24,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,567 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,567 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:24,567 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,567 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,567 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,569 - INFO - number of orbitals:  90
+2024-12-09 10:29:24,569 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,569 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,569 - INFO - moving on ...
+2024-12-09 10:29:24,569 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:24,569 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:24,569 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:24,570 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,570 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:24,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,571 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,571 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,571 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:24,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:24,571 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:24,587 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,587 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,587 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:24,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:24,587 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,587 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:24,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,589 - INFO - number of orbitals:  115
+2024-12-09 10:29:24,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,589 - INFO - moving on ...
+2024-12-09 10:29:24,589 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:24,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,590 - INFO - number of orbitals:  58
+2024-12-09 10:29:24,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,590 - INFO - moving on ...
+2024-12-09 10:29:24,591 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:24,591 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:24,591 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:24,591 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,591 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:24,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,592 - INFO - number of orbitals:  76
+2024-12-09 10:29:24,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,592 - INFO - moving on ...
+2024-12-09 10:29:24,592 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:24,592 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:24,592 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:24,592 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,592 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:24,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,593 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,594 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,594 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:24,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:24,594 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:24,609 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,610 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,610 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:24,610 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:24,610 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:24,610 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,610 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:24,610 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,610 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,610 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,612 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:24,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:24,612 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:24,627 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,628 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,628 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:24,628 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,628 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,628 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,630 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,630 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,630 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:24,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:24,630 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:24,645 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,646 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,646 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:24,646 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,646 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,646 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,648 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,648 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:24,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:24,648 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:24,663 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,664 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,664 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:24,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,664 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,664 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,666 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,666 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:24,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:24,666 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:24,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,682 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,682 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:24,682 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,683 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,685 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,685 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,685 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:24,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:24,685 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:24,701 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,701 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,702 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:24,702 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,704 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,704 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,704 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:24,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:24,704 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:24,720 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,720 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,720 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:24,721 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:24,721 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:24,721 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,721 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:24,721 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,721 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,721 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,723 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,723 - INFO - moving on ...
+2024-12-09 10:29:24,723 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:24,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,725 - INFO - number of orbitals:  70
+2024-12-09 10:29:24,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,725 - INFO - moving on ...
+2024-12-09 10:29:24,725 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:24,725 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,725 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,725 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,727 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,727 - INFO - moving on ...
+2024-12-09 10:29:24,727 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:24,727 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:24,727 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:24,727 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,727 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:24,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,728 - INFO - number of orbitals:  76
+2024-12-09 10:29:24,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,729 - INFO - moving on ...
+2024-12-09 10:29:24,729 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:24,729 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:24,729 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:24,729 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,729 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:24,729 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,729 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,729 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,731 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,731 - INFO - moving on ...
+2024-12-09 10:29:24,731 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:24,731 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,731 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,731 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,733 - INFO - number of orbitals:  70
+2024-12-09 10:29:24,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,733 - INFO - moving on ...
+2024-12-09 10:29:24,733 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:24,733 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,733 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,733 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,735 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,735 - INFO - moving on ...
+2024-12-09 10:29:24,735 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:24,735 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,735 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,737 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,737 - INFO - moving on ...
+2024-12-09 10:29:24,737 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:24,737 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,737 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,737 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,739 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,739 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,739 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:24,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:24,739 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:24,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,754 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,754 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:24,755 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,757 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,757 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:24,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:24,757 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:24,773 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,773 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,774 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:24,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,774 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,774 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,776 - INFO - number of orbitals:  55
+2024-12-09 10:29:24,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,776 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,776 - INFO - moving on ...
+2024-12-09 10:29:24,776 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:24,776 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,776 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,776 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,778 - INFO - number of orbitals:  69
+2024-12-09 10:29:24,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,778 - INFO - moving on ...
+2024-12-09 10:29:24,778 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:24,778 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,778 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,778 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,780 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,780 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,780 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:24,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:24,780 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:24,797 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,798 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,798 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:24,798 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,798 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,798 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,800 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,800 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,800 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:24,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:24,800 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:24,816 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,817 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,817 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:24,817 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,817 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,817 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,819 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,819 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,819 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:24,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:24,819 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:24,834 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,835 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,835 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:24,835 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,835 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,835 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,837 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,837 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,837 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:24,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:24,837 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:24,853 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,853 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,853 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:24,853 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,855 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,855 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:24,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:24,855 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:24,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,873 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,873 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:24,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,875 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,875 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:24,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:24,875 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:24,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,892 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,892 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:24,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,894 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,894 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:24,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:24,894 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:24,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,911 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,911 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:24,911 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,911 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,911 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,913 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,913 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:24,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:24,913 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:24,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,930 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,930 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:24,930 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:24,930 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:24,930 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,930 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:24,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,932 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,932 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:24,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:24,932 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:24,948 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,949 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,949 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:24,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:24,949 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,949 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:24,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,950 - INFO - number of orbitals:  90
+2024-12-09 10:29:24,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
+2024-12-09 10:29:24,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,950 - INFO - moving on ...
+2024-12-09 10:29:24,950 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:24,951 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:24,951 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:24,951 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,951 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:24,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,952 - INFO - number of supporting files: 2
+2024-12-09 10:29:24,952 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:24,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:24,952 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:24,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,968 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,968 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:24,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:24,968 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:24,968 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:24,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,970 - INFO - number of orbitals:  118
+2024-12-09 10:29:24,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,970 - INFO - moving on ...
+2024-12-09 10:29:24,970 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:24,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,971 - INFO - number of orbitals:  68
+2024-12-09 10:29:24,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,971 - INFO - moving on ...
+2024-12-09 10:29:24,971 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:24,972 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:24,972 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:24,972 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,972 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:24,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,973 - INFO - number of orbitals:  54
+2024-12-09 10:29:24,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,973 - INFO - moving on ...
+2024-12-09 10:29:24,973 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:24,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,974 - INFO - number of orbitals:  88
+2024-12-09 10:29:24,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,974 - INFO - moving on ...
+2024-12-09 10:29:24,974 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:24,974 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:24,974 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:24,974 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,975 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:24,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,976 - INFO - number of orbitals:  66
+2024-12-09 10:29:24,976 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:24,976 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:24,976 - INFO - moving on ...
+2024-12-09 10:29:24,976 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:24,976 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:24,976 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:24,976 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:24,976 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:24,976 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,976 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,976 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,978 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,978 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,978 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:24,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:24,978 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:24,994 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:24,994 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:24,994 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:24,994 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:24,994 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:24,994 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:24,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:24,996 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:24,996 - INFO - number of supporting files: 1
+2024-12-09 10:29:24,996 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:24,996 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:24,996 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:25,013 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,014 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,014 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:25,014 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,014 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,014 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,016 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,016 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,016 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:25,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:25,016 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,032 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,033 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,033 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:25,033 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,033 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,033 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,035 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,035 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,035 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:25,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:25,035 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,051 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,051 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,051 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:25,051 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,052 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,052 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,054 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,054 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:25,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:25,054 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:25,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,070 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,070 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:25,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,072 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,072 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:25,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:25,072 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:25,087 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,088 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,088 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:25,088 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,088 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,088 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,090 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,090 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:25,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:25,090 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:25,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,107 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,107 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:25,107 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,107 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,107 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,109 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,109 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,109 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:25,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:25,109 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:25,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,126 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,127 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:25,127 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,127 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,129 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,129 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:25,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:25,129 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:25,146 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,146 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,146 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:25,146 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,146 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,146 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,149 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,149 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:25,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:25,149 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:25,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,165 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,165 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:25,166 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,166 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,166 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,167 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,168 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,168 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:25,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:25,168 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,184 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,185 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:25,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,187 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,187 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,187 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:25,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:25,187 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:25,203 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,203 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,203 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:25,204 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:25,204 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:25,204 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,204 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:25,204 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,204 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,204 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,206 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,206 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,206 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:25,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:25,206 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:25,222 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,223 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,223 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:25,223 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,223 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,223 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,225 - INFO - number of orbitals:  108
+2024-12-09 10:29:25,225 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,225 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,225 - INFO - moving on ...
+2024-12-09 10:29:25,225 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:25,225 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:25,225 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:25,225 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,225 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:25,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,227 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,227 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,227 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,227 - INFO - moving on ...
+2024-12-09 10:29:25,227 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:25,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,228 - INFO - number of orbitals:  135
+2024-12-09 10:29:25,228 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,228 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,228 - INFO - moving on ...
+2024-12-09 10:29:25,228 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:25,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,229 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,229 - INFO - moving on ...
+2024-12-09 10:29:25,229 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:25,230 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:25,230 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:25,230 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,230 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:25,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,231 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,231 - INFO - moving on ...
+2024-12-09 10:29:25,231 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:25,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,232 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,232 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,232 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,232 - INFO - moving on ...
+2024-12-09 10:29:25,232 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:25,232 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:25,233 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:25,233 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,233 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:25,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,234 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,234 - INFO - moving on ...
+2024-12-09 10:29:25,234 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:25,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,235 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,235 - INFO - moving on ...
+2024-12-09 10:29:25,235 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:25,236 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:25,236 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:25,236 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,236 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:25,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,237 - INFO - number of orbitals:  76
+2024-12-09 10:29:25,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,237 - INFO - moving on ...
+2024-12-09 10:29:25,237 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:25,237 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:25,237 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:25,237 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,237 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:25,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,239 - INFO - number of orbitals:  76
+2024-12-09 10:29:25,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,239 - INFO - moving on ...
+2024-12-09 10:29:25,239 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:25,239 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:25,239 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:25,239 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,239 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:25,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,240 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,240 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:25,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:25,241 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:25,256 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,257 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,257 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:25,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:25,257 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,257 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:25,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,259 - INFO - number of orbitals:  118
+2024-12-09 10:29:25,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,259 - INFO - moving on ...
+2024-12-09 10:29:25,259 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:25,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,260 - INFO - number of orbitals:  68
+2024-12-09 10:29:25,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,260 - INFO - moving on ...
+2024-12-09 10:29:25,260 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:25,261 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:25,261 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:25,261 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,261 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:25,261 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,261 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,261 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,262 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,263 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,263 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:25,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:25,263 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,278 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,279 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,279 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:25,279 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,279 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,279 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,281 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,281 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,281 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:25,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:25,281 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:25,297 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,298 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,298 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:25,298 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,298 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,298 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,300 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,300 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,300 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:25,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:25,300 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:25,317 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,317 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,317 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:25,317 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,317 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,317 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,319 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,319 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,319 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:25,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:25,319 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,335 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,336 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,336 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:25,336 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,336 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,336 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,338 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,338 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,338 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:25,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:25,338 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:25,355 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,356 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,356 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:25,356 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,356 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,356 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,358 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,358 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,358 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:25,358 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:25,358 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:25,374 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,375 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,375 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:25,375 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,375 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,375 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,377 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,377 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,377 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:25,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:25,377 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:25,393 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,393 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,393 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:25,393 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,394 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,394 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,395 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,395 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,395 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:25,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:25,396 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:25,411 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,411 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,411 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:25,411 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:25,411 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:25,411 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,411 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:25,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,413 - INFO - number of orbitals:  76
+2024-12-09 10:29:25,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,413 - INFO - moving on ...
+2024-12-09 10:29:25,413 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:25,413 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:25,413 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:25,413 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,413 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:25,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,415 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,415 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,415 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:25,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:25,415 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:25,432 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,432 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,432 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:25,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:25,433 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,433 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:25,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,434 - INFO - number of orbitals:  76
+2024-12-09 10:29:25,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,434 - INFO - moving on ...
+2024-12-09 10:29:25,434 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:25,434 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:25,435 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:25,435 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,435 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:25,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,436 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,436 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,436 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:25,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:25,436 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:25,452 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,453 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,453 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:25,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:25,453 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,453 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:25,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,455 - INFO - number of orbitals:  119
+2024-12-09 10:29:25,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,455 - INFO - moving on ...
+2024-12-09 10:29:25,455 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:25,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,456 - INFO - number of orbitals:  62
+2024-12-09 10:29:25,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,456 - INFO - moving on ...
+2024-12-09 10:29:25,456 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:25,456 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:25,456 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:25,456 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,456 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:25,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,457 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,458 - INFO - moving on ...
+2024-12-09 10:29:25,458 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:25,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,459 - INFO - number of orbitals:  135
+2024-12-09 10:29:25,459 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,459 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,459 - INFO - moving on ...
+2024-12-09 10:29:25,459 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:25,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,460 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,460 - INFO - moving on ...
+2024-12-09 10:29:25,460 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:25,460 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:25,460 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:25,460 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,460 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:25,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,462 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,462 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,462 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:25,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:25,462 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:25,477 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,477 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,477 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:25,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:25,477 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,477 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:25,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,479 - INFO - number of orbitals:  118
+2024-12-09 10:29:25,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,479 - INFO - moving on ...
+2024-12-09 10:29:25,479 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:25,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,480 - INFO - number of orbitals:  68
+2024-12-09 10:29:25,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,480 - INFO - moving on ...
+2024-12-09 10:29:25,480 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:25,480 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:25,480 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:25,480 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,480 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:25,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,481 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,482 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,482 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:25,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:25,482 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:25,497 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,497 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,497 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:25,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:25,497 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,497 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:25,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,499 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,499 - INFO - moving on ...
+2024-12-09 10:29:25,499 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:25,499 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:25,499 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:25,499 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,499 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:25,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,500 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,500 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,500 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:25,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:25,500 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:25,516 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,516 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,516 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:25,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:25,516 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,516 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:25,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,517 - INFO - number of orbitals:  110
+2024-12-09 10:29:25,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,518 - INFO - moving on ...
+2024-12-09 10:29:25,518 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:25,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,519 - INFO - number of orbitals:  60
+2024-12-09 10:29:25,519 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,519 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,519 - INFO - moving on ...
+2024-12-09 10:29:25,519 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:25,519 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:25,519 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:25,519 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,519 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:25,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,520 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,521 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,521 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:25,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:25,521 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:25,537 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,537 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,537 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:25,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:25,537 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,537 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:25,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,539 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,539 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,539 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,539 - INFO - moving on ...
+2024-12-09 10:29:25,539 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:25,539 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:25,539 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:25,539 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,539 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:25,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,540 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,541 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,541 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:25,541 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:25,541 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:25,556 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,557 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,557 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:25,557 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:25,557 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:25,557 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,557 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:25,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,559 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,559 - INFO - moving on ...
+2024-12-09 10:29:25,559 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:25,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,560 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,560 - INFO - moving on ...
+2024-12-09 10:29:25,560 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:25,560 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:25,560 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:25,560 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,560 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:25,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,562 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,562 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:25,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:25,562 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:25,578 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,578 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,578 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:25,579 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:25,579 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:25,579 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,579 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:25,579 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,579 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,579 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,581 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,581 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,581 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:25,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:25,581 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:25,597 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,598 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,598 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:25,598 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,598 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,598 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,600 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,600 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,600 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:25,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:25,600 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:25,616 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,617 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,617 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:25,617 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,617 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,617 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,619 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,619 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,619 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:25,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:25,619 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:25,634 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,635 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,635 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:25,635 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,635 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,635 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,637 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,637 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,637 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:25,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:25,637 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:25,653 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,653 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,653 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:25,653 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:25,654 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:25,654 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,654 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:25,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,655 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,655 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,655 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:25,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:25,655 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:25,670 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,670 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,670 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:25,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:25,671 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,671 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:25,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,672 - INFO - number of orbitals:  85
+2024-12-09 10:29:25,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,672 - INFO - moving on ...
+2024-12-09 10:29:25,672 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:25,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,673 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,673 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,673 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:25,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:25,673 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,689 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,689 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,689 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:25,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:25,689 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,689 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:25,690 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:25,690 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:25,690 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,690 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:25,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,691 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,691 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,691 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:25,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:25,691 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:25,707 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,707 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,707 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:25,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:25,708 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,708 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:25,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,709 - INFO - number of orbitals:  110
+2024-12-09 10:29:25,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,709 - INFO - moving on ...
+2024-12-09 10:29:25,709 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:25,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,710 - INFO - number of orbitals:  60
+2024-12-09 10:29:25,710 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,710 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,710 - INFO - moving on ...
+2024-12-09 10:29:25,710 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:25,711 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:25,711 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:25,711 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,711 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:25,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,712 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,712 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,712 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:25,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:25,712 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:25,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,728 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,728 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:25,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:25,728 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,728 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:25,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,730 - INFO - number of orbitals:  85
+2024-12-09 10:29:25,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,730 - INFO - moving on ...
+2024-12-09 10:29:25,730 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:25,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,731 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,731 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,731 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:25,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:25,731 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:25,747 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,748 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,748 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:25,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:25,748 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,748 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:25,748 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:25,748 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:25,748 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,748 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:25,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,750 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,750 - INFO - moving on ...
+2024-12-09 10:29:25,750 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:25,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,751 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,751 - INFO - moving on ...
+2024-12-09 10:29:25,751 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:25,751 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:25,751 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:25,751 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,751 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:25,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,753 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,753 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:25,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:25,753 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:25,768 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,769 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,769 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:25,769 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:25,769 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:25,769 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,769 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:25,769 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,769 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,769 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,771 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,771 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,771 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:25,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:25,771 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:25,787 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,788 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,788 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:25,788 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,788 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,788 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,790 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,790 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,790 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:25,790 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:25,790 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:25,806 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,807 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,807 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:25,807 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,807 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,807 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,809 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,809 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,809 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:25,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:25,809 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:25,825 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,825 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,825 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:25,825 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,827 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,828 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,828 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:25,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:25,828 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:25,843 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,844 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,844 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:25,844 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,844 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,844 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,846 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,846 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,846 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:25,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:25,846 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:25,862 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,863 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,863 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:25,863 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,863 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,863 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,865 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,865 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,865 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:25,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:25,865 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:25,881 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,882 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,882 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:25,882 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,882 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,882 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,884 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,884 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,884 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:25,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:25,884 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:25,900 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,900 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,901 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:25,901 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,901 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,901 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,903 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,903 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,903 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:25,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:25,903 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:25,919 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,919 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,919 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:25,919 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:25,919 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:25,919 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:25,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,921 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,921 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,921 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:25,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:25,921 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:25,937 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,937 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,937 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:25,938 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:25,938 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:25,938 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,938 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:25,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,939 - INFO - number of orbitals:  54
+2024-12-09 10:29:25,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,939 - INFO - moving on ...
+2024-12-09 10:29:25,939 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:25,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,941 - INFO - number of orbitals:  88
+2024-12-09 10:29:25,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,941 - INFO - moving on ...
+2024-12-09 10:29:25,941 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:25,941 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:25,942 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:25,942 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,942 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:25,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,943 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,943 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,943 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:25,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:25,943 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:25,960 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,960 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,960 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:25,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:25,960 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,960 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:25,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,962 - INFO - number of orbitals:  72
+2024-12-09 10:29:25,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:25,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:25,962 - INFO - moving on ...
+2024-12-09 10:29:25,962 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:25,962 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:25,962 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:25,962 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,962 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:25,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,964 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,964 - INFO - number of supporting files: 1
+2024-12-09 10:29:25,964 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:25,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:25,964 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:25,980 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,981 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,981 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:25,981 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:25,981 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:25,981 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:25,981 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:25,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:25,982 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:25,982 - INFO - number of supporting files: 2
+2024-12-09 10:29:25,983 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:25,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:25,983 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:25,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:25,999 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:25,999 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:25,999 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:25,999 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:25,999 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:25,999 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:25,999 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:25,999 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,000 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:26,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,001 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,001 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,001 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:26,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:26,001 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:26,017 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,018 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,018 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:26,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:26,018 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,018 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:26,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,019 - INFO - number of orbitals:  116
+2024-12-09 10:29:26,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,019 - INFO - moving on ...
+2024-12-09 10:29:26,019 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:26,020 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:26,020 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:26,020 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,020 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:26,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,021 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,021 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,021 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:26,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:26,021 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,037 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,037 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,037 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:26,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:26,037 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,037 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:26,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,039 - INFO - number of orbitals:  79
+2024-12-09 10:29:26,039 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,039 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,039 - INFO - moving on ...
+2024-12-09 10:29:26,039 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:26,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,040 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,040 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,040 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:26,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:26,040 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:26,056 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,057 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,057 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:26,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:26,057 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,057 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:26,057 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:26,057 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:26,057 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,057 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:26,057 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,057 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,058 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,059 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,060 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:26,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:26,060 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:26,076 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,076 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,076 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:26,076 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,076 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,076 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,078 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,078 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,078 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:26,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:26,078 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:26,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,095 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,095 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:26,095 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,095 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,095 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,097 - INFO - number of orbitals:  68
+2024-12-09 10:29:26,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,098 - INFO - moving on ...
+2024-12-09 10:29:26,098 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:26,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,098 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,098 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,100 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,100 - INFO - moving on ...
+2024-12-09 10:29:26,100 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:26,100 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,100 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,100 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,102 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,102 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,102 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:26,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:26,102 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:26,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,118 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,118 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:26,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,120 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,120 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,120 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:26,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:26,120 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:26,136 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,136 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,136 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:26,136 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,136 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,136 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,138 - INFO - number of orbitals:  68
+2024-12-09 10:29:26,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,139 - INFO - moving on ...
+2024-12-09 10:29:26,139 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:26,139 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,139 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,139 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,140 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,140 - INFO - moving on ...
+2024-12-09 10:29:26,141 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:26,141 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,141 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,141 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,142 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,142 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,142 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:26,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:26,142 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:26,158 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,159 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,159 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:26,159 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,159 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,159 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,161 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,161 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:26,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:26,161 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,177 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,178 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:26,178 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,178 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,178 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,180 - INFO - number of orbitals:  68
+2024-12-09 10:29:26,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,180 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,180 - INFO - moving on ...
+2024-12-09 10:29:26,180 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:26,180 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,180 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,180 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,182 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,182 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,182 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,182 - INFO - moving on ...
+2024-12-09 10:29:26,182 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:26,182 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:26,182 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:26,182 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,182 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:26,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,184 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,184 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,184 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:26,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:26,184 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:26,200 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,200 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,200 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:26,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:26,201 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,201 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:26,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,202 - INFO - number of orbitals:  55
+2024-12-09 10:29:26,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,202 - INFO - moving on ...
+2024-12-09 10:29:26,202 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:26,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,204 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,204 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:26,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:26,204 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:26,222 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,222 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,223 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:26,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:26,223 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,223 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:26,223 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:26,223 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:26,223 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,223 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:26,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,225 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,225 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,225 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:26,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:26,225 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:26,242 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,243 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,243 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:26,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:26,243 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,243 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:26,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,245 - INFO - number of orbitals:  110
+2024-12-09 10:29:26,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,245 - INFO - moving on ...
+2024-12-09 10:29:26,245 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:26,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,246 - INFO - number of orbitals:  60
+2024-12-09 10:29:26,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,246 - INFO - moving on ...
+2024-12-09 10:29:26,246 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:26,246 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:26,246 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:26,246 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,246 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:26,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,248 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,248 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,248 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:26,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:26,248 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:26,266 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,266 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,266 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:26,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:26,267 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,267 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:26,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,268 - INFO - number of orbitals:  110
+2024-12-09 10:29:26,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,268 - INFO - moving on ...
+2024-12-09 10:29:26,268 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:26,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,270 - INFO - number of orbitals:  60
+2024-12-09 10:29:26,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,270 - INFO - moving on ...
+2024-12-09 10:29:26,270 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:26,270 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:26,270 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:26,270 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,270 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:26,270 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,270 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,271 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,272 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,272 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:26,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:26,273 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:26,289 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,290 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,290 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:26,290 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,290 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,290 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,292 - INFO - number of orbitals:  53
+2024-12-09 10:29:26,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,292 - INFO - moving on ...
+2024-12-09 10:29:26,292 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:26,292 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,292 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,292 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,294 - INFO - number of orbitals:  58
+2024-12-09 10:29:26,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,294 - INFO - moving on ...
+2024-12-09 10:29:26,294 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:26,294 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,294 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,294 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,296 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,296 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:26,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:26,296 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:26,312 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,312 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,312 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:26,312 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,313 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,313 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,315 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,315 - INFO - moving on ...
+2024-12-09 10:29:26,315 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:26,315 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,315 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,315 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,317 - INFO - number of orbitals:  55
+2024-12-09 10:29:26,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,317 - INFO - moving on ...
+2024-12-09 10:29:26,317 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:26,317 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,317 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,317 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,319 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,319 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,319 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:26,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:26,319 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,335 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,336 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,336 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:26,336 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,336 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,336 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,338 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,338 - INFO - moving on ...
+2024-12-09 10:29:26,338 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:26,338 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,338 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,338 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,340 - INFO - number of orbitals:  55
+2024-12-09 10:29:26,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,340 - INFO - moving on ...
+2024-12-09 10:29:26,340 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:26,340 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:26,340 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:26,340 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,340 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:26,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,342 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,342 - INFO - moving on ...
+2024-12-09 10:29:26,342 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:26,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,343 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,343 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,343 - INFO - moving on ...
+2024-12-09 10:29:26,343 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:26,343 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:26,343 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:26,344 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,344 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:26,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,345 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,345 - INFO - moving on ...
+2024-12-09 10:29:26,345 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:26,345 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:26,345 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:26,345 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,345 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:26,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,346 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,346 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,346 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:26,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:26,347 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:26,363 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,363 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,363 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:26,363 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:26,363 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:26,363 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,364 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:26,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,365 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,365 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,365 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:26,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:26,365 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:26,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,382 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,382 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:26,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:26,382 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,382 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:26,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,383 - INFO - number of orbitals:  74
+2024-12-09 10:29:26,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,383 - INFO - moving on ...
+2024-12-09 10:29:26,383 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:26,383 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:26,383 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:26,383 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,384 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:26,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,385 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,385 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,385 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:26,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:26,385 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,401 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,401 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,402 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:26,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:26,402 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,402 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:26,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,403 - INFO - number of orbitals:  90
+2024-12-09 10:29:26,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,403 - INFO - moving on ...
+2024-12-09 10:29:26,403 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:26,403 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:26,404 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:26,404 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,404 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:26,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,405 - INFO - number of orbitals:  69
+2024-12-09 10:29:26,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,405 - INFO - moving on ...
+2024-12-09 10:29:26,405 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:26,405 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:26,405 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:26,405 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,405 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:26,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,406 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,407 - INFO - moving on ...
+2024-12-09 10:29:26,407 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:26,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,408 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,408 - INFO - moving on ...
+2024-12-09 10:29:26,408 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:26,408 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:26,408 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:26,408 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,408 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:26,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,410 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,410 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,410 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:26,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:26,410 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:26,427 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,427 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,427 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:26,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:26,427 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,427 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:26,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,429 - INFO - number of orbitals:  106
+2024-12-09 10:29:26,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,429 - INFO - moving on ...
+2024-12-09 10:29:26,429 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:26,429 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:26,429 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:26,429 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,429 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:26,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,431 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,431 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,431 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:26,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:26,431 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:26,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,448 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,448 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:26,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:26,448 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,448 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:26,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,450 - INFO - number of orbitals:  118
+2024-12-09 10:29:26,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,450 - INFO - moving on ...
+2024-12-09 10:29:26,450 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:26,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,451 - INFO - number of orbitals:  68
+2024-12-09 10:29:26,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,451 - INFO - moving on ...
+2024-12-09 10:29:26,451 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:26,451 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:26,451 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:26,451 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,452 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:26,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,453 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,453 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:26,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:26,453 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:26,469 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,470 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,470 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:26,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:26,470 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,470 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:26,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,471 - INFO - number of orbitals:  114
+2024-12-09 10:29:26,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,472 - INFO - moving on ...
+2024-12-09 10:29:26,472 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:26,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,473 - INFO - number of orbitals:  64
+2024-12-09 10:29:26,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,473 - INFO - moving on ...
+2024-12-09 10:29:26,473 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:26,473 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:26,473 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:26,473 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,473 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:26,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,474 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,475 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,475 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:26,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:26,475 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:26,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,491 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,491 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:26,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:26,491 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,491 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:26,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,493 - INFO - number of orbitals:  115
+2024-12-09 10:29:26,493 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,493 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,493 - INFO - moving on ...
+2024-12-09 10:29:26,493 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:26,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,494 - INFO - number of orbitals:  58
+2024-12-09 10:29:26,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,495 - INFO - moving on ...
+2024-12-09 10:29:26,495 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:26,495 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:26,495 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:26,495 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,495 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:26,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,496 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,496 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,496 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:26,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:26,496 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:26,513 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,513 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,513 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:26,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:26,513 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,514 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:26,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,515 - INFO - number of orbitals:  78
+2024-12-09 10:29:26,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,515 - INFO - moving on ...
+2024-12-09 10:29:26,515 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:26,515 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:26,515 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:26,515 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,516 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:26,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,517 - INFO - number of orbitals:  58
+2024-12-09 10:29:26,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,517 - INFO - moving on ...
+2024-12-09 10:29:26,517 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:26,517 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:26,517 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:26,517 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,517 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:26,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,519 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,519 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,519 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:26,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:26,519 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:26,535 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,535 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,535 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:26,536 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:26,536 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:26,536 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,536 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:26,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,537 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,537 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,537 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:26,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:26,538 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:26,554 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,555 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,555 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:26,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:26,555 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,555 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:26,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,556 - INFO - number of orbitals:  86
+2024-12-09 10:29:26,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,557 - INFO - moving on ...
+2024-12-09 10:29:26,557 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:26,557 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:26,557 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:26,557 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,557 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:26,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,558 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,558 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,558 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,558 - INFO - moving on ...
+2024-12-09 10:29:26,558 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:26,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,560 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,560 - INFO - moving on ...
+2024-12-09 10:29:26,560 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:26,560 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:26,560 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:26,560 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,560 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:26,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,561 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,561 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,562 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:26,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:26,562 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:26,579 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,580 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,580 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:26,580 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:26,580 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:26,580 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,580 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:26,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,582 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,582 - INFO - moving on ...
+2024-12-09 10:29:26,582 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:26,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,583 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,583 - INFO - moving on ...
+2024-12-09 10:29:26,583 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:26,583 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:26,583 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:26,583 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,583 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:26,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,585 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,585 - INFO - moving on ...
+2024-12-09 10:29:26,585 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:26,585 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:26,585 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:26,585 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,585 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:26,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,586 - INFO - number of orbitals:  69
+2024-12-09 10:29:26,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,587 - INFO - moving on ...
+2024-12-09 10:29:26,587 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:26,587 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:26,587 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:26,587 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,587 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:26,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,588 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,588 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,588 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:26,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:26,588 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,605 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,605 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,605 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:26,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:26,606 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,606 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:26,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,607 - INFO - number of orbitals:  116
+2024-12-09 10:29:26,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,607 - INFO - moving on ...
+2024-12-09 10:29:26,607 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:26,608 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:26,608 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:26,608 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,608 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:26,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,609 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,609 - INFO - moving on ...
+2024-12-09 10:29:26,609 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:26,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,610 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,610 - INFO - moving on ...
+2024-12-09 10:29:26,610 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:26,611 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:26,611 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:26,611 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,611 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:26,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,612 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,612 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:26,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:26,612 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:26,629 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,629 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,629 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:26,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:26,629 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,629 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:26,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,631 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,631 - INFO - moving on ...
+2024-12-09 10:29:26,631 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:26,631 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:26,631 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:26,631 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,631 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:26,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,632 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,632 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,633 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:26,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:26,633 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:26,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,649 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,649 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:26,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:26,650 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,650 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:26,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,651 - INFO - number of orbitals:  110
+2024-12-09 10:29:26,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,651 - INFO - moving on ...
+2024-12-09 10:29:26,651 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:26,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,652 - INFO - number of orbitals:  60
+2024-12-09 10:29:26,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,653 - INFO - moving on ...
+2024-12-09 10:29:26,653 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:26,653 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:26,653 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:26,653 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,653 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:26,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,654 - INFO - number of orbitals:  54
+2024-12-09 10:29:26,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,654 - INFO - moving on ...
+2024-12-09 10:29:26,654 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:26,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,655 - INFO - number of orbitals:  135
+2024-12-09 10:29:26,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,656 - INFO - moving on ...
+2024-12-09 10:29:26,656 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:26,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,657 - INFO - number of orbitals:  88
+2024-12-09 10:29:26,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,657 - INFO - moving on ...
+2024-12-09 10:29:26,657 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:26,657 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:26,657 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:26,657 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,657 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:26,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,658 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,659 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,659 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:26,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:26,659 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:26,677 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,677 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,677 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:26,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:26,678 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,678 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:26,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,679 - INFO - number of orbitals:  119
+2024-12-09 10:29:26,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,680 - INFO - moving on ...
+2024-12-09 10:29:26,680 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:26,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,681 - INFO - number of orbitals:  62
+2024-12-09 10:29:26,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,681 - INFO - moving on ...
+2024-12-09 10:29:26,681 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:26,681 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:26,681 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:26,681 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,682 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:26,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,683 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,683 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,683 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:26,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:26,683 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:26,700 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,700 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,700 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:26,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:26,700 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,700 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:26,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,702 - INFO - number of orbitals:  64
+2024-12-09 10:29:26,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,702 - INFO - moving on ...
+2024-12-09 10:29:26,702 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:26,702 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:26,702 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:26,702 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,702 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:26,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,704 - INFO - number of orbitals:  52
+2024-12-09 10:29:26,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,704 - INFO - moving on ...
+2024-12-09 10:29:26,704 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:26,704 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:26,704 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:26,704 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,704 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:26,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,705 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,705 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:26,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:26,705 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:26,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,723 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,723 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:26,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:26,723 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,723 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:26,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,725 - INFO - number of orbitals:  89
+2024-12-09 10:29:26,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,725 - INFO - moving on ...
+2024-12-09 10:29:26,725 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:26,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,726 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,726 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,727 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:26,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:26,727 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:26,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,744 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,744 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:26,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:26,744 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,744 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:26,745 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:26,745 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:26,745 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,745 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:26,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,746 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,747 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,747 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:26,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:26,747 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:26,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,765 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,765 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:26,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:26,765 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,765 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:26,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,767 - INFO - number of orbitals:  94
+2024-12-09 10:29:26,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,767 - INFO - moving on ...
+2024-12-09 10:29:26,767 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:26,767 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:26,767 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:26,767 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,767 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:26,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,769 - INFO - number of orbitals:  70
+2024-12-09 10:29:26,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,769 - INFO - moving on ...
+2024-12-09 10:29:26,769 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:26,769 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:26,769 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:26,769 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,769 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:26,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,771 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,771 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,771 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:26,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:26,771 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:26,790 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,791 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,791 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:26,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:26,791 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,791 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:26,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,792 - INFO - number of orbitals:  79
+2024-12-09 10:29:26,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,792 - INFO - moving on ...
+2024-12-09 10:29:26,792 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:26,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,794 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,794 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,794 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:26,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:26,794 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:26,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,810 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,810 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:26,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:26,810 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,810 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:26,810 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:26,810 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:26,810 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,811 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:26,811 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,811 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,811 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,813 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,813 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,813 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:26,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:26,813 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:26,829 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,830 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,830 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:26,830 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,830 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,830 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,832 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,832 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,832 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:26,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:26,832 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:26,849 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,849 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,849 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:26,849 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,849 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,849 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,851 - INFO - number of orbitals:  90
+2024-12-09 10:29:26,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,851 - INFO - moving on ...
+2024-12-09 10:29:26,851 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:26,851 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,852 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,853 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,853 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,854 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:26,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:26,854 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:26,870 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,871 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,871 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:26,871 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,871 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,871 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,873 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,873 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,873 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:26,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:26,873 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:26,889 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,890 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,890 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:26,890 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,890 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,890 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,892 - INFO - number of orbitals:  90
+2024-12-09 10:29:26,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,892 - INFO - moving on ...
+2024-12-09 10:29:26,892 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:26,892 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:26,892 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:26,892 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,892 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:26,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,894 - INFO - number of supporting files: 2
+2024-12-09 10:29:26,894 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:26,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:26,894 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:26,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,910 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,910 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:26,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:26,910 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:26,910 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:26,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,912 - INFO - number of orbitals:  115
+2024-12-09 10:29:26,912 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,912 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,912 - INFO - moving on ...
+2024-12-09 10:29:26,912 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:26,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,913 - INFO - number of orbitals:  58
+2024-12-09 10:29:26,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,913 - INFO - moving on ...
+2024-12-09 10:29:26,913 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:26,913 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:26,913 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:26,914 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,914 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:26,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,915 - INFO - number of orbitals:  76
+2024-12-09 10:29:26,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:26,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:26,915 - INFO - moving on ...
+2024-12-09 10:29:26,915 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:26,915 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:26,915 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:26,915 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,915 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:26,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,916 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,916 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,917 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:26,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:26,917 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:26,933 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,933 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,934 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:26,934 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:26,934 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:26,934 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:26,934 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:26,934 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,934 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,934 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,936 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,936 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,936 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:26,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:26,937 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:26,953 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,954 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,954 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:26,954 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,954 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,954 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,956 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,956 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,956 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:26,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:26,956 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:26,972 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,973 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,973 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:26,973 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,973 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,973 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,975 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,975 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,975 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:26,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:26,975 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:26,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:26,992 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:26,992 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:26,992 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:26,992 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:26,992 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:26,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:26,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:26,994 - INFO - number of supporting files: 1
+2024-12-09 10:29:26,994 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:26,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:26,994 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:27,010 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,010 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,010 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:27,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,011 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,011 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,013 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,013 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:27,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:27,013 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:27,029 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,029 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,029 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:27,029 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,029 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,029 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,031 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,031 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:27,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:27,031 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,048 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,048 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:27,048 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:27,048 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:27,048 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,048 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:27,048 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,049 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,049 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,050 - INFO - number of orbitals:  69
+2024-12-09 10:29:27,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,051 - INFO - moving on ...
+2024-12-09 10:29:27,051 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:27,051 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,051 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,051 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,053 - INFO - number of orbitals:  70
+2024-12-09 10:29:27,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,053 - INFO - moving on ...
+2024-12-09 10:29:27,053 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:27,053 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,053 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,053 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,055 - INFO - number of orbitals:  69
+2024-12-09 10:29:27,055 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,055 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,055 - INFO - moving on ...
+2024-12-09 10:29:27,055 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:27,055 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:27,055 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:27,055 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,055 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:27,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,056 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,056 - INFO - moving on ...
+2024-12-09 10:29:27,056 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:27,057 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:27,057 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:27,057 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,057 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:27,057 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,057 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,057 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,059 - INFO - number of orbitals:  55
+2024-12-09 10:29:27,059 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,059 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,059 - INFO - moving on ...
+2024-12-09 10:29:27,059 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:27,059 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,059 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,059 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,061 - INFO - number of orbitals:  70
+2024-12-09 10:29:27,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,061 - INFO - moving on ...
+2024-12-09 10:29:27,061 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:27,061 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,061 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,061 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,063 - INFO - number of orbitals:  55
+2024-12-09 10:29:27,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,063 - INFO - moving on ...
+2024-12-09 10:29:27,063 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:27,063 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,063 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,063 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,065 - INFO - number of orbitals:  69
+2024-12-09 10:29:27,065 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,065 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,065 - INFO - moving on ...
+2024-12-09 10:29:27,065 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:27,065 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,065 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,065 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,066 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,067 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,067 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:27,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:27,067 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:27,083 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,084 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,084 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:27,084 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,084 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,084 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,086 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,086 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:27,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:27,086 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:27,103 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,103 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,103 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:27,103 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,103 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,103 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,105 - INFO - number of orbitals:  55
+2024-12-09 10:29:27,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,105 - INFO - moving on ...
+2024-12-09 10:29:27,105 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:27,105 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,106 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,106 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,107 - INFO - number of orbitals:  69
+2024-12-09 10:29:27,107 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,108 - INFO - moving on ...
+2024-12-09 10:29:27,108 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:27,108 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,108 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,108 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,110 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,110 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,110 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:27,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:27,110 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:27,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,127 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,127 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:27,127 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,127 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,129 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,129 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:27,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:27,129 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:27,146 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,146 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,146 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:27,146 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,147 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,147 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,149 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,149 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:27,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:27,149 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:27,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,165 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,165 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:27,166 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,166 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,166 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,168 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,168 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:27,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:27,168 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:27,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,184 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,185 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:27,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,187 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,187 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,187 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:27,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:27,187 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:27,203 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,203 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,204 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:27,204 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,204 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,204 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,206 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,206 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,206 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:27,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:27,206 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:27,222 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,223 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,223 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:27,223 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,223 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,223 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,225 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,225 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,225 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:27,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:27,225 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:27,242 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,242 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,242 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:27,242 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,242 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,242 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,244 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,245 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,245 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:27,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:27,245 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:27,261 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,262 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,262 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:27,262 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:27,262 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:27,262 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,262 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:27,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,264 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,264 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,264 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:27,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:27,264 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:27,280 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,281 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,281 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:27,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:27,281 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,281 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:27,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,283 - INFO - number of orbitals:  90
+2024-12-09 10:29:27,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
+2024-12-09 10:29:27,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,283 - INFO - moving on ...
+2024-12-09 10:29:27,283 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:27,283 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:27,283 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:27,283 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,283 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:27,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,284 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,284 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,284 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:27,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:27,285 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:27,301 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,301 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,301 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:27,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:27,301 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,301 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:27,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,303 - INFO - number of orbitals:  118
+2024-12-09 10:29:27,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,303 - INFO - moving on ...
+2024-12-09 10:29:27,303 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:27,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,304 - INFO - number of orbitals:  68
+2024-12-09 10:29:27,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,305 - INFO - moving on ...
+2024-12-09 10:29:27,305 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:27,305 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:27,305 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:27,305 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,305 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:27,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,306 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,306 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,306 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:27,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:27,306 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:27,324 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,324 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,324 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:27,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:27,324 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,324 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:27,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,326 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,326 - INFO - moving on ...
+2024-12-09 10:29:27,326 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:27,326 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:27,326 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:27,327 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,327 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:27,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,328 - INFO - number of orbitals:  66
+2024-12-09 10:29:27,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,328 - INFO - moving on ...
+2024-12-09 10:29:27,328 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:27,329 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:27,329 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:27,329 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,329 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:27,329 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,329 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,329 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,331 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,331 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:27,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:27,331 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:27,349 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,349 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,349 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:27,349 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,350 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,350 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,352 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,352 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,352 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:27,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:27,352 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:27,369 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,370 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,370 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:27,370 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,370 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,370 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,372 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,372 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,372 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:27,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:27,372 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,389 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,389 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,390 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:27,390 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,390 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,390 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,392 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,392 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,392 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:27,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:27,392 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,409 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,409 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:27,409 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,410 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,410 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,412 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,412 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,412 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:27,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:27,412 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:27,428 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,429 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,429 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:27,429 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,429 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,429 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,431 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,431 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,431 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:27,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:27,431 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:27,448 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,449 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,449 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:27,449 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,449 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,449 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,451 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,452 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,452 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:27,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:27,452 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:27,475 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,475 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,475 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:27,476 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,476 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,476 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,479 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,479 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,479 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:27,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:27,479 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:27,497 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,497 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,497 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:27,497 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,498 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,498 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,500 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,500 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,500 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:27,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:27,500 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:27,522 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,523 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,523 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:27,523 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,523 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,523 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,526 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,526 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:27,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:27,527 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:27,546 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,546 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,546 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:27,546 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,546 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,547 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,548 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,548 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,549 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:27,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:27,549 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,565 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,565 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,565 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:27,565 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,565 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,565 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,567 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,567 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,567 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:27,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:27,567 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:27,584 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,584 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,584 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:27,584 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:27,584 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:27,584 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,584 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:27,585 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,585 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,585 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,587 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,587 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,587 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:27,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:27,587 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:27,603 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,603 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,603 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:27,603 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,605 - INFO - number of orbitals:  108
+2024-12-09 10:29:27,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,605 - INFO - moving on ...
+2024-12-09 10:29:27,605 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:27,606 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:27,606 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:27,606 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,606 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:27,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,607 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,607 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,607 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:27,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:27,607 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:27,624 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,624 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,624 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:27,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:27,624 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,624 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:27,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,626 - INFO - number of orbitals:  135
+2024-12-09 10:29:27,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,626 - INFO - moving on ...
+2024-12-09 10:29:27,626 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:27,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,627 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,627 - INFO - moving on ...
+2024-12-09 10:29:27,627 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:27,627 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:27,627 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:27,627 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,627 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:27,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,629 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,629 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,629 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:27,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:27,629 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:27,645 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,645 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,645 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:27,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:27,645 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,645 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:27,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,647 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,647 - INFO - moving on ...
+2024-12-09 10:29:27,647 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:27,647 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:27,647 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:27,647 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,647 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:27,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,648 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,648 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:27,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:27,648 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:27,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,664 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,664 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:27,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:27,665 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,665 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:27,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,666 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,666 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,666 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,666 - INFO - moving on ...
+2024-12-09 10:29:27,666 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:27,666 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:27,667 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:27,667 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,667 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:27,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,668 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,668 - INFO - moving on ...
+2024-12-09 10:29:27,668 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:27,668 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:27,668 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:27,668 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,668 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:27,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,669 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,670 - INFO - moving on ...
+2024-12-09 10:29:27,670 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:27,670 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:27,670 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:27,670 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,670 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:27,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,671 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,671 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,671 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:27,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:27,671 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:27,687 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,688 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,688 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:27,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:27,688 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,688 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:27,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,689 - INFO - number of orbitals:  118
+2024-12-09 10:29:27,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,689 - INFO - moving on ...
+2024-12-09 10:29:27,689 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:27,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,691 - INFO - number of orbitals:  68
+2024-12-09 10:29:27,691 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,691 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,691 - INFO - moving on ...
+2024-12-09 10:29:27,691 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:27,691 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:27,691 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:27,691 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,691 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:27,691 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,691 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,691 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,693 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,693 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,693 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:27,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:27,693 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,709 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,710 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,710 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:27,710 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,710 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,710 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,712 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,712 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,712 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:27,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:27,712 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:27,728 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,728 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,728 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:27,728 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,728 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,728 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,730 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,730 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,730 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:27,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:27,731 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:27,747 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,747 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,748 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:27,748 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,748 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,748 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,750 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,750 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,750 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:27,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:27,750 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:27,766 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,766 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,767 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:27,767 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,767 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,767 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,769 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,769 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,769 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:27,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:27,769 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:27,785 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,785 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,785 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:27,785 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,785 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,785 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,788 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,788 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,788 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:27,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:27,788 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:27,805 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,805 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,805 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:27,805 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,805 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,805 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,807 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,807 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,807 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:27,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:27,808 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:27,824 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,824 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,824 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:27,824 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:27,824 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:27,824 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:27,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,826 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,826 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,826 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:27,826 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:27,827 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:27,843 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,843 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,844 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:27,844 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:27,844 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:27,844 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,844 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:27,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,845 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,845 - INFO - moving on ...
+2024-12-09 10:29:27,846 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:27,846 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:27,846 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:27,846 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,846 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:27,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,847 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,847 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,847 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:27,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:27,847 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:27,864 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,864 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,864 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:27,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:27,864 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,865 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:27,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,866 - INFO - number of orbitals:  76
+2024-12-09 10:29:27,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,866 - INFO - moving on ...
+2024-12-09 10:29:27,866 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:27,866 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:27,866 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:27,866 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,866 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:27,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,868 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,868 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:27,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:27,868 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:27,885 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,885 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,885 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:27,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:27,885 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,885 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:27,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,887 - INFO - number of orbitals:  119
+2024-12-09 10:29:27,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,887 - INFO - moving on ...
+2024-12-09 10:29:27,887 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:27,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,888 - INFO - number of orbitals:  62
+2024-12-09 10:29:27,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,888 - INFO - moving on ...
+2024-12-09 10:29:27,888 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:27,889 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:27,889 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:27,889 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,889 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:27,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,890 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,890 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:27,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:27,890 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:27,906 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,907 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,907 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:27,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:27,907 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,907 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:27,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,908 - INFO - number of orbitals:  135
+2024-12-09 10:29:27,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,909 - INFO - moving on ...
+2024-12-09 10:29:27,909 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:27,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,910 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,910 - INFO - moving on ...
+2024-12-09 10:29:27,910 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:27,910 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:27,910 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:27,910 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,910 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:27,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,911 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,911 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:27,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:27,912 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:27,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,928 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,928 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:27,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:27,929 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,929 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:27,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,930 - INFO - number of orbitals:  118
+2024-12-09 10:29:27,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,930 - INFO - moving on ...
+2024-12-09 10:29:27,930 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:27,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,931 - INFO - number of orbitals:  68
+2024-12-09 10:29:27,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,932 - INFO - moving on ...
+2024-12-09 10:29:27,932 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:27,932 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:27,932 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:27,932 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,932 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:27,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,933 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,933 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,933 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:27,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:27,933 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:27,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,949 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,949 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:27,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:27,949 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,949 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:27,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,951 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,951 - INFO - moving on ...
+2024-12-09 10:29:27,951 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:27,951 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:27,951 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:27,951 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,951 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:27,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,953 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,953 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:27,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:27,953 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:27,970 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,970 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,970 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:27,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:27,970 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,970 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:27,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,972 - INFO - number of orbitals:  110
+2024-12-09 10:29:27,972 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,972 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,972 - INFO - moving on ...
+2024-12-09 10:29:27,972 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:27,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,973 - INFO - number of orbitals:  60
+2024-12-09 10:29:27,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,973 - INFO - moving on ...
+2024-12-09 10:29:27,973 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:27,974 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:27,974 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:27,974 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,974 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:27,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,975 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,975 - INFO - number of supporting files: 2
+2024-12-09 10:29:27,975 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:27,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:27,975 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:27,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:27,991 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:27,991 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:27,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:27,992 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:27,992 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:27,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,993 - INFO - number of orbitals:  88
+2024-12-09 10:29:27,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:27,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:27,993 - INFO - moving on ...
+2024-12-09 10:29:27,993 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:27,993 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:27,993 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:27,993 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:27,993 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:27,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:27,995 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:27,995 - INFO - number of supporting files: 1
+2024-12-09 10:29:27,995 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:27,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:27,995 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:28,012 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,012 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,012 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:28,013 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:28,013 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:28,013 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,013 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:28,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,014 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,014 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,014 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:28,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:28,015 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:28,031 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,031 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,031 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:28,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:28,031 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,031 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:28,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,033 - INFO - number of orbitals:  88
+2024-12-09 10:29:28,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,033 - INFO - moving on ...
+2024-12-09 10:29:28,033 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:28,033 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:28,033 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:28,033 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,033 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:28,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,034 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,034 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,034 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:28,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:28,034 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:28,050 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,051 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,051 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:28,051 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:28,051 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:28,051 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,051 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:28,051 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,051 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,051 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,053 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,053 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:28,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:28,053 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,070 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,070 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,070 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:28,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,072 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,073 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:28,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:28,073 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:28,089 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,090 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,090 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:28,090 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,090 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,090 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,092 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,092 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,092 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:28,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:28,092 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,109 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,110 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,110 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:28,110 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,110 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,110 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,112 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,112 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,112 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:28,112 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:28,112 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:28,129 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,129 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,129 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:28,129 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:28,129 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:28,129 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,129 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:28,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,131 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,131 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,131 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:28,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:28,131 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,147 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,148 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,148 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:28,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:28,148 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,148 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:28,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,150 - INFO - number of orbitals:  85
+2024-12-09 10:29:28,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,150 - INFO - moving on ...
+2024-12-09 10:29:28,150 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:28,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,151 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,151 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:28,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:28,151 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:28,167 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,168 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,168 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:28,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:28,168 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,168 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:28,168 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:28,168 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:28,168 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,168 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:28,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,170 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,170 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:28,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:28,170 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:28,186 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,186 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,186 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:28,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:28,186 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,186 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:28,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,188 - INFO - number of orbitals:  110
+2024-12-09 10:29:28,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,188 - INFO - moving on ...
+2024-12-09 10:29:28,188 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:28,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,189 - INFO - number of orbitals:  60
+2024-12-09 10:29:28,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,189 - INFO - moving on ...
+2024-12-09 10:29:28,189 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:28,189 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:28,189 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:28,189 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,189 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:28,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,191 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,191 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:28,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:28,191 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:28,207 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,208 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,208 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:28,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:28,208 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,208 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:28,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,210 - INFO - number of orbitals:  85
+2024-12-09 10:29:28,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,210 - INFO - moving on ...
+2024-12-09 10:29:28,210 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:28,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,212 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,212 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,212 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:28,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:28,212 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:28,229 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,230 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,230 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:28,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:28,230 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,230 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:28,230 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:28,230 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:28,230 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,230 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:28,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,232 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,232 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,232 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:28,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:28,232 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:28,249 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,249 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,249 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:28,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:28,250 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,250 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:28,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,251 - INFO - number of orbitals:  88
+2024-12-09 10:29:28,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,251 - INFO - moving on ...
+2024-12-09 10:29:28,251 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:28,251 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:28,252 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:28,252 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,252 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:28,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,253 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,253 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,253 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:28,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:28,253 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:28,270 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,270 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,270 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:28,271 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:28,271 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:28,271 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,271 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:28,271 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,271 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,271 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,273 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,273 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,273 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:28,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:28,273 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:28,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,290 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,290 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:28,290 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,290 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,290 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,292 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,292 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:28,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:28,292 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:28,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,309 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,309 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:28,309 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,309 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,309 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,311 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,311 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:28,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:28,311 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:28,328 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,328 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,328 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:28,328 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,329 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,329 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,330 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,331 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,331 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:28,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:28,331 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:28,347 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,347 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,347 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:28,347 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,348 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,348 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,350 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,350 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,350 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:28,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:28,350 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:28,366 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,367 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,367 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:28,367 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,367 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,367 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,369 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,369 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:28,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:28,369 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:28,386 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,386 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,386 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:28,386 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,386 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,386 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,388 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,389 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,389 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:28,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:28,389 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:28,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,406 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,406 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:28,406 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,406 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,406 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,408 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,408 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,408 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:28,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:28,409 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:28,425 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,426 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,426 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:28,426 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,426 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,426 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,428 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,428 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:28,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:28,428 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:28,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,445 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,445 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:28,445 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:28,445 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:28,445 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,445 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:28,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,447 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,447 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,447 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:28,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:28,447 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:28,463 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,464 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,464 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:28,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:28,464 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,464 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:28,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,465 - INFO - number of orbitals:  88
+2024-12-09 10:29:28,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,465 - INFO - moving on ...
+2024-12-09 10:29:28,465 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:28,466 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:28,466 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:28,466 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,466 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:28,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,467 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,467 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,467 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:28,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:28,467 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:28,483 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,484 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,484 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:28,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:28,484 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,484 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:28,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,485 - INFO - number of orbitals:  72
+2024-12-09 10:29:28,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,485 - INFO - moving on ...
+2024-12-09 10:29:28,486 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:28,486 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:28,486 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:28,486 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,486 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:28,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,487 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,487 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,487 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:28,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:28,487 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:28,504 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,505 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,505 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:28,505 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:28,505 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:28,505 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,505 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:28,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,507 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,507 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:28,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:28,507 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:28,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,524 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,524 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:28,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:28,524 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,524 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:28,524 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:28,524 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:28,524 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,524 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:28,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,526 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,526 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:28,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:28,526 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:28,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,542 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,543 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:28,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:28,543 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,543 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:28,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,544 - INFO - number of orbitals:  116
+2024-12-09 10:29:28,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,544 - INFO - moving on ...
+2024-12-09 10:29:28,545 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:28,545 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:28,545 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:28,545 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,545 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:28,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,547 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,547 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:28,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:28,547 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,568 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,568 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:28,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:28,568 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,568 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:28,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,570 - INFO - number of orbitals:  79
+2024-12-09 10:29:28,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,570 - INFO - moving on ...
+2024-12-09 10:29:28,570 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:28,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,572 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,572 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:28,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:28,572 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:28,593 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,594 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,594 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:28,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:28,594 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,594 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:28,594 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:28,594 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:28,594 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,594 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:28,595 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,595 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,595 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,597 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,597 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,597 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:28,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:28,597 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:28,619 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,619 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,619 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:28,619 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,620 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,620 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,622 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,622 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,622 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:28,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:28,622 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:28,644 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,644 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,644 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:28,645 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,645 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,645 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,647 - INFO - number of orbitals:  68
+2024-12-09 10:29:28,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,648 - INFO - moving on ...
+2024-12-09 10:29:28,648 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:28,648 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,648 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,650 - INFO - number of orbitals:  76
+2024-12-09 10:29:28,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,650 - INFO - moving on ...
+2024-12-09 10:29:28,650 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:28,650 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,651 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,651 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,653 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,653 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,653 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:28,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:28,653 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:28,674 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,675 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,675 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:28,675 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,675 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,675 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,678 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,678 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,678 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:28,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:28,678 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:28,696 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,697 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,697 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:28,697 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,697 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,697 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,698 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,699 - INFO - number of orbitals:  68
+2024-12-09 10:29:28,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,699 - INFO - moving on ...
+2024-12-09 10:29:28,699 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:28,699 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,699 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,699 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,701 - INFO - number of orbitals:  76
+2024-12-09 10:29:28,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,701 - INFO - moving on ...
+2024-12-09 10:29:28,701 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:28,701 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,702 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,702 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,704 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,704 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,704 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:28,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:28,704 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:28,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,726 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,726 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:28,726 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,726 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,726 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,729 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,729 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:28,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:28,729 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,750 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,751 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,751 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:28,751 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,751 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,751 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,754 - INFO - number of orbitals:  68
+2024-12-09 10:29:28,754 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,754 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,754 - INFO - moving on ...
+2024-12-09 10:29:28,754 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:28,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,754 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,754 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,756 - INFO - number of orbitals:  76
+2024-12-09 10:29:28,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,757 - INFO - moving on ...
+2024-12-09 10:29:28,757 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:28,757 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:28,757 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:28,757 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,757 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:28,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,759 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,759 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,759 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:28,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:28,759 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:28,780 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,781 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,781 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:28,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:28,781 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,781 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:28,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,783 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,783 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,783 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:28,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:28,783 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:28,805 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,805 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,806 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:28,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:28,806 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,806 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:28,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,808 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,808 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,808 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:28,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:28,808 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:28,825 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,825 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,825 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:28,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:28,825 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,825 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:28,825 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:28,826 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:28,826 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,826 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:28,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,827 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,827 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,827 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:28,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:28,827 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:28,844 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,844 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,844 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:28,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:28,844 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,844 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:28,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,846 - INFO - number of orbitals:  110
+2024-12-09 10:29:28,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,846 - INFO - moving on ...
+2024-12-09 10:29:28,846 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:28,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,847 - INFO - number of orbitals:  60
+2024-12-09 10:29:28,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,847 - INFO - moving on ...
+2024-12-09 10:29:28,847 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:28,847 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:28,848 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:28,848 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,848 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:28,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,849 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,849 - INFO - number of supporting files: 2
+2024-12-09 10:29:28,849 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:28,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:28,849 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:28,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,866 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,866 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:28,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:28,866 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:28,866 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:28,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,868 - INFO - number of orbitals:  110
+2024-12-09 10:29:28,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,868 - INFO - moving on ...
+2024-12-09 10:29:28,868 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:28,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,869 - INFO - number of orbitals:  60
+2024-12-09 10:29:28,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,869 - INFO - moving on ...
+2024-12-09 10:29:28,869 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:28,870 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:28,870 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:28,870 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:28,870 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:28,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,870 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,872 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,872 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:28,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:28,872 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:28,888 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,889 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,889 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:28,889 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,889 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,889 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,891 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,891 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,891 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:28,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:28,891 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:28,908 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,909 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,909 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:28,909 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,909 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,909 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,911 - INFO - number of orbitals:  58
+2024-12-09 10:29:28,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:28,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:28,911 - INFO - moving on ...
+2024-12-09 10:29:28,911 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:28,911 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,911 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,911 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,913 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,913 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:28,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:28,913 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:28,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,929 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,929 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:28,929 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,929 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,929 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,931 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,931 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,931 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:28,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:28,932 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:28,948 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,948 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,948 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:28,948 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,949 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,949 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,951 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,951 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,951 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:28,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:28,951 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:28,967 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,967 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,967 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:28,967 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,967 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,968 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,969 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,970 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,970 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:28,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:28,970 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:28,986 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:28,986 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:28,986 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:28,986 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:28,986 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:28,986 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:28,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:28,988 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:28,988 - INFO - number of supporting files: 1
+2024-12-09 10:29:28,989 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:28,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:28,989 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:29,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,005 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,005 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:29,005 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,006 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,006 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,007 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,007 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,008 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:29,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:29,008 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:29,023 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,024 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,024 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:29,024 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:29,024 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:29,024 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,024 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:29,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,026 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,026 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,026 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:29,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:29,026 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:29,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,043 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,044 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:29,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:29,044 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,044 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:29,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,045 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,045 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,046 - INFO - moving on ...
+2024-12-09 10:29:29,046 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:29,046 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:29,046 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:29,046 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,046 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:29,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,047 - INFO - number of orbitals:  76
+2024-12-09 10:29:29,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,047 - INFO - moving on ...
+2024-12-09 10:29:29,047 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:29,047 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:29,047 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:29,048 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,048 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:29,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,049 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,049 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,049 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:29,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:29,049 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:29,067 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,067 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,067 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:29,068 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:29,068 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:29,068 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,068 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:29,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,070 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,070 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,070 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:29,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:29,070 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:29,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,089 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,089 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:29,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:29,089 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,089 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:29,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,090 - INFO - number of orbitals:  74
+2024-12-09 10:29:29,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,090 - INFO - moving on ...
+2024-12-09 10:29:29,091 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:29,091 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:29,091 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:29,091 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,091 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:29,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,092 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,092 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,092 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:29,093 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:29,093 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:29,110 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,110 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,110 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:29,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:29,110 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,110 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:29,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,112 - INFO - number of orbitals:  90
+2024-12-09 10:29:29,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,112 - INFO - moving on ...
+2024-12-09 10:29:29,112 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:29,112 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:29,112 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:29,112 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,112 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:29,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,113 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,113 - INFO - moving on ...
+2024-12-09 10:29:29,113 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:29,114 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:29,114 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:29,114 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,114 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:29,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,115 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,115 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,115 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:29,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:29,115 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:29,131 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,131 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,131 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:29,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:29,131 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,131 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:29,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,133 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,133 - INFO - moving on ...
+2024-12-09 10:29:29,133 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:29,133 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:29,133 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:29,133 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,133 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:29,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,135 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,135 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,135 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:29,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:29,135 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:29,151 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,152 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,152 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:29,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:29,152 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,152 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:29,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,153 - INFO - number of orbitals:  106
+2024-12-09 10:29:29,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,154 - INFO - moving on ...
+2024-12-09 10:29:29,154 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:29,154 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:29,154 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:29,154 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,154 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:29,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,155 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,156 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,156 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:29,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:29,156 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:29,172 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,172 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,172 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:29,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:29,172 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,172 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:29,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,174 - INFO - number of orbitals:  118
+2024-12-09 10:29:29,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,174 - INFO - moving on ...
+2024-12-09 10:29:29,174 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:29,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,175 - INFO - number of orbitals:  68
+2024-12-09 10:29:29,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,175 - INFO - moving on ...
+2024-12-09 10:29:29,175 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:29,176 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:29,176 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:29,176 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,176 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:29,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,177 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,177 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,177 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:29,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:29,177 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:29,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,193 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,193 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:29,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:29,193 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,193 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:29,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,195 - INFO - number of orbitals:  114
+2024-12-09 10:29:29,195 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,195 - INFO - moving on ...
+2024-12-09 10:29:29,195 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:29,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,196 - INFO - number of orbitals:  64
+2024-12-09 10:29:29,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,196 - INFO - moving on ...
+2024-12-09 10:29:29,196 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:29,197 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:29,197 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:29,197 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,197 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:29,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,198 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,198 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,198 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:29,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:29,198 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:29,213 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,214 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,214 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:29,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:29,214 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,214 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:29,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,216 - INFO - number of orbitals:  115
+2024-12-09 10:29:29,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,216 - INFO - moving on ...
+2024-12-09 10:29:29,216 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:29,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,217 - INFO - number of orbitals:  58
+2024-12-09 10:29:29,217 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,217 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,217 - INFO - moving on ...
+2024-12-09 10:29:29,217 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:29,217 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:29,217 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:29,217 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,217 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:29,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,219 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,219 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,219 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:29,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:29,219 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:29,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,236 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,236 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:29,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:29,236 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,236 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:29,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,237 - INFO - number of orbitals:  78
+2024-12-09 10:29:29,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,238 - INFO - moving on ...
+2024-12-09 10:29:29,238 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:29,238 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:29,238 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:29,238 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,238 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:29,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,239 - INFO - number of orbitals:  58
+2024-12-09 10:29:29,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,239 - INFO - moving on ...
+2024-12-09 10:29:29,239 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:29,239 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:29,239 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:29,239 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,240 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:29,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,241 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,241 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,241 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:29,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:29,241 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:29,258 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,258 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,258 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:29,258 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:29,258 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:29,258 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,258 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:29,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,260 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,260 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,260 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:29,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:29,260 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:29,277 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,277 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,277 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:29,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:29,278 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,278 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:29,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,279 - INFO - number of orbitals:  86
+2024-12-09 10:29:29,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,279 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,279 - INFO - moving on ...
+2024-12-09 10:29:29,279 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:29,279 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:29,279 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:29,279 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,280 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:29,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,281 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,281 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,281 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:29,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:29,281 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:29,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,299 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,299 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:29,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:29,299 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,299 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:29,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,301 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,301 - INFO - moving on ...
+2024-12-09 10:29:29,301 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:29,301 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:29,301 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:29,301 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,301 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:29,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,303 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,303 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,303 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:29,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:29,303 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:29,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,320 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,320 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:29,320 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:29,320 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:29,320 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,320 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:29,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,322 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,322 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,322 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:29,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:29,322 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:29,338 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,339 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,339 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:29,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:29,339 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,339 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:29,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,340 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,340 - INFO - moving on ...
+2024-12-09 10:29:29,340 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:29,341 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:29,341 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:29,341 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,341 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:29,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,342 - INFO - number of orbitals:  76
+2024-12-09 10:29:29,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,342 - INFO - moving on ...
+2024-12-09 10:29:29,342 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:29,342 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:29,342 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:29,342 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,342 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:29,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,344 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,344 - INFO - moving on ...
+2024-12-09 10:29:29,344 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:29,344 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:29,344 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:29,344 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,345 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:29,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,346 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,346 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,346 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:29,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:29,346 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:29,363 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,364 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,364 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:29,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:29,364 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,364 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:29,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,366 - INFO - number of orbitals:  116
+2024-12-09 10:29:29,366 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,366 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,366 - INFO - moving on ...
+2024-12-09 10:29:29,366 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:29,366 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:29,366 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:29,366 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,366 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:29,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,368 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,368 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,368 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:29,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:29,368 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:29,385 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,385 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,385 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:29,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:29,386 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,386 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:29,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,387 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,387 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,387 - INFO - moving on ...
+2024-12-09 10:29:29,387 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:29,388 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:29,388 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:29,388 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,388 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:29,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,389 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,389 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,389 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:29,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:29,389 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:29,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,406 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,406 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:29,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:29,406 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,406 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:29,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,408 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,408 - INFO - moving on ...
+2024-12-09 10:29:29,408 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:29,408 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:29,408 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:29,408 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,408 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:29,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,410 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,410 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,410 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:29,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:29,410 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:29,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,431 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,431 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:29,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:29,431 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,431 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:29,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,433 - INFO - number of orbitals:  110
+2024-12-09 10:29:29,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,433 - INFO - moving on ...
+2024-12-09 10:29:29,433 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:29,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,435 - INFO - number of orbitals:  60
+2024-12-09 10:29:29,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,436 - INFO - moving on ...
+2024-12-09 10:29:29,436 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:29,436 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:29,436 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:29,436 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,436 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:29,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,437 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,437 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,437 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:29,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:29,437 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:29,454 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,454 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,454 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:29,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:29,454 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,454 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:29,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,456 - INFO - number of orbitals:  135
+2024-12-09 10:29:29,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,456 - INFO - moving on ...
+2024-12-09 10:29:29,456 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:29,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,457 - INFO - number of orbitals:  88
+2024-12-09 10:29:29,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,457 - INFO - moving on ...
+2024-12-09 10:29:29,458 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:29,458 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:29,458 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:29,458 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,458 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:29,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,459 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,459 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,459 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:29,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:29,459 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:29,476 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,476 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,477 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:29,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:29,477 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,477 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:29,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,478 - INFO - number of orbitals:  119
+2024-12-09 10:29:29,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,478 - INFO - moving on ...
+2024-12-09 10:29:29,478 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:29,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,480 - INFO - number of orbitals:  62
+2024-12-09 10:29:29,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,480 - INFO - moving on ...
+2024-12-09 10:29:29,480 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:29,480 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:29,480 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:29,480 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,480 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:29,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,481 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,481 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,482 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:29,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:29,482 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:29,499 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,499 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,499 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:29,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:29,499 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,499 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:29,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,501 - INFO - number of orbitals:  64
+2024-12-09 10:29:29,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,501 - INFO - moving on ...
+2024-12-09 10:29:29,501 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:29,501 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:29,501 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:29,501 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,501 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:29,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,503 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,503 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:29,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:29,503 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:29,519 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,519 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,519 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:29,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:29,519 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,520 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:29,520 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:29,520 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:29,520 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,520 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:29,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,521 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,521 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,521 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:29,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:29,521 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:29,538 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,538 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,538 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:29,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:29,538 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,538 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:29,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,540 - INFO - number of orbitals:  89
+2024-12-09 10:29:29,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,540 - INFO - moving on ...
+2024-12-09 10:29:29,540 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:29,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,541 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,541 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,541 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:29,541 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:29,541 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:29,557 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,557 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,558 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:29,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:29,558 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,558 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:29,558 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:29,558 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:29,558 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,558 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:29,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,560 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,560 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,560 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:29,560 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:29,560 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:29,576 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,577 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,577 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:29,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:29,577 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,577 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:29,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,578 - INFO - number of orbitals:  94
+2024-12-09 10:29:29,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,579 - INFO - moving on ...
+2024-12-09 10:29:29,579 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:29,579 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:29,579 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:29,579 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,579 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:29,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,580 - INFO - number of orbitals:  70
+2024-12-09 10:29:29,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,580 - INFO - moving on ...
+2024-12-09 10:29:29,580 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:29,581 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:29,581 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:29,581 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,581 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:29,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,582 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,582 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:29,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:29,582 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:29,598 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,599 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,599 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:29,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:29,599 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,599 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:29,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,601 - INFO - number of orbitals:  79
+2024-12-09 10:29:29,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,601 - INFO - moving on ...
+2024-12-09 10:29:29,601 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:29,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,602 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,603 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,603 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:29,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:29,603 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:29,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,621 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,621 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:29,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:29,621 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,621 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:29,621 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:29,622 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:29,622 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,622 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:29,622 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,622 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,622 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,624 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,624 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,624 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:29,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:29,624 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:29,641 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,641 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,641 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:29,641 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,642 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,642 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,643 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,643 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,644 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:29,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:29,644 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:29,660 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,660 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,660 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:29,660 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,661 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,661 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,662 - INFO - number of orbitals:  90
+2024-12-09 10:29:29,663 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,663 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,663 - INFO - moving on ...
+2024-12-09 10:29:29,663 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:29,663 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,663 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,663 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,665 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,665 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,665 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:29,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:29,665 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:29,683 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,683 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,684 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:29,684 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,684 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,684 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,686 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,686 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,686 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:29,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:29,686 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:29,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,702 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,703 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:29,703 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,703 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,703 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,705 - INFO - number of orbitals:  90
+2024-12-09 10:29:29,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,705 - INFO - moving on ...
+2024-12-09 10:29:29,705 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:29,705 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:29,705 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:29,705 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,705 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:29,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,706 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,706 - INFO - number of supporting files: 2
+2024-12-09 10:29:29,706 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:29,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:29,706 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:29,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,722 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,722 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:29,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:29,722 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:29,723 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:29,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,724 - INFO - number of orbitals:  115
+2024-12-09 10:29:29,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,724 - INFO - moving on ...
+2024-12-09 10:29:29,724 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:29,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,725 - INFO - number of orbitals:  58
+2024-12-09 10:29:29,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,725 - INFO - moving on ...
+2024-12-09 10:29:29,725 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:29,726 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:29,726 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:29,726 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,726 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:29,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,727 - INFO - number of orbitals:  76
+2024-12-09 10:29:29,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,727 - INFO - moving on ...
+2024-12-09 10:29:29,727 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:29,727 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:29,727 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:29,727 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,727 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:29,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,728 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,728 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,729 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:29,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:29,729 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:29,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,744 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,744 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:29,744 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:29,745 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:29,745 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,745 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:29,745 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,745 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,745 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,747 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,747 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,747 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:29,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:29,747 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:29,762 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,763 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,763 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:29,763 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,763 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,763 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,765 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,765 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,765 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:29,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:29,765 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:29,781 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,781 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,781 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:29,781 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,782 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,782 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,784 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,784 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,784 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:29,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:29,784 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:29,802 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,802 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,802 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:29,802 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,802 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,802 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,804 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,804 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,804 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:29,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:29,804 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:29,820 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,821 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,821 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:29,821 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,821 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,821 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,823 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,823 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,823 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:29,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:29,823 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:29,839 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,839 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,839 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:29,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,839 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,839 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,841 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,841 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:29,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:29,841 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:29,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,857 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,857 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:29,857 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:29,858 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:29,858 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,858 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:29,858 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,858 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,858 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,860 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,860 - INFO - moving on ...
+2024-12-09 10:29:29,860 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:29,860 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,860 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,860 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,862 - INFO - number of orbitals:  70
+2024-12-09 10:29:29,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,862 - INFO - moving on ...
+2024-12-09 10:29:29,862 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:29,862 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,862 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,862 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,864 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,864 - INFO - moving on ...
+2024-12-09 10:29:29,864 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:29,864 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:29,864 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:29,864 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,864 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:29,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,865 - INFO - number of orbitals:  76
+2024-12-09 10:29:29,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,865 - INFO - moving on ...
+2024-12-09 10:29:29,865 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:29,866 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:29,866 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:29,866 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:29,866 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:29,866 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,866 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,866 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,868 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,868 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:29,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:29,868 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:29,884 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,884 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,884 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:29,884 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,884 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,884 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,886 - INFO - number of orbitals:  70
+2024-12-09 10:29:29,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,887 - INFO - moving on ...
+2024-12-09 10:29:29,887 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:29,887 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,887 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,887 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,889 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,889 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,889 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:29,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:29,889 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:29,905 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,905 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,905 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:29,905 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,905 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,905 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,907 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,907 - INFO - moving on ...
+2024-12-09 10:29:29,907 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:29,907 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,908 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,908 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,909 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,909 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,909 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:29,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:29,909 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:29,925 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,925 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,925 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:29,925 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,925 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,925 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,927 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,927 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:29,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:29,927 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:29,943 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,943 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,943 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:29,943 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,944 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,944 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,945 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,946 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:29,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:29,946 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:29,961 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,961 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,961 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:29,961 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,962 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,962 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,963 - INFO - number of orbitals:  69
+2024-12-09 10:29:29,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:29,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:29,964 - INFO - moving on ...
+2024-12-09 10:29:29,964 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:29,964 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,964 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,964 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,966 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,966 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:29,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:29,966 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:29,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:29,982 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:29,982 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:29,982 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:29,982 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:29,982 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:29,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:29,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:29,984 - INFO - number of supporting files: 1
+2024-12-09 10:29:29,984 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:29,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:29,984 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:30,002 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,003 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,003 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:30,003 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,003 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,003 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,005 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,005 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,005 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:30,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:30,005 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:30,021 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,021 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,021 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:30,021 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,021 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,021 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,023 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,023 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,023 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:30,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:30,023 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:30,039 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,040 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,040 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:30,040 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,040 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,040 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,042 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,042 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,042 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:30,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:30,042 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:30,058 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,058 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,058 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:30,058 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,058 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,059 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,060 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,060 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:30,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:30,061 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:30,076 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,077 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,077 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:30,077 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,077 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,077 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,079 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,079 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:30,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:30,079 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:30,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,096 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,096 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:30,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,098 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:30,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:30,098 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:30,113 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,114 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,114 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:30,114 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:30,114 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:30,114 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,114 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:30,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,115 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,116 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,116 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:30,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:30,116 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:30,131 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,131 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,131 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:30,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:30,131 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,131 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:30,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,133 - INFO - number of orbitals:  90
+2024-12-09 10:29:30,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
+2024-12-09 10:29:30,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,133 - INFO - moving on ...
+2024-12-09 10:29:30,133 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:30,133 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:30,133 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:30,133 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,133 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:30,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,135 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,135 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,135 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:30,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:30,135 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:30,150 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,151 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,151 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:30,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:30,151 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,151 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:30,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,152 - INFO - number of orbitals:  118
+2024-12-09 10:29:30,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,153 - INFO - moving on ...
+2024-12-09 10:29:30,153 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:30,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,154 - INFO - number of orbitals:  68
+2024-12-09 10:29:30,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,154 - INFO - moving on ...
+2024-12-09 10:29:30,154 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:30,154 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:30,154 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:30,154 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,154 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:30,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,155 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,156 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,156 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:30,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:30,156 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:30,172 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,172 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,172 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:30,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:30,172 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,172 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:30,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,174 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,174 - INFO - moving on ...
+2024-12-09 10:29:30,174 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:30,174 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:30,174 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:30,174 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,174 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:30,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,175 - INFO - number of orbitals:  66
+2024-12-09 10:29:30,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,175 - INFO - moving on ...
+2024-12-09 10:29:30,175 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:30,176 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:30,176 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:30,176 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,176 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:30,176 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,176 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,176 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,178 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,178 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,178 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:30,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:30,178 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:30,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,196 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,196 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:30,196 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,196 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,196 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,198 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,198 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,198 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:30,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:30,198 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:30,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,214 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,214 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:30,214 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,214 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,214 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,216 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,216 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:30,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:30,216 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,233 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,233 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,233 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:30,233 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,233 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,233 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,235 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,236 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,236 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:30,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:30,236 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,253 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,253 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:30,253 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,253 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,253 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,256 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,256 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:30,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:30,256 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:30,272 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,273 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,273 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:30,273 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,273 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,273 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,275 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,275 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,275 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:30,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:30,275 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:30,292 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,293 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,293 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:30,293 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,293 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,293 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,295 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,295 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,295 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:30,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:30,295 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:30,312 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,312 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,312 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:30,312 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,313 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,313 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,315 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,315 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,315 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:30,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:30,315 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:30,332 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,333 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,333 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:30,333 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,333 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,333 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,335 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,335 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,336 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:30,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:30,336 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:30,355 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,356 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,356 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:30,356 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,356 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,356 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,359 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,359 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,359 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:30,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:30,359 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:30,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,382 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,382 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:30,382 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,382 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,382 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,384 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,384 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,384 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:30,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:30,385 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,401 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,402 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,402 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:30,402 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,402 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,402 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,404 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,404 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,404 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:30,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:30,404 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:30,422 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,423 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,423 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:30,423 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:30,423 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:30,423 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,423 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:30,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,423 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,423 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,426 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,426 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,426 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:30,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:30,426 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:30,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,444 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,445 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:30,445 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,447 - INFO - number of orbitals:  108
+2024-12-09 10:29:30,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,448 - INFO - moving on ...
+2024-12-09 10:29:30,448 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:30,448 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:30,448 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:30,448 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,448 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:30,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,450 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,450 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,450 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:30,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:30,450 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:30,467 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,467 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,468 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:30,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:30,468 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,468 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:30,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,469 - INFO - number of orbitals:  135
+2024-12-09 10:29:30,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,469 - INFO - moving on ...
+2024-12-09 10:29:30,469 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:30,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,471 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,471 - INFO - moving on ...
+2024-12-09 10:29:30,471 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:30,471 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:30,471 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:30,471 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,471 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:30,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,473 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,473 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,473 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:30,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:30,473 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:30,497 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,497 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,498 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:30,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:30,498 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,498 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:30,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,500 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,500 - INFO - moving on ...
+2024-12-09 10:29:30,500 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:30,500 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:30,500 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:30,501 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,501 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:30,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,503 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,503 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,503 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:30,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:30,503 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:30,524 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,525 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,525 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:30,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:30,525 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,525 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:30,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,527 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,527 - INFO - moving on ...
+2024-12-09 10:29:30,527 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:30,527 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:30,527 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:30,527 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,527 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:30,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,528 - INFO - number of orbitals:  76
+2024-12-09 10:29:30,528 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,528 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,528 - INFO - moving on ...
+2024-12-09 10:29:30,529 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:30,529 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:30,529 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:30,529 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,529 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:30,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,530 - INFO - number of orbitals:  76
+2024-12-09 10:29:30,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,530 - INFO - moving on ...
+2024-12-09 10:29:30,530 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:30,530 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:30,530 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:30,530 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,530 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:30,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,532 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,532 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,532 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:30,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:30,532 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:30,549 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,549 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,550 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:30,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:30,550 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,550 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:30,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,551 - INFO - number of orbitals:  118
+2024-12-09 10:29:30,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,552 - INFO - moving on ...
+2024-12-09 10:29:30,552 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:30,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,553 - INFO - number of orbitals:  68
+2024-12-09 10:29:30,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,553 - INFO - moving on ...
+2024-12-09 10:29:30,553 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:30,553 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:30,553 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:30,553 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,553 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:30,554 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,554 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,554 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,556 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,556 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,556 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:30,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:30,556 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,573 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,573 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,573 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:30,573 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,574 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,574 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,576 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,576 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,576 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:30,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:30,576 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:30,592 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,593 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,593 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:30,593 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,593 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,593 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,595 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,595 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,595 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:30,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:30,595 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:30,612 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,612 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,612 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:30,612 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,612 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,612 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,614 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,614 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,614 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:30,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:30,614 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:30,630 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,631 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,631 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:30,631 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,631 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,631 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,633 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,633 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,633 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:30,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:30,633 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:30,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,649 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,649 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:30,649 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,650 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,650 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,651 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,652 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,652 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:30,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:30,652 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:30,668 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,668 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,668 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:30,668 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,669 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,669 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,671 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,671 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,671 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:30,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:30,671 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:30,687 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,687 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,688 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:30,688 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,688 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,688 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,690 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,690 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,690 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:30,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:30,690 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:30,706 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,706 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,706 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:30,707 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:30,707 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:30,707 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,707 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:30,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,708 - INFO - number of orbitals:  76
+2024-12-09 10:29:30,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,708 - INFO - moving on ...
+2024-12-09 10:29:30,708 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:30,708 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:30,708 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:30,708 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,708 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:30,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,710 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,710 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,710 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:30,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:30,710 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:30,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,726 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,726 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:30,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:30,726 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,726 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:30,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,727 - INFO - number of orbitals:  76
+2024-12-09 10:29:30,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,728 - INFO - moving on ...
+2024-12-09 10:29:30,728 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:30,728 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:30,728 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:30,728 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,728 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:30,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,729 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,729 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:30,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:30,729 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:30,746 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,747 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,747 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:30,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:30,747 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,747 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:30,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,749 - INFO - number of orbitals:  119
+2024-12-09 10:29:30,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,749 - INFO - moving on ...
+2024-12-09 10:29:30,749 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:30,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,750 - INFO - number of orbitals:  62
+2024-12-09 10:29:30,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,750 - INFO - moving on ...
+2024-12-09 10:29:30,750 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:30,751 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:30,751 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:30,751 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,751 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:30,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,752 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,752 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,752 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:30,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:30,752 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:30,769 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,769 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,769 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:30,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:30,769 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,769 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:30,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,771 - INFO - number of orbitals:  135
+2024-12-09 10:29:30,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,771 - INFO - moving on ...
+2024-12-09 10:29:30,771 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:30,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,772 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,772 - INFO - moving on ...
+2024-12-09 10:29:30,772 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:30,772 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:30,772 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:30,773 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,773 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:30,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,774 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,774 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,774 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:30,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:30,774 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:30,791 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,791 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,791 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:30,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:30,791 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,791 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:30,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,793 - INFO - number of orbitals:  118
+2024-12-09 10:29:30,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,793 - INFO - moving on ...
+2024-12-09 10:29:30,793 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:30,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,794 - INFO - number of orbitals:  68
+2024-12-09 10:29:30,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,794 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,794 - INFO - moving on ...
+2024-12-09 10:29:30,794 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:30,795 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:30,795 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:30,795 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,795 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:30,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,796 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,796 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,796 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:30,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:30,796 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:30,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,813 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,813 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:30,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:30,813 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,813 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:30,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,815 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,815 - INFO - moving on ...
+2024-12-09 10:29:30,815 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:30,815 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:30,815 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:30,815 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,815 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:30,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,817 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,817 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:30,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:30,817 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:30,834 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,834 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,834 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:30,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:30,834 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,834 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:30,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,836 - INFO - number of orbitals:  110
+2024-12-09 10:29:30,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,836 - INFO - moving on ...
+2024-12-09 10:29:30,836 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:30,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,837 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,837 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,837 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:30,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:30,837 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:30,854 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,854 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,854 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:30,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:30,854 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,854 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:30,854 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:30,854 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:30,854 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,854 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:30,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,856 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,856 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,856 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:30,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:30,856 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:30,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,873 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,873 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:30,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:30,873 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,873 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:30,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,874 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,875 - INFO - moving on ...
+2024-12-09 10:29:30,875 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:30,875 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:30,875 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:30,875 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,875 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:30,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,876 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,876 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,876 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:30,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:30,876 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:30,892 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,893 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,893 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:30,893 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:30,893 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:30,893 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,893 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:30,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,895 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,895 - INFO - number of supporting files: 2
+2024-12-09 10:29:30,895 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:30,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:30,895 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:30,911 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,911 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,911 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:30,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:30,912 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:30,912 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:30,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,913 - INFO - number of orbitals:  88
+2024-12-09 10:29:30,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:30,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:30,913 - INFO - moving on ...
+2024-12-09 10:29:30,913 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:30,913 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:30,913 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:30,913 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,913 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:30,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,915 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,915 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,915 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:30,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:30,915 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:30,931 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,931 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,931 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:30,932 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:30,932 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:30,932 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:30,932 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:30,932 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,932 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,932 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,934 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,934 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,934 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:30,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:30,934 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:30,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,951 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,951 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:30,951 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,953 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,953 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,953 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:30,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:30,954 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:30,970 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,970 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,970 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:30,970 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,970 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,971 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,972 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,973 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:30,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:30,973 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:30,989 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:30,989 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:30,989 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:30,989 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:30,989 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:30,989 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:30,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:30,991 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:30,991 - INFO - number of supporting files: 1
+2024-12-09 10:29:30,991 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:30,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:30,991 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:31,007 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,008 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,008 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:31,008 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:31,008 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:31,008 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,008 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:31,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,010 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,010 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,010 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:31,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:31,010 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,026 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,026 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,026 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:31,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:31,027 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,027 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:31,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,028 - INFO - number of orbitals:  85
+2024-12-09 10:29:31,028 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,028 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,028 - INFO - moving on ...
+2024-12-09 10:29:31,028 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:31,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,030 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,030 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,030 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:31,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:31,030 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:31,046 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,046 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,046 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:31,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:31,046 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,046 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:31,047 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:31,047 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:31,047 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,047 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:31,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,048 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,048 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,048 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:31,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:31,048 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:31,064 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,065 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,065 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:31,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:31,065 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,065 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:31,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,066 - INFO - number of orbitals:  110
+2024-12-09 10:29:31,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,066 - INFO - moving on ...
+2024-12-09 10:29:31,067 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:31,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,068 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,068 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:31,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:31,068 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,084 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,084 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:31,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:31,085 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,085 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:31,085 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:31,085 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:31,085 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,085 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:31,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,086 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,087 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:31,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:31,087 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:31,103 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,103 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,103 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:31,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:31,103 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,103 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:31,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,105 - INFO - number of orbitals:  85
+2024-12-09 10:29:31,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,105 - INFO - moving on ...
+2024-12-09 10:29:31,105 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:31,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,106 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,106 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,106 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:31,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:31,106 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:31,123 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,123 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,123 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:31,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:31,123 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,123 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:31,124 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:31,124 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:31,124 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,124 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:31,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,125 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,125 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,125 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:31,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:31,125 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:31,141 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,142 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,142 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:31,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:31,142 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,142 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:31,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,143 - INFO - number of orbitals:  88
+2024-12-09 10:29:31,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,144 - INFO - moving on ...
+2024-12-09 10:29:31,144 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:31,144 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:31,144 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:31,144 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,144 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:31,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,145 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,145 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,145 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:31,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:31,145 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:31,161 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,162 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,162 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:31,162 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:31,162 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:31,162 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,162 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:31,162 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,162 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,163 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,165 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,165 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:31,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:31,165 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:31,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,182 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,182 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:31,183 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,183 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,183 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,185 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,185 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,185 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:31,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:31,185 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,202 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,202 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,202 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:31,202 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,202 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,202 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,204 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,205 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:31,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:31,205 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:31,220 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,221 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,221 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:31,221 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,221 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,221 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,223 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,223 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:31,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:31,223 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,239 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,240 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,240 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:31,240 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,240 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,240 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,242 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,242 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:31,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:31,242 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:31,259 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,259 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,259 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:31,259 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,259 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,260 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,262 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,262 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,262 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:31,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:31,262 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:31,279 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,279 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,279 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:31,279 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,279 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,279 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,281 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,281 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,282 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:31,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:31,282 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:31,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,299 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,299 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:31,299 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,299 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,299 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,301 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,301 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,301 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:31,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:31,301 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:31,317 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,318 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,318 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:31,318 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,318 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,318 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,320 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,320 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,320 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:31,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:31,320 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:31,337 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,337 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,337 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:31,337 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:31,338 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:31,338 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,338 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:31,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,339 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,339 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,339 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:31,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:31,339 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:31,356 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,356 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,356 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:31,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:31,356 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,357 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:31,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,358 - INFO - number of orbitals:  88
+2024-12-09 10:29:31,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,358 - INFO - moving on ...
+2024-12-09 10:29:31,358 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:31,358 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:31,358 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:31,358 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,358 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:31,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,360 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,360 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,360 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:31,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:31,360 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:31,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,377 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,377 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:31,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:31,377 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,378 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:31,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,379 - INFO - number of orbitals:  72
+2024-12-09 10:29:31,379 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,379 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,379 - INFO - moving on ...
+2024-12-09 10:29:31,379 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:31,379 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:31,379 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:31,379 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,380 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:31,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,381 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,381 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,381 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:31,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:31,381 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:31,398 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,398 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,398 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:31,398 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:31,398 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:31,398 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,399 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:31,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,400 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,400 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,400 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:31,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:31,400 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:31,417 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,417 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,418 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:31,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:31,418 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,418 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:31,418 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:31,418 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:31,418 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,418 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:31,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,420 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,420 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,420 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:31,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:31,420 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:31,436 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,437 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,437 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:31,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:31,437 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,437 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:31,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,439 - INFO - number of orbitals:  116
+2024-12-09 10:29:31,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,439 - INFO - moving on ...
+2024-12-09 10:29:31,439 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:31,439 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:31,439 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:31,439 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,439 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:31,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,440 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,440 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,440 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:31,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:31,440 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,459 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,460 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,460 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:31,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:31,460 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,460 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:31,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,462 - INFO - number of orbitals:  79
+2024-12-09 10:29:31,462 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,462 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,462 - INFO - moving on ...
+2024-12-09 10:29:31,462 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:31,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,464 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,464 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,464 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:31,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:31,464 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:31,480 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,481 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,481 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:31,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:31,481 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,481 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:31,481 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:31,481 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:31,481 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,482 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:31,482 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,482 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,482 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,484 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,484 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,484 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:31,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:31,484 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:31,500 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,500 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,500 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:31,500 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,500 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,500 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,502 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,502 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:31,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:31,502 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:31,519 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,519 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,519 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:31,519 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,520 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,520 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,521 - INFO - number of orbitals:  68
+2024-12-09 10:29:31,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,522 - INFO - moving on ...
+2024-12-09 10:29:31,522 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:31,522 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,522 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,522 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,524 - INFO - number of orbitals:  76
+2024-12-09 10:29:31,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,524 - INFO - moving on ...
+2024-12-09 10:29:31,524 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:31,524 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,524 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,524 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,526 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,526 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:31,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:31,526 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:31,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,543 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,543 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:31,543 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,543 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,543 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,545 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,545 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,545 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:31,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:31,545 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:31,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,562 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,562 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:31,562 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,562 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,562 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,564 - INFO - number of orbitals:  68
+2024-12-09 10:29:31,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,564 - INFO - moving on ...
+2024-12-09 10:29:31,564 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:31,564 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,564 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,564 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,566 - INFO - number of orbitals:  76
+2024-12-09 10:29:31,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,566 - INFO - moving on ...
+2024-12-09 10:29:31,566 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:31,566 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,566 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,566 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,568 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,568 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,568 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:31,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:31,568 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:31,585 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,585 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,585 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:31,585 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,585 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,585 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,587 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,587 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,587 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:31,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:31,587 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,604 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,604 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,604 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:31,605 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,605 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,605 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,607 - INFO - number of orbitals:  68
+2024-12-09 10:29:31,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,607 - INFO - moving on ...
+2024-12-09 10:29:31,607 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:31,607 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,607 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,607 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,609 - INFO - number of orbitals:  76
+2024-12-09 10:29:31,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,609 - INFO - moving on ...
+2024-12-09 10:29:31,609 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:31,609 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:31,609 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:31,609 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,609 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:31,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,610 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,610 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,611 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:31,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:31,611 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:31,627 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,628 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,628 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:31,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:31,628 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,628 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:31,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,629 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,629 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,630 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:31,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:31,630 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:31,646 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,646 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,647 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:31,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:31,647 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,647 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:31,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,648 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,648 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:31,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:31,648 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:31,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,665 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,665 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:31,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:31,665 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,665 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:31,665 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:31,665 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:31,665 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,665 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:31,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,667 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,667 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,667 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:31,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:31,667 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:31,683 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,684 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,684 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:31,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:31,684 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,684 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:31,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,685 - INFO - number of orbitals:  110
+2024-12-09 10:29:31,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,686 - INFO - moving on ...
+2024-12-09 10:29:31,686 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:31,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,687 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,687 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,687 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:31,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:31,687 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:31,703 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,704 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,704 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:31,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:31,704 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,704 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:31,704 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:31,704 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:31,704 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,704 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:31,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,706 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,706 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,706 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:31,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:31,706 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:31,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,724 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,724 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:31,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:31,724 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,724 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:31,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,726 - INFO - number of orbitals:  110
+2024-12-09 10:29:31,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,726 - INFO - moving on ...
+2024-12-09 10:29:31,726 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:31,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,727 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,727 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,727 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:31,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:31,727 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:31,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,744 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,744 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:31,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:31,744 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,744 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:31,745 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:31,745 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:31,745 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,745 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:31,745 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,745 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,745 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,747 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,747 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,747 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:31,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:31,747 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:31,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,764 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,764 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:31,764 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,765 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,765 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,767 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,767 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,767 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:31,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:31,767 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,784 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,784 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:31,784 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,784 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,784 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,786 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,786 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,786 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:31,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:31,786 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:31,803 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,803 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,803 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:31,803 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,803 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,803 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,805 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,805 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,805 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:31,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:31,806 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:31,821 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,822 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,822 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:31,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,824 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,824 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,824 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:31,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:31,824 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:31,840 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,841 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,841 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:31,841 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,841 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,841 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,843 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,843 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,843 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:31,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:31,843 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:31,860 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,860 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,860 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:31,861 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,861 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,861 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,863 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,863 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,863 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:31,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:31,863 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,879 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,880 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,880 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:31,880 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,880 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,880 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,882 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,882 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,882 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:31,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:31,882 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:31,898 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,899 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,899 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:31,899 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:31,899 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:31,899 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:31,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,901 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,901 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,901 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:31,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:31,902 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:31,918 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,918 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,919 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:31,919 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:31,919 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:31,919 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,919 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:31,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,921 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,921 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,921 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:31,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:31,921 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:31,937 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,938 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,938 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:31,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:31,938 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,938 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:31,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,939 - INFO - number of orbitals:  88
+2024-12-09 10:29:31,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,939 - INFO - moving on ...
+2024-12-09 10:29:31,940 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:31,940 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:31,940 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:31,940 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,940 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:31,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,941 - INFO - number of orbitals:  76
+2024-12-09 10:29:31,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,941 - INFO - moving on ...
+2024-12-09 10:29:31,941 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:31,941 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:31,941 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:31,941 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,941 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:31,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,943 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,943 - INFO - number of supporting files: 1
+2024-12-09 10:29:31,943 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:31,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:31,943 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:31,959 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,959 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,959 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:31,959 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:31,959 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:31,959 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,959 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:31,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,961 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,961 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,961 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:31,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:31,961 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:31,977 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,977 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,977 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:31,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:31,977 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,977 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:31,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,979 - INFO - number of orbitals:  74
+2024-12-09 10:29:31,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,979 - INFO - moving on ...
+2024-12-09 10:29:31,979 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:31,979 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:31,979 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:31,979 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,979 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:31,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,980 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:31,981 - INFO - number of supporting files: 2
+2024-12-09 10:29:31,981 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:31,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:31,981 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:31,997 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:31,997 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:31,997 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:31,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:31,997 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:31,997 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:31,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:31,998 - INFO - number of orbitals:  90
+2024-12-09 10:29:31,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:31,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:31,999 - INFO - moving on ...
+2024-12-09 10:29:31,999 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:31,999 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:31,999 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:31,999 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:31,999 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:32,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,000 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,000 - INFO - moving on ...
+2024-12-09 10:29:32,000 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:32,000 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:32,001 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:32,001 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,001 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:32,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,002 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,002 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,002 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:32,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:32,002 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:32,018 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,019 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,019 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:32,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:32,019 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,019 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:32,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,021 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,021 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,021 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,021 - INFO - moving on ...
+2024-12-09 10:29:32,021 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:32,021 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:32,021 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:32,021 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,021 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:32,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,022 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,023 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,023 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:32,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:32,023 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:32,039 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,039 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,039 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:32,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:32,040 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,040 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:32,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,041 - INFO - number of orbitals:  106
+2024-12-09 10:29:32,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,041 - INFO - moving on ...
+2024-12-09 10:29:32,041 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:32,041 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:32,041 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:32,041 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,041 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:32,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,043 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,043 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,043 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:32,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:32,043 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:32,059 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,060 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,060 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:32,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:32,060 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,060 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:32,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,061 - INFO - number of orbitals:  118
+2024-12-09 10:29:32,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,061 - INFO - moving on ...
+2024-12-09 10:29:32,061 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:32,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,063 - INFO - number of orbitals:  68
+2024-12-09 10:29:32,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,063 - INFO - moving on ...
+2024-12-09 10:29:32,063 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:32,063 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:32,063 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:32,063 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,063 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:32,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,064 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,064 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:32,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:32,064 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:32,081 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,081 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,081 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:32,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:32,081 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,081 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:32,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,083 - INFO - number of orbitals:  114
+2024-12-09 10:29:32,083 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,083 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,083 - INFO - moving on ...
+2024-12-09 10:29:32,083 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:32,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,084 - INFO - number of orbitals:  64
+2024-12-09 10:29:32,085 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,085 - INFO - moving on ...
+2024-12-09 10:29:32,085 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:32,085 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:32,085 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:32,085 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,085 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:32,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,086 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,086 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:32,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:32,086 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:32,103 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,103 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,103 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:32,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:32,103 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,103 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:32,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,105 - INFO - number of orbitals:  115
+2024-12-09 10:29:32,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,105 - INFO - moving on ...
+2024-12-09 10:29:32,105 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:32,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,106 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,106 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,106 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:32,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:32,106 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:32,122 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,122 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,123 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:32,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:32,123 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,123 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:32,123 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:32,123 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:32,123 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,123 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:32,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,124 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,125 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,125 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:32,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:32,125 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:32,141 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,141 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,141 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:32,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:32,141 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,141 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:32,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,143 - INFO - number of orbitals:  78
+2024-12-09 10:29:32,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,143 - INFO - moving on ...
+2024-12-09 10:29:32,143 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:32,143 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:32,143 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:32,143 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,143 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:32,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,145 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,145 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,145 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:32,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:32,145 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:32,161 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,161 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,161 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:32,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:32,162 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,162 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:32,162 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:32,162 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:32,162 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,162 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:32,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,163 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,163 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,163 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:32,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:32,164 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:32,180 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,181 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,181 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:32,181 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:32,181 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:32,181 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,181 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:32,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,182 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,183 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,183 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:32,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:32,183 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:32,199 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,199 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,199 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:32,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:32,200 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,200 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:32,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,201 - INFO - number of orbitals:  86
+2024-12-09 10:29:32,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,201 - INFO - moving on ...
+2024-12-09 10:29:32,201 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:32,201 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:32,201 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:32,201 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,202 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:32,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,203 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,203 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,203 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:32,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:32,203 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:32,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,220 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,220 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:32,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:32,220 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,220 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:32,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,221 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,221 - INFO - moving on ...
+2024-12-09 10:29:32,221 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:32,222 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:32,222 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:32,222 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,222 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:32,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,223 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,223 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:32,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:32,223 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:32,239 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,240 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,240 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:32,240 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:32,240 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:32,240 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,240 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:32,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,242 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,242 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:32,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:32,242 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:32,258 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,259 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,259 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:32,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:32,259 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,259 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:32,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,261 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,261 - INFO - moving on ...
+2024-12-09 10:29:32,261 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:32,261 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:32,261 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:32,261 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,261 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:32,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,262 - INFO - number of orbitals:  76
+2024-12-09 10:29:32,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,262 - INFO - moving on ...
+2024-12-09 10:29:32,262 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:32,263 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:32,263 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:32,263 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,263 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:32,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,264 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,264 - INFO - moving on ...
+2024-12-09 10:29:32,264 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:32,264 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:32,264 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:32,264 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,264 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:32,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,266 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,266 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:32,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:32,266 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:32,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,282 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,282 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:32,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:32,283 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,283 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:32,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,284 - INFO - number of orbitals:  116
+2024-12-09 10:29:32,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,284 - INFO - moving on ...
+2024-12-09 10:29:32,284 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:32,284 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:32,284 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:32,284 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,284 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:32,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,286 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,286 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,286 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:32,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:32,286 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:32,302 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,303 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,303 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:32,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:32,303 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,303 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:32,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,305 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,305 - INFO - moving on ...
+2024-12-09 10:29:32,305 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:32,305 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:32,305 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:32,305 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,305 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:32,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,306 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,306 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,306 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:32,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:32,306 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:32,323 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,323 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,323 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:32,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:32,323 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,323 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:32,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,325 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,325 - INFO - moving on ...
+2024-12-09 10:29:32,325 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:32,325 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:32,325 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:32,325 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,325 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:32,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,327 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,327 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,327 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:32,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:32,327 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:32,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,343 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,343 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:32,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:32,344 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,344 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:32,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,345 - INFO - number of orbitals:  110
+2024-12-09 10:29:32,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,345 - INFO - moving on ...
+2024-12-09 10:29:32,345 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:32,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,347 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,347 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,347 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:32,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:32,347 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:32,363 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,363 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,363 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:32,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:32,363 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,363 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:32,364 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:32,364 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:32,364 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,364 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:32,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,365 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,365 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,365 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:32,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:32,365 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:32,382 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,382 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,382 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:32,383 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:32,383 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,383 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:32,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,384 - INFO - number of orbitals:  135
+2024-12-09 10:29:32,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,384 - INFO - moving on ...
+2024-12-09 10:29:32,384 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:32,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,386 - INFO - number of orbitals:  88
+2024-12-09 10:29:32,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,386 - INFO - moving on ...
+2024-12-09 10:29:32,386 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:32,386 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:32,386 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:32,386 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,386 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:32,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,387 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,387 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,387 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:32,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:32,387 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:32,404 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,404 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,404 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:32,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:32,404 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,404 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:32,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,406 - INFO - number of orbitals:  119
+2024-12-09 10:29:32,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,406 - INFO - moving on ...
+2024-12-09 10:29:32,406 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:32,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,407 - INFO - number of orbitals:  62
+2024-12-09 10:29:32,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,408 - INFO - moving on ...
+2024-12-09 10:29:32,408 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:32,408 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:32,408 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:32,408 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,408 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:32,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,409 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,409 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:32,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:32,409 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:32,426 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,427 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,427 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:32,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:32,427 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,427 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:32,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,428 - INFO - number of orbitals:  64
+2024-12-09 10:29:32,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,428 - INFO - moving on ...
+2024-12-09 10:29:32,428 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:32,428 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:32,428 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:32,428 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,429 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:32,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,430 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,430 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:32,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:32,430 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:32,446 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,446 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,446 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:32,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:32,446 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,446 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:32,447 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:32,447 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:32,447 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,447 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:32,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,448 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,448 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,448 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:32,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:32,448 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:32,465 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,465 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,465 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:32,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:32,466 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,466 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:32,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,467 - INFO - number of orbitals:  89
+2024-12-09 10:29:32,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,467 - INFO - moving on ...
+2024-12-09 10:29:32,467 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:32,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,468 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,468 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,468 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:32,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:32,469 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:32,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,485 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,485 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:32,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:32,485 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,485 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:32,486 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:32,486 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:32,486 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,486 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:32,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,487 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,487 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,487 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:32,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:32,487 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:32,503 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,504 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,504 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:32,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:32,504 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,504 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:32,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,505 - INFO - number of orbitals:  94
+2024-12-09 10:29:32,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,506 - INFO - moving on ...
+2024-12-09 10:29:32,506 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:32,506 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:32,506 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:32,506 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,506 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:32,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,507 - INFO - number of orbitals:  70
+2024-12-09 10:29:32,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,507 - INFO - moving on ...
+2024-12-09 10:29:32,507 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:32,507 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:32,507 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:32,507 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,507 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:32,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,509 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,509 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,509 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:32,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:32,509 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:32,527 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,527 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,528 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:32,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:32,528 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,528 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:32,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,531 - INFO - number of orbitals:  79
+2024-12-09 10:29:32,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,531 - INFO - moving on ...
+2024-12-09 10:29:32,531 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:32,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,534 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,534 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:32,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:32,534 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:32,552 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,553 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,553 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:32,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:32,553 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,553 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:32,553 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:32,553 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:32,553 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,553 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:32,553 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,553 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,553 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,555 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,555 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,555 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:32,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:32,555 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:32,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,571 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,572 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:32,572 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,572 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,572 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,574 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,574 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,574 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:32,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:32,574 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:32,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,590 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,590 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:32,590 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,590 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,590 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,592 - INFO - number of orbitals:  90
+2024-12-09 10:29:32,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,592 - INFO - moving on ...
+2024-12-09 10:29:32,592 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:32,592 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,593 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,593 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,594 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,594 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,595 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:32,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:32,595 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:32,611 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,612 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,612 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:32,612 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,612 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,612 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,614 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,614 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,614 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:32,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:32,614 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:32,631 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,631 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,631 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:32,631 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,632 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,632 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,633 - INFO - number of orbitals:  90
+2024-12-09 10:29:32,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,634 - INFO - moving on ...
+2024-12-09 10:29:32,634 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:32,634 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:32,634 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:32,634 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,634 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:32,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,635 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:32,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:32,635 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:32,652 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,653 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,653 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:32,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:32,653 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,653 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:32,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,654 - INFO - number of orbitals:  115
+2024-12-09 10:29:32,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,655 - INFO - moving on ...
+2024-12-09 10:29:32,655 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:32,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,656 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,656 - INFO - number of supporting files: 2
+2024-12-09 10:29:32,656 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:32,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:32,656 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:32,674 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,675 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,675 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:32,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:32,675 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:32,675 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:32,675 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:32,675 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:32,675 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,675 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:32,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,677 - INFO - number of orbitals:  76
+2024-12-09 10:29:32,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,677 - INFO - moving on ...
+2024-12-09 10:29:32,677 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:32,677 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:32,677 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:32,677 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,677 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:32,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,679 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,679 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,679 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:32,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:32,679 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:32,696 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,697 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,697 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:32,697 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:32,697 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:32,697 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,697 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:32,697 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,698 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,698 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,700 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,700 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,700 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:32,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:32,700 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:32,717 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,718 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,718 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:32,718 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,718 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,718 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,720 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,720 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,720 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:32,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:32,720 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:32,735 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,736 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,736 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:32,736 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,736 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,736 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,738 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,738 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,738 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:32,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:32,738 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:32,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,754 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,754 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:32,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,757 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,757 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:32,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:32,757 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:32,773 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,773 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,773 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:32,773 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,773 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,773 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,775 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,775 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,775 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:32,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:32,776 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:32,792 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,792 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,792 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:32,792 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,792 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,792 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,794 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,794 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,794 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:32,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:32,794 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:32,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,811 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,811 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:32,811 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:32,811 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:32,811 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,811 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:32,811 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,811 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,811 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,813 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,813 - INFO - moving on ...
+2024-12-09 10:29:32,813 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:32,813 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,813 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,815 - INFO - number of orbitals:  70
+2024-12-09 10:29:32,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,815 - INFO - moving on ...
+2024-12-09 10:29:32,815 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:32,815 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,815 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,816 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,817 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,817 - INFO - moving on ...
+2024-12-09 10:29:32,817 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:32,817 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:32,817 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:32,817 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,817 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:32,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,819 - INFO - number of orbitals:  76
+2024-12-09 10:29:32,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,819 - INFO - moving on ...
+2024-12-09 10:29:32,819 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:32,819 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:32,820 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:32,820 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:32,820 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:32,820 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,820 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,820 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,821 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,822 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,822 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:32,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:32,822 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:32,838 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,838 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,838 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:32,838 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,838 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,838 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,840 - INFO - number of orbitals:  70
+2024-12-09 10:29:32,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,840 - INFO - moving on ...
+2024-12-09 10:29:32,840 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:32,840 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,840 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,840 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,842 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,842 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,842 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:32,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:32,842 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:32,859 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,860 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,860 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:32,860 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,860 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,860 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,862 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,862 - INFO - moving on ...
+2024-12-09 10:29:32,862 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:32,862 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,862 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,862 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,864 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,864 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,864 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:32,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:32,864 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:32,881 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,882 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,882 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:32,882 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,882 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,882 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,884 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,884 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,884 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:32,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:32,884 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:32,901 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,901 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,901 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:32,901 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,902 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,902 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,904 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,904 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,904 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:32,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:32,904 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:32,920 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,920 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,920 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:32,920 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,921 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,921 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,922 - INFO - number of orbitals:  69
+2024-12-09 10:29:32,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:32,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:32,923 - INFO - moving on ...
+2024-12-09 10:29:32,923 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:32,923 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,923 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,923 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,925 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,925 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,925 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:32,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:32,925 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:32,942 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,942 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,942 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:32,942 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,942 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,942 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,945 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,945 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:32,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:32,945 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:32,961 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,961 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,962 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:32,962 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,962 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,962 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,964 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,964 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,964 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:32,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:32,964 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:32,980 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:32,981 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:32,981 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:32,981 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:32,981 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:32,981 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:32,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:32,983 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:32,983 - INFO - number of supporting files: 1
+2024-12-09 10:29:32,983 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:32,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:32,983 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:32,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,000 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,000 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:33,000 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,000 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,000 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,002 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,002 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,002 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:33,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:33,002 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:33,018 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,019 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,019 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:33,019 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,019 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,019 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,021 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,021 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,021 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:33,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:33,021 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:33,038 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,038 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,038 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:33,038 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,038 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,038 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,041 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,041 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,041 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:33,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:33,041 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:33,057 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,058 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,058 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:33,058 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,058 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,058 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,060 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,060 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:33,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:33,060 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:33,076 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,076 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,076 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:33,077 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:33,077 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:33,077 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,077 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:33,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,078 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,078 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,078 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:33,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:33,078 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:33,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,095 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,095 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:33,095 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:33,095 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,095 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:33,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,097 - INFO - number of orbitals:  90
+2024-12-09 10:29:33,097 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
+2024-12-09 10:29:33,097 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,097 - INFO - moving on ...
+2024-12-09 10:29:33,097 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:33,097 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:33,097 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:33,097 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,097 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:33,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,098 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,098 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:33,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:33,099 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:33,114 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,115 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,115 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:33,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:33,115 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,115 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:33,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,117 - INFO - number of orbitals:  118
+2024-12-09 10:29:33,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,117 - INFO - moving on ...
+2024-12-09 10:29:33,117 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:33,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,118 - INFO - number of orbitals:  68
+2024-12-09 10:29:33,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,118 - INFO - moving on ...
+2024-12-09 10:29:33,118 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:33,118 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:33,118 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:33,118 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,118 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:33,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,120 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,120 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,120 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:33,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:33,120 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:33,136 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,137 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,137 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:33,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:33,137 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,137 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:33,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,138 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,139 - INFO - moving on ...
+2024-12-09 10:29:33,139 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:33,139 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:33,139 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:33,139 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,139 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:33,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,140 - INFO - number of orbitals:  66
+2024-12-09 10:29:33,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,140 - INFO - moving on ...
+2024-12-09 10:29:33,140 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:33,141 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:33,141 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:33,141 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,141 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:33,141 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,141 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,141 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,143 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,143 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,143 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:33,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:33,143 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:33,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,160 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,160 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:33,160 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,160 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,160 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,162 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,162 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,162 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:33,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:33,162 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:33,179 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,179 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,179 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:33,179 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,179 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,179 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,182 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,182 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:33,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:33,182 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,199 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,199 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:33,199 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,199 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,199 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,201 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,201 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,201 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:33,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:33,201 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,218 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,218 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,218 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:33,218 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,219 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,219 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,221 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,221 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,221 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:33,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:33,221 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:33,238 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,238 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,238 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:33,238 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,238 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,238 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,240 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,240 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:33,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:33,240 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:33,259 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,259 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,259 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:33,259 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,259 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,259 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,261 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,261 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,261 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:33,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:33,262 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:33,278 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,279 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,279 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:33,279 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,279 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,279 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,281 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,281 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,281 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:33,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:33,282 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:33,298 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,299 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,299 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:33,299 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,299 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,299 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,301 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,301 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,301 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:33,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:33,301 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:33,318 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,319 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,319 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:33,319 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,319 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,319 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,321 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,321 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,321 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:33,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:33,321 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:33,337 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,338 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,338 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:33,338 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,338 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,338 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,340 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,340 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,340 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:33,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:33,340 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,357 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,357 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:33,357 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,358 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,358 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,360 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,360 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,360 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:33,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:33,360 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:33,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,378 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,378 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:33,378 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:33,378 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:33,378 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,378 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:33,378 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,378 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,378 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,380 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,380 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,380 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:33,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:33,380 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:33,397 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,397 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,397 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:33,397 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,398 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,398 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,399 - INFO - number of orbitals:  108
+2024-12-09 10:29:33,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,400 - INFO - moving on ...
+2024-12-09 10:29:33,400 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:33,400 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:33,400 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:33,400 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,400 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:33,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,401 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,401 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,401 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:33,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:33,402 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:33,419 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,419 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,419 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:33,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:33,419 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,420 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:33,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,421 - INFO - number of orbitals:  135
+2024-12-09 10:29:33,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,421 - INFO - moving on ...
+2024-12-09 10:29:33,421 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:33,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,423 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,423 - INFO - moving on ...
+2024-12-09 10:29:33,423 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:33,423 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:33,423 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:33,423 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,423 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:33,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,424 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,424 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,424 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:33,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:33,425 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:33,441 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,441 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,441 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:33,441 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:33,441 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,441 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:33,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,443 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,443 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,443 - INFO - moving on ...
+2024-12-09 10:29:33,443 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:33,443 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:33,443 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:33,443 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,443 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:33,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,444 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,445 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,445 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:33,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:33,445 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:33,461 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,461 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,461 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:33,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:33,462 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,462 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:33,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,463 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,463 - INFO - moving on ...
+2024-12-09 10:29:33,463 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:33,463 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:33,464 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:33,464 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,464 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:33,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,465 - INFO - number of orbitals:  76
+2024-12-09 10:29:33,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,465 - INFO - moving on ...
+2024-12-09 10:29:33,465 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:33,465 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:33,465 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:33,465 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,465 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:33,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,467 - INFO - number of orbitals:  76
+2024-12-09 10:29:33,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,467 - INFO - moving on ...
+2024-12-09 10:29:33,467 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:33,467 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:33,467 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:33,467 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,467 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:33,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,469 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,469 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:33,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:33,469 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:33,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,486 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,486 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:33,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:33,486 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,486 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:33,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,487 - INFO - number of orbitals:  118
+2024-12-09 10:29:33,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,488 - INFO - moving on ...
+2024-12-09 10:29:33,488 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:33,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,489 - INFO - number of orbitals:  68
+2024-12-09 10:29:33,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,489 - INFO - moving on ...
+2024-12-09 10:29:33,489 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:33,489 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:33,489 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:33,489 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,489 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:33,489 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,490 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,490 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,491 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,491 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,491 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:33,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:33,492 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,515 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,515 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,515 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:33,515 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,515 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,515 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,518 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,518 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:33,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:33,518 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:33,534 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,535 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,535 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:33,535 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,535 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,535 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,537 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,537 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,537 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:33,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:33,537 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:33,554 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,554 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,554 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:33,554 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,554 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,554 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,556 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,556 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,557 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:33,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:33,557 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:33,573 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,574 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,574 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:33,574 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,574 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,574 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,576 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,576 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,576 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:33,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:33,576 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:33,593 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,593 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,593 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:33,593 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,593 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,593 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,595 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,595 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,595 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:33,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:33,596 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:33,612 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,612 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,612 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:33,612 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,613 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,613 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,614 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,615 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,615 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:33,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:33,615 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:33,631 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,631 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,631 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:33,631 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,631 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,631 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,633 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,633 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,633 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:33,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:33,634 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:33,651 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,652 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,652 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:33,652 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:33,652 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:33,652 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,652 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:33,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,654 - INFO - number of orbitals:  76
+2024-12-09 10:29:33,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,654 - INFO - moving on ...
+2024-12-09 10:29:33,654 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:33,654 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:33,654 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:33,654 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,654 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:33,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,656 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,656 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,656 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:33,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:33,656 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:33,672 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,672 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,672 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:33,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:33,672 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,673 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:33,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,674 - INFO - number of orbitals:  76
+2024-12-09 10:29:33,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,674 - INFO - moving on ...
+2024-12-09 10:29:33,674 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:33,674 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:33,674 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:33,674 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,674 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:33,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,676 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,676 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,676 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:33,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:33,676 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:33,693 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,694 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,694 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:33,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:33,694 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,694 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:33,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,696 - INFO - number of orbitals:  119
+2024-12-09 10:29:33,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,696 - INFO - moving on ...
+2024-12-09 10:29:33,696 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:33,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,697 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,697 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,697 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:33,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:33,697 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:33,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,714 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,714 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:33,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:33,714 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,714 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:33,714 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:33,715 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:33,715 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,715 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:33,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,716 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,716 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,716 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:33,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:33,716 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:33,733 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,734 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,734 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:33,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:33,734 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,734 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:33,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,736 - INFO - number of orbitals:  135
+2024-12-09 10:29:33,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,736 - INFO - moving on ...
+2024-12-09 10:29:33,736 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:33,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,737 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,737 - INFO - moving on ...
+2024-12-09 10:29:33,737 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:33,737 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:33,737 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:33,737 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,737 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:33,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,739 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,739 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,739 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:33,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:33,739 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:33,755 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,756 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,756 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:33,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:33,756 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,756 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:33,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,758 - INFO - number of orbitals:  118
+2024-12-09 10:29:33,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,758 - INFO - moving on ...
+2024-12-09 10:29:33,758 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:33,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,759 - INFO - number of orbitals:  68
+2024-12-09 10:29:33,759 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,759 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,759 - INFO - moving on ...
+2024-12-09 10:29:33,759 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:33,759 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:33,759 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:33,759 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,759 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:33,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,761 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,761 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,761 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:33,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:33,761 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:33,778 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,779 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,779 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:33,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:33,779 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,779 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:33,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,780 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,780 - INFO - moving on ...
+2024-12-09 10:29:33,780 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:33,781 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:33,781 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:33,781 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,781 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:33,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,782 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,782 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,782 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:33,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:33,782 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:33,799 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,799 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,799 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:33,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:33,799 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,799 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:33,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,801 - INFO - number of orbitals:  110
+2024-12-09 10:29:33,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,801 - INFO - moving on ...
+2024-12-09 10:29:33,801 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:33,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,802 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,802 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,802 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:33,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:33,803 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:33,819 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,819 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,819 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:33,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:33,819 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,819 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:33,819 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:33,819 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:33,819 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,819 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:33,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,821 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,821 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,821 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:33,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:33,821 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:33,837 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,838 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,838 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:33,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:33,838 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,838 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:33,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,840 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,840 - INFO - moving on ...
+2024-12-09 10:29:33,840 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:33,840 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:33,840 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:33,840 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,840 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:33,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,841 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,841 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:33,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:33,841 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:33,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,858 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,858 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:33,858 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:33,858 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:33,858 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,858 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:33,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,859 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,859 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,859 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:33,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:33,860 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:33,875 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,876 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,876 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:33,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:33,876 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,876 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:33,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,877 - INFO - number of orbitals:  88
+2024-12-09 10:29:33,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,878 - INFO - moving on ...
+2024-12-09 10:29:33,878 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:33,878 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:33,878 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:33,878 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,878 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:33,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,879 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,879 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,879 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:33,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:33,879 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:33,895 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,896 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,896 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:33,896 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:33,896 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:33,896 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,896 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:33,896 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,896 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,896 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,898 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,898 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:33,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:33,898 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:33,915 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,915 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,915 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:33,915 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,915 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,916 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,918 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,918 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,918 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:33,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:33,918 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:33,934 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,934 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,934 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:33,934 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,935 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,935 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,936 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,937 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,937 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:33,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:33,937 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:33,952 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,953 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,953 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:33,953 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:33,953 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:33,953 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:33,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,955 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,955 - INFO - number of supporting files: 1
+2024-12-09 10:29:33,955 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:33,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:33,955 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:33,972 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,972 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,972 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:33,972 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:33,972 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:33,972 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:33,972 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:33,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,974 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,974 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,974 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:33,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:33,974 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:33,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:33,991 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:33,991 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:33,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:33,992 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:33,992 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:33,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,993 - INFO - number of orbitals:  85
+2024-12-09 10:29:33,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:33,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:33,993 - INFO - moving on ...
+2024-12-09 10:29:33,993 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:33,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:33,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:33,994 - INFO - number of supporting files: 2
+2024-12-09 10:29:33,994 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:33,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:33,995 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:34,011 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,011 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,011 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:34,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:34,011 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,011 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:34,012 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:34,012 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:34,012 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,012 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:34,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,013 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,013 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:34,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:34,013 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:34,029 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,030 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,030 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:34,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:34,030 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,030 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:34,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,031 - INFO - number of orbitals:  110
+2024-12-09 10:29:34,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,031 - INFO - moving on ...
+2024-12-09 10:29:34,031 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:34,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,033 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,033 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,033 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:34,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:34,033 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,049 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,049 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:34,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:34,049 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,049 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:34,049 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:34,049 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:34,049 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,049 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:34,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,051 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,051 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,051 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:34,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:34,051 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:34,068 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,068 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,068 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:34,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:34,068 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,068 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:34,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,070 - INFO - number of orbitals:  85
+2024-12-09 10:29:34,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,070 - INFO - moving on ...
+2024-12-09 10:29:34,070 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:34,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,071 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,071 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,071 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:34,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:34,072 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:34,089 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,089 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,089 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:34,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:34,089 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,089 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:34,090 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:34,090 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:34,090 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,090 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:34,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,091 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,091 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:34,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:34,091 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:34,109 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,109 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,109 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:34,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:34,109 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,109 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:34,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,111 - INFO - number of orbitals:  88
+2024-12-09 10:29:34,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,111 - INFO - moving on ...
+2024-12-09 10:29:34,111 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:34,111 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:34,111 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:34,111 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,111 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:34,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,112 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,112 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,112 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:34,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:34,113 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:34,129 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,129 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,129 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:34,130 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:34,130 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:34,130 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,130 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:34,130 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,130 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,130 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,132 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,132 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,132 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:34,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:34,132 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:34,148 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,148 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,148 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:34,149 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,149 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,149 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,151 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,151 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:34,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:34,151 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,168 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,168 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:34,168 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,168 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,168 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,170 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,170 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:34,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:34,170 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:34,186 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,186 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,186 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:34,187 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,187 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,187 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,189 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,189 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:34,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:34,189 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,205 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,205 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,205 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:34,205 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,205 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,205 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,207 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,207 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:34,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:34,207 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:34,224 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,225 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,225 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:34,225 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,225 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,225 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,227 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,227 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:34,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:34,227 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:34,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,244 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,244 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:34,244 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,244 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,244 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,246 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,246 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,246 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:34,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:34,246 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:34,263 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,263 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,263 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:34,263 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,264 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,264 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,266 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,266 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:34,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:34,266 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:34,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,283 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,283 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:34,283 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,283 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,283 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,285 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,285 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,285 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:34,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:34,285 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:34,301 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,302 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,302 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:34,302 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:34,302 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:34,302 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,302 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:34,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,303 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,303 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,303 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:34,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:34,304 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:34,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,320 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,320 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:34,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:34,320 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,320 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:34,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,321 - INFO - number of orbitals:  88
+2024-12-09 10:29:34,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,322 - INFO - moving on ...
+2024-12-09 10:29:34,322 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:34,322 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:34,322 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:34,322 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,322 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:34,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,323 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,323 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,323 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:34,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:34,323 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:34,339 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,340 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,340 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:34,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:34,340 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,340 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:34,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,342 - INFO - number of orbitals:  72
+2024-12-09 10:29:34,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,342 - INFO - moving on ...
+2024-12-09 10:29:34,342 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:34,342 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:34,342 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:34,342 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,342 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:34,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,343 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,343 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,344 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:34,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:34,344 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:34,362 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,362 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,362 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:34,362 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:34,362 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:34,362 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,363 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:34,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,364 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,364 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,364 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:34,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:34,364 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:34,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,382 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,382 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:34,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:34,382 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,382 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:34,382 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:34,382 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:34,382 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,382 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:34,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,384 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,384 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,384 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:34,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:34,384 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:34,400 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,401 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,401 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:34,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:34,401 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,401 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:34,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,403 - INFO - number of orbitals:  116
+2024-12-09 10:29:34,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,403 - INFO - moving on ...
+2024-12-09 10:29:34,403 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:34,403 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:34,403 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:34,403 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,403 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:34,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,404 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,404 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,404 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:34,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:34,405 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:34,421 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,422 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,422 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:34,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:34,422 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,422 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:34,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,424 - INFO - number of orbitals:  79
+2024-12-09 10:29:34,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,424 - INFO - moving on ...
+2024-12-09 10:29:34,424 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:34,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,425 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,425 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,425 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:34,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:34,426 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:34,443 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,444 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,444 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:34,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:34,444 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,444 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:34,444 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:34,444 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:34,444 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,444 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:34,444 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,447 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,447 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,447 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:34,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:34,447 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:34,463 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,464 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,464 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:34,464 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,464 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,464 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,466 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,466 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,466 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:34,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:34,466 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:34,482 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,483 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,483 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:34,483 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,483 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,483 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,485 - INFO - number of orbitals:  68
+2024-12-09 10:29:34,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,485 - INFO - moving on ...
+2024-12-09 10:29:34,485 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:34,485 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,485 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,485 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,487 - INFO - number of orbitals:  76
+2024-12-09 10:29:34,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,487 - INFO - moving on ...
+2024-12-09 10:29:34,487 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:34,487 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,487 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,487 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,489 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,489 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,489 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:34,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:34,489 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:34,506 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,507 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,507 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:34,507 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,507 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,507 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,509 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,509 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,509 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:34,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:34,509 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:34,525 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,525 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,525 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:34,525 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,526 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,526 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,527 - INFO - number of orbitals:  68
+2024-12-09 10:29:34,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,528 - INFO - moving on ...
+2024-12-09 10:29:34,528 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:34,528 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,528 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,528 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,529 - INFO - number of orbitals:  76
+2024-12-09 10:29:34,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,529 - INFO - moving on ...
+2024-12-09 10:29:34,529 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:34,530 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,530 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,530 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,531 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,531 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,531 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:34,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:34,531 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:34,548 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,548 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,548 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:34,548 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,548 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,548 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,550 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,550 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,550 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:34,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:34,551 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:34,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,567 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,567 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:34,568 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,568 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,568 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,570 - INFO - number of orbitals:  68
+2024-12-09 10:29:34,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,570 - INFO - moving on ...
+2024-12-09 10:29:34,570 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:34,570 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,570 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,570 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,572 - INFO - number of orbitals:  76
+2024-12-09 10:29:34,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,572 - INFO - moving on ...
+2024-12-09 10:29:34,572 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:34,572 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:34,572 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:34,572 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,572 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:34,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,574 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,574 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,574 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:34,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:34,574 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:34,590 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,591 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,591 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:34,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:34,591 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,591 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:34,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,592 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,592 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:34,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:34,592 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:34,608 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,609 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,609 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:34,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:34,609 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,609 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:34,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,611 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,611 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,611 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:34,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:34,611 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:34,627 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,627 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,627 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:34,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:34,628 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,628 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:34,628 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:34,628 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:34,628 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,628 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:34,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,629 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,629 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,629 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:34,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:34,630 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:34,646 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,647 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,647 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:34,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:34,647 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,647 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:34,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,648 - INFO - number of orbitals:  110
+2024-12-09 10:29:34,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,648 - INFO - moving on ...
+2024-12-09 10:29:34,648 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:34,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,650 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,650 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,650 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:34,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:34,650 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:34,666 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,666 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,666 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:34,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:34,666 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,666 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:34,666 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:34,666 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:34,667 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,667 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:34,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,668 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,668 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,668 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:34,668 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:34,668 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:34,684 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,685 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,685 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:34,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:34,685 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,685 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:34,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,686 - INFO - number of orbitals:  110
+2024-12-09 10:29:34,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,686 - INFO - moving on ...
+2024-12-09 10:29:34,686 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:34,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,687 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,687 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,688 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:34,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:34,688 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:34,703 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,704 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,704 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:34,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:34,704 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,704 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:34,704 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:34,704 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:34,704 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,704 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:34,704 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,705 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,705 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,707 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,707 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,707 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:34,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:34,707 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:34,723 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,723 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,723 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:34,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,725 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,725 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,725 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:34,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:34,725 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,742 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,742 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,742 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:34,743 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,743 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,743 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,745 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,745 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,745 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:34,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:34,745 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:34,768 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,768 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,769 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:34,769 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,769 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,769 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,771 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,771 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,772 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:34,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:34,772 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:34,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,794 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,794 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:34,794 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,795 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,797 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,797 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:34,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:34,797 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:34,814 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,814 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,814 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:34,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,816 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,816 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:34,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:34,816 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:34,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,833 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,833 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:34,833 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,836 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,836 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:34,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:34,836 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:34,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,853 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,853 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:34,853 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,855 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,855 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:34,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:34,855 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:34,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,872 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,872 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:34,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:34,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:34,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:34,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,875 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:34,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:34,875 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:34,894 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,894 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,894 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:34,895 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:34,895 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:34,895 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,895 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:34,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,897 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,897 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,897 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:34,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:34,897 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:34,919 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,920 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,920 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:34,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:34,920 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,920 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:34,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,923 - INFO - number of orbitals:  88
+2024-12-09 10:29:34,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,923 - INFO - moving on ...
+2024-12-09 10:29:34,923 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:34,923 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:34,923 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:34,923 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,923 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:34,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,925 - INFO - number of orbitals:  76
+2024-12-09 10:29:34,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,925 - INFO - moving on ...
+2024-12-09 10:29:34,926 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:34,926 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:34,926 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:34,926 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,926 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:34,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,928 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,928 - INFO - number of supporting files: 1
+2024-12-09 10:29:34,928 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:34,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:34,928 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:34,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,950 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,951 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:34,951 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:34,951 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:34,951 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,951 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:34,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,953 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,954 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,954 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:34,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:34,954 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:34,977 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:34,978 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:34,978 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:34,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:34,978 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:34,978 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:34,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,980 - INFO - number of orbitals:  74
+2024-12-09 10:29:34,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:34,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:34,981 - INFO - moving on ...
+2024-12-09 10:29:34,981 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:34,981 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:34,981 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:34,981 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:34,981 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:34,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:34,983 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:34,983 - INFO - number of supporting files: 2
+2024-12-09 10:29:34,983 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:34,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:34,983 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:35,007 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,008 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,008 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:35,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:35,008 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,008 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:35,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,010 - INFO - number of orbitals:  90
+2024-12-09 10:29:35,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,011 - INFO - moving on ...
+2024-12-09 10:29:35,011 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:35,011 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:35,011 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:35,011 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,011 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:35,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,013 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,013 - INFO - moving on ...
+2024-12-09 10:29:35,013 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:35,013 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:35,013 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:35,013 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,013 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:35,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,015 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,015 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,015 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:35,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:35,015 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:35,037 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,037 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,037 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:35,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:35,038 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,038 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:35,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,040 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,040 - INFO - moving on ...
+2024-12-09 10:29:35,040 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:35,040 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:35,040 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:35,040 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,040 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:35,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,042 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,042 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,043 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:35,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:35,043 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:35,064 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,064 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,065 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:35,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:35,065 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,065 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:35,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,066 - INFO - number of orbitals:  106
+2024-12-09 10:29:35,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,067 - INFO - moving on ...
+2024-12-09 10:29:35,067 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:35,067 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:35,067 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:35,067 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,067 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:35,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,068 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,068 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:35,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:35,068 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:35,086 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,086 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,086 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:35,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:35,086 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,086 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:35,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,088 - INFO - number of orbitals:  118
+2024-12-09 10:29:35,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,088 - INFO - moving on ...
+2024-12-09 10:29:35,088 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:35,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,090 - INFO - number of orbitals:  68
+2024-12-09 10:29:35,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,090 - INFO - moving on ...
+2024-12-09 10:29:35,090 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:35,090 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:35,090 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:35,090 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,090 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:35,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,091 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,091 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:35,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:35,092 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:35,109 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,109 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,109 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:35,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:35,110 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,110 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:35,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,111 - INFO - number of orbitals:  114
+2024-12-09 10:29:35,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,111 - INFO - moving on ...
+2024-12-09 10:29:35,111 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:35,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,113 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,113 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,113 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:35,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:35,113 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:35,130 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,131 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,131 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:35,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:35,131 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,131 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:35,131 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:35,131 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:35,131 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,131 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:35,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,133 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,133 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,133 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:35,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:35,133 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:35,150 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,150 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,150 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:35,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:35,150 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,150 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:35,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,152 - INFO - number of orbitals:  115
+2024-12-09 10:29:35,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,152 - INFO - moving on ...
+2024-12-09 10:29:35,152 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:35,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,153 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,153 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,153 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:35,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:35,153 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:35,170 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,170 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,170 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:35,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:35,170 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,170 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:35,171 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:35,171 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:35,171 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,171 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:35,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,172 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,172 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,172 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:35,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:35,172 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:35,188 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,189 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,189 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:35,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:35,189 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,189 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:35,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,191 - INFO - number of orbitals:  78
+2024-12-09 10:29:35,191 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,191 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,191 - INFO - moving on ...
+2024-12-09 10:29:35,191 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:35,191 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:35,191 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:35,191 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,191 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:35,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,192 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,192 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,192 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:35,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:35,192 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:35,209 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,209 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,209 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:35,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:35,209 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,209 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:35,209 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:35,210 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:35,210 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,210 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:35,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,211 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,211 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,211 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:35,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:35,211 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:35,228 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,228 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,228 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:35,228 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:35,228 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:35,228 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,229 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:35,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,230 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,230 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,230 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:35,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:35,230 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:35,247 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,247 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,247 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:35,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:35,247 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,247 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:35,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,249 - INFO - number of orbitals:  86
+2024-12-09 10:29:35,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,249 - INFO - moving on ...
+2024-12-09 10:29:35,249 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:35,249 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:35,249 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:35,249 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,249 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:35,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,250 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,251 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,251 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:35,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:35,251 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:35,268 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,268 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,268 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:35,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:35,268 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,268 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:35,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,270 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,270 - INFO - moving on ...
+2024-12-09 10:29:35,270 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:35,271 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:35,271 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:35,271 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,271 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:35,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,272 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,272 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:35,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:35,272 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:35,289 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,289 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,289 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:35,289 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:35,290 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:35,290 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,290 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:35,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,291 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,291 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,291 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:35,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:35,291 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:35,309 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,309 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,309 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:35,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:35,309 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,309 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:35,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,311 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,311 - INFO - moving on ...
+2024-12-09 10:29:35,311 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:35,311 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:35,311 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:35,311 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,311 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:35,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,313 - INFO - number of orbitals:  76
+2024-12-09 10:29:35,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,313 - INFO - moving on ...
+2024-12-09 10:29:35,313 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:35,313 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:35,313 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:35,313 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,313 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:35,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,314 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,314 - INFO - moving on ...
+2024-12-09 10:29:35,315 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:35,315 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:35,315 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:35,315 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,315 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:35,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,316 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,316 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:35,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:35,316 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:35,336 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,337 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,337 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:35,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:35,337 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,337 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:35,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,339 - INFO - number of orbitals:  116
+2024-12-09 10:29:35,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,339 - INFO - moving on ...
+2024-12-09 10:29:35,339 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:35,339 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:35,339 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:35,339 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,339 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:35,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,340 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,340 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,340 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:35,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:35,340 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:35,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,357 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,357 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:35,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:35,357 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,357 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:35,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,359 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,359 - INFO - moving on ...
+2024-12-09 10:29:35,359 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:35,359 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:35,359 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:35,359 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,359 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:35,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,361 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,361 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,361 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:35,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:35,361 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:35,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,378 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,378 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:35,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:35,378 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,378 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:35,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,379 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,380 - INFO - moving on ...
+2024-12-09 10:29:35,380 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:35,380 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:35,380 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:35,380 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,380 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:35,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,381 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,381 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,381 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:35,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:35,381 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:35,398 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,398 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,398 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:35,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:35,398 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,398 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:35,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,400 - INFO - number of orbitals:  110
+2024-12-09 10:29:35,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,400 - INFO - moving on ...
+2024-12-09 10:29:35,400 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:35,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,401 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,401 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,401 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:35,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:35,401 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:35,417 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,418 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,418 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:35,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:35,418 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,418 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:35,418 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:35,418 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:35,418 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,418 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:35,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,420 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,420 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,420 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:35,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:35,420 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:35,436 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,437 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,437 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:35,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:35,437 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,437 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:35,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,439 - INFO - number of orbitals:  135
+2024-12-09 10:29:35,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,439 - INFO - moving on ...
+2024-12-09 10:29:35,439 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:35,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,441 - INFO - number of orbitals:  88
+2024-12-09 10:29:35,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,441 - INFO - moving on ...
+2024-12-09 10:29:35,441 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:35,441 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:35,441 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:35,441 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,441 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:35,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,442 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,443 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:35,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:35,443 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:35,459 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,460 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,460 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:35,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:35,460 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,460 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:35,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,461 - INFO - number of orbitals:  119
+2024-12-09 10:29:35,461 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,461 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,461 - INFO - moving on ...
+2024-12-09 10:29:35,461 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:35,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,463 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,463 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,463 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:35,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:35,463 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:35,479 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,479 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,479 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:35,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:35,480 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,480 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:35,480 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:35,480 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:35,480 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,480 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:35,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,481 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,481 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,481 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:35,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:35,482 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:35,498 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,498 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,498 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:35,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:35,499 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,499 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:35,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,500 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,500 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,500 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:35,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:35,500 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:35,517 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,517 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,517 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:35,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:35,518 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,518 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:35,518 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:35,518 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:35,518 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,518 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:35,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,519 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,519 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,520 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:35,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:35,520 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:35,536 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,536 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,536 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:35,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:35,536 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,536 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:35,536 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:35,536 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:35,536 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,537 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:35,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,538 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,538 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,538 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:35,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:35,538 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:35,554 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,554 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,554 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:35,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:35,554 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,554 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:35,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,556 - INFO - number of orbitals:  89
+2024-12-09 10:29:35,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,556 - INFO - moving on ...
+2024-12-09 10:29:35,556 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:35,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,557 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,557 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,557 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:35,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:35,557 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:35,573 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,574 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,574 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:35,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:35,574 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,574 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:35,574 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:35,574 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:35,574 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,574 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:35,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,576 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,576 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,576 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:35,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:35,576 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:35,592 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,592 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,592 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:35,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:35,593 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,593 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:35,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,594 - INFO - number of orbitals:  94
+2024-12-09 10:29:35,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,594 - INFO - moving on ...
+2024-12-09 10:29:35,594 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:35,595 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:35,595 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:35,595 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,595 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:35,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,596 - INFO - number of orbitals:  70
+2024-12-09 10:29:35,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,596 - INFO - moving on ...
+2024-12-09 10:29:35,596 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:35,596 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:35,596 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:35,596 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,596 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:35,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,598 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,598 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,598 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:35,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:35,598 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:35,614 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,614 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,614 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:35,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:35,615 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,615 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:35,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,616 - INFO - number of orbitals:  79
+2024-12-09 10:29:35,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,616 - INFO - moving on ...
+2024-12-09 10:29:35,616 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:35,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,618 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,618 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,618 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:35,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:35,618 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:35,635 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,635 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,635 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:35,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:35,636 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,636 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:35,636 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:35,636 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:35,636 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,636 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:35,636 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,636 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,636 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,638 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,638 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,638 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:35,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:35,638 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:35,656 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,656 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,656 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:35,656 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,657 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,657 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,659 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,659 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,659 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:35,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:35,659 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:35,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,676 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,676 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:35,676 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,678 - INFO - number of orbitals:  90
+2024-12-09 10:29:35,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,678 - INFO - moving on ...
+2024-12-09 10:29:35,678 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:35,678 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,679 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,679 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,680 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,681 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,681 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:35,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:35,681 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:35,698 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,698 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,698 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:35,698 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,699 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,699 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,701 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,701 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,701 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:35,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:35,701 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:35,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,723 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,723 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:35,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,725 - INFO - number of orbitals:  90
+2024-12-09 10:29:35,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,725 - INFO - moving on ...
+2024-12-09 10:29:35,725 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:35,725 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:35,725 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:35,726 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,726 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:35,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,727 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,727 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,727 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:35,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:35,727 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:35,743 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,744 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,744 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:35,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:35,744 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,744 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:35,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,745 - INFO - number of orbitals:  115
+2024-12-09 10:29:35,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,745 - INFO - moving on ...
+2024-12-09 10:29:35,745 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:35,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,747 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,747 - INFO - number of supporting files: 2
+2024-12-09 10:29:35,747 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:35,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:35,747 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:35,763 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,763 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,763 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:35,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:35,763 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:35,763 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:35,763 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:35,763 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:35,764 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,764 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:35,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,765 - INFO - number of orbitals:  76
+2024-12-09 10:29:35,765 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,765 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,765 - INFO - moving on ...
+2024-12-09 10:29:35,765 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:35,765 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:35,765 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:35,765 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,765 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:35,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,767 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,767 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,767 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:35,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:35,767 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:35,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,783 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,783 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:35,784 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:35,784 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:35,784 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,784 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:35,784 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,784 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,784 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,786 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,786 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,786 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:35,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:35,786 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:35,803 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,803 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,803 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:35,803 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,803 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,803 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,805 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,805 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,805 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:35,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:35,805 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:35,821 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,822 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,822 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:35,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,824 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,824 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,824 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:35,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:35,824 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:35,840 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,841 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,841 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:35,841 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,841 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,841 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,843 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,843 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,843 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:35,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:35,843 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:35,859 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,860 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,860 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:35,860 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,860 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,860 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,862 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,862 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,862 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:35,862 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:35,862 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:35,878 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,878 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,878 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:35,878 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,879 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,879 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,881 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,881 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,881 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:35,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:35,881 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:35,898 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,898 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,898 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:35,898 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:35,898 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:35,898 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,898 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:35,898 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,899 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,899 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,901 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,901 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,901 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,901 - INFO - moving on ...
+2024-12-09 10:29:35,901 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:35,901 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,901 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,901 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,903 - INFO - number of orbitals:  70
+2024-12-09 10:29:35,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,903 - INFO - moving on ...
+2024-12-09 10:29:35,903 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:35,903 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,903 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,903 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,905 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,905 - INFO - moving on ...
+2024-12-09 10:29:35,905 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:35,905 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:35,905 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:35,905 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,905 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:35,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,907 - INFO - number of orbitals:  76
+2024-12-09 10:29:35,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,907 - INFO - moving on ...
+2024-12-09 10:29:35,907 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:35,907 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:35,907 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:35,907 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:35,907 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:35,907 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,908 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,908 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,909 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,909 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,909 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:35,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:35,909 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:35,926 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,926 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,926 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:35,926 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,926 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,926 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,928 - INFO - number of orbitals:  70
+2024-12-09 10:29:35,928 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,928 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,929 - INFO - moving on ...
+2024-12-09 10:29:35,929 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:35,929 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,929 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,929 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,931 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,931 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:35,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:35,931 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:35,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,947 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,947 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:35,947 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,948 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,948 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,949 - INFO - number of orbitals:  69
+2024-12-09 10:29:35,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:35,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:35,950 - INFO - moving on ...
+2024-12-09 10:29:35,950 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:35,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,950 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,950 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,951 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,952 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,952 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:35,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:35,952 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:35,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,968 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,968 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:35,968 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,969 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,969 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,970 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,971 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,971 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:35,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:35,971 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:35,987 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:35,988 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:35,988 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:35,988 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:35,988 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:35,988 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:35,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:35,990 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:35,990 - INFO - number of supporting files: 1
+2024-12-09 10:29:35,990 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:35,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:35,990 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:36,006 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,006 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,006 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:36,007 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,007 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,007 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,009 - INFO - number of orbitals:  69
+2024-12-09 10:29:36,009 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:36,009 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,009 - INFO - moving on ...
+2024-12-09 10:29:36,009 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:36,009 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,009 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,009 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,011 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,011 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,011 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:36,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:36,011 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:36,027 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,027 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,027 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:36,028 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,028 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,028 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,030 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,030 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,030 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:36,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:36,030 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:36,045 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,046 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,046 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:36,046 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,046 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,046 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,048 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,048 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,048 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:36,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:36,048 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:36,064 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,064 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,064 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:36,064 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,066 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,066 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,066 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:36,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:36,066 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:36,082 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,083 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,083 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:36,083 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,083 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,083 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,085 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,085 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:36,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:36,085 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:36,101 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,101 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,101 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:36,101 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,101 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,101 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,103 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,103 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,103 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:36,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:36,104 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:36,119 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,119 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,120 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:36,120 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,120 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,120 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,122 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,122 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,122 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:36,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:36,122 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:36,138 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,138 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,139 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:36,139 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,139 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,139 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,141 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,141 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:36,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:36,141 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:36,157 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,157 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,157 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:36,158 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:36,158 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:36,158 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,158 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:36,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,159 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,159 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:36,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:36,159 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:36,175 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,175 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,176 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:36,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:36,176 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,176 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:36,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,177 - INFO - number of orbitals:  90
+2024-12-09 10:29:36,177 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
+2024-12-09 10:29:36,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,177 - INFO - moving on ...
+2024-12-09 10:29:36,177 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:36,178 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:36,178 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:36,178 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,178 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:36,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,179 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,179 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,179 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:36,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:36,179 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:36,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,195 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,195 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:36,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:36,195 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,195 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:36,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,196 - INFO - number of orbitals:  118
+2024-12-09 10:29:36,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,196 - INFO - moving on ...
+2024-12-09 10:29:36,196 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:36,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,198 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,198 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,198 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:36,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:36,198 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:36,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,214 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,215 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:36,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:36,215 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,215 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:36,215 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:36,215 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:36,215 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,215 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:36,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,217 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,217 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,217 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:36,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:36,217 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:36,233 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,233 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,233 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:36,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:36,234 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,234 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:36,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,235 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,235 - INFO - moving on ...
+2024-12-09 10:29:36,235 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:36,236 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:36,236 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:36,236 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,236 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:36,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,237 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,237 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:36,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:36,237 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,254 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,254 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,254 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:36,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:36,254 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,254 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:36,255 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:36,255 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:36,255 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,255 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:36,255 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,255 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,255 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,257 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,257 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,258 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:36,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:36,258 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:36,275 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,275 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,276 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:36,276 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,276 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,276 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,278 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,278 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:36,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:36,278 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:36,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,295 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,296 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:36,296 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,296 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,296 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,298 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,298 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:36,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:36,298 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,315 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,315 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,315 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:36,315 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,315 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,315 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,317 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,317 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,317 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:36,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:36,317 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,334 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,334 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:36,334 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,334 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,334 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,336 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,336 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:36,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:36,336 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:36,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,353 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,353 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:36,353 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,353 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,353 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,355 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,355 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,355 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:36,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:36,355 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:36,371 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,372 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,372 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:36,372 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,372 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,372 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,374 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,374 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:36,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:36,374 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:36,391 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,392 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,392 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:36,392 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,392 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,392 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,394 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,394 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:36,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:36,394 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:36,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,410 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,410 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:36,411 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,411 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,411 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,413 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,413 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:36,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:36,413 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:36,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,431 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,431 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:36,431 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,431 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,431 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,433 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,433 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:36,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:36,434 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:36,450 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,451 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,451 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:36,451 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,451 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,451 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,453 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,453 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:36,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:36,453 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,471 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,471 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,471 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:36,471 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,471 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,471 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,473 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,473 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,473 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:36,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:36,473 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:36,490 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,490 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,490 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:36,490 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:36,490 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:36,490 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,491 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:36,491 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,491 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,491 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,492 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,493 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,493 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:36,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:36,493 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:36,508 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,509 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,509 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:36,509 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,509 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,509 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,511 - INFO - number of orbitals:  108
+2024-12-09 10:29:36,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,511 - INFO - moving on ...
+2024-12-09 10:29:36,511 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:36,511 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:36,511 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:36,511 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,511 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:36,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,512 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,512 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,513 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:36,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:36,513 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:36,529 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,529 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,530 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:36,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:36,530 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,530 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:36,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,531 - INFO - number of orbitals:  135
+2024-12-09 10:29:36,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,531 - INFO - moving on ...
+2024-12-09 10:29:36,532 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:36,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,533 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,533 - INFO - moving on ...
+2024-12-09 10:29:36,533 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:36,533 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:36,533 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:36,533 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,533 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:36,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,535 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:36,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:36,535 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:36,552 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,552 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,552 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:36,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:36,553 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,553 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:36,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,554 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,555 - INFO - moving on ...
+2024-12-09 10:29:36,555 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:36,555 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:36,555 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:36,555 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,555 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:36,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,557 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,557 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,557 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:36,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:36,557 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:36,575 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,575 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,575 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:36,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:36,575 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,575 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:36,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,577 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,577 - INFO - moving on ...
+2024-12-09 10:29:36,577 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:36,577 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:36,577 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:36,577 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,577 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:36,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,579 - INFO - number of orbitals:  76
+2024-12-09 10:29:36,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,579 - INFO - moving on ...
+2024-12-09 10:29:36,579 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:36,579 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:36,579 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:36,579 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,579 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:36,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,580 - INFO - number of orbitals:  76
+2024-12-09 10:29:36,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,581 - INFO - moving on ...
+2024-12-09 10:29:36,581 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:36,581 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:36,581 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:36,581 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,581 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:36,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,582 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,582 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:36,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:36,582 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:36,599 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,599 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,599 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:36,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:36,599 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,599 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:36,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,601 - INFO - number of orbitals:  118
+2024-12-09 10:29:36,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,601 - INFO - moving on ...
+2024-12-09 10:29:36,601 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:36,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,602 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,602 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,602 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:36,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:36,602 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:36,618 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,618 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,619 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:36,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:36,619 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,619 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:36,619 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:36,619 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:36,619 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,619 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:36,619 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,619 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,619 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,621 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,621 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,621 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:36,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:36,621 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,637 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,637 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,637 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:36,637 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,637 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,637 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,639 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,639 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,639 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:36,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:36,639 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:36,655 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,655 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,655 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:36,655 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,655 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,655 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,657 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,657 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,657 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:36,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:36,658 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:36,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,675 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,675 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:36,675 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,678 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,678 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,678 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:36,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:36,678 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:36,694 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,695 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,695 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:36,695 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,695 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,695 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,697 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,697 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,697 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:36,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:36,697 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:36,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,713 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,713 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:36,713 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,713 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,713 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,715 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,715 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:36,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:36,716 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:36,731 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,731 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,732 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:36,732 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,732 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,732 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,734 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,734 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,734 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:36,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:36,734 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:36,751 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,751 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,751 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:36,751 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:36,751 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:36,751 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:36,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,754 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,754 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:36,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:36,754 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:36,771 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,771 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,771 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:36,772 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:36,772 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:36,772 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,772 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:36,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,773 - INFO - number of orbitals:  76
+2024-12-09 10:29:36,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,773 - INFO - moving on ...
+2024-12-09 10:29:36,773 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:36,773 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:36,773 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:36,773 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,774 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:36,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,775 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,775 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,775 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:36,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:36,775 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:36,791 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,791 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,791 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:36,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:36,791 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,792 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:36,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,793 - INFO - number of orbitals:  76
+2024-12-09 10:29:36,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,793 - INFO - moving on ...
+2024-12-09 10:29:36,793 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:36,793 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:36,793 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:36,794 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,794 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:36,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,795 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,795 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,795 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:36,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:36,795 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:36,811 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,811 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,812 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:36,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:36,812 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,812 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:36,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,813 - INFO - number of orbitals:  119
+2024-12-09 10:29:36,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,813 - INFO - moving on ...
+2024-12-09 10:29:36,813 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:36,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,815 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,815 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,815 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:36,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:36,815 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:36,831 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,831 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,831 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:36,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:36,831 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,831 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:36,831 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:36,832 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:36,832 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,832 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:36,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,833 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,833 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,833 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:36,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:36,833 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:36,849 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,850 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,850 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:36,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:36,850 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,850 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:36,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,852 - INFO - number of orbitals:  135
+2024-12-09 10:29:36,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,852 - INFO - moving on ...
+2024-12-09 10:29:36,852 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:36,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,853 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,853 - INFO - moving on ...
+2024-12-09 10:29:36,853 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:36,853 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:36,853 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:36,853 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,853 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:36,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,854 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,855 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,855 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:36,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:36,855 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:36,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,871 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,871 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:36,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:36,871 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,871 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:36,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,873 - INFO - number of orbitals:  118
+2024-12-09 10:29:36,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,873 - INFO - moving on ...
+2024-12-09 10:29:36,873 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:36,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,874 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,874 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:36,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:36,874 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:36,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,891 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,891 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:36,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:36,891 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,891 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:36,891 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:36,891 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:36,891 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,891 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:36,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,893 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,893 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:36,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:36,893 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:36,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,909 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,909 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:36,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:36,909 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,909 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:36,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,911 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,911 - INFO - moving on ...
+2024-12-09 10:29:36,911 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:36,911 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:36,911 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:36,911 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,911 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:36,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,912 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,912 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,912 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:36,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:36,912 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:36,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,929 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,929 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:36,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:36,929 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,929 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:36,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,931 - INFO - number of orbitals:  110
+2024-12-09 10:29:36,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,931 - INFO - moving on ...
+2024-12-09 10:29:36,931 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:36,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,932 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,932 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:36,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:36,933 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:36,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,949 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,949 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:36,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:36,949 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,949 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:36,950 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:36,950 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:36,950 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,950 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:36,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,951 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,951 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,951 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:36,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:36,951 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:36,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,968 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,968 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:36,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:36,968 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:36,968 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:36,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,970 - INFO - number of orbitals:  88
+2024-12-09 10:29:36,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:36,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:36,970 - INFO - moving on ...
+2024-12-09 10:29:36,970 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:36,970 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:36,970 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:36,970 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,971 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:36,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,972 - INFO - number of supporting files: 1
+2024-12-09 10:29:36,972 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:36,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:36,972 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:36,989 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:36,989 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:36,989 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:36,990 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:36,990 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:36,990 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:36,990 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:36,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:36,991 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:36,991 - INFO - number of supporting files: 2
+2024-12-09 10:29:36,991 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:36,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:36,991 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:37,008 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,009 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,009 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:37,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:37,009 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,009 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:37,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,010 - INFO - number of orbitals:  88
+2024-12-09 10:29:37,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,010 - INFO - moving on ...
+2024-12-09 10:29:37,011 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:37,011 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:37,011 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:37,011 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,011 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:37,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,012 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,012 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,012 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:37,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:37,012 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:37,028 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,029 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,029 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:37,029 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:37,029 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:37,029 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,029 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:37,029 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,030 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,030 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,032 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,032 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:37,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:37,032 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,049 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,049 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:37,049 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,049 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,049 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,051 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,051 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,051 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:37,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:37,051 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:37,068 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,068 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,068 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:37,068 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,068 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,069 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,071 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,071 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,071 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:37,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:37,071 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,087 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,088 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,088 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:37,088 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,088 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,088 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,090 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,090 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:37,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:37,090 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:37,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,106 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,106 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:37,107 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:37,107 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:37,107 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,107 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:37,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,108 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,108 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,108 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:37,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:37,108 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,123 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,123 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,123 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:37,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:37,123 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,123 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:37,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,125 - INFO - number of orbitals:  85
+2024-12-09 10:29:37,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,125 - INFO - moving on ...
+2024-12-09 10:29:37,125 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:37,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,126 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,126 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,126 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:37,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:37,126 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:37,142 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,142 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,142 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:37,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:37,142 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,142 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:37,143 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:37,143 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:37,143 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,143 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:37,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,144 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,144 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,144 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:37,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:37,144 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:37,160 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,160 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,161 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:37,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:37,161 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,161 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:37,162 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,162 - INFO - number of orbitals:  110
+2024-12-09 10:29:37,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,162 - INFO - moving on ...
+2024-12-09 10:29:37,162 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:37,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,163 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,163 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,163 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:37,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:37,164 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:37,178 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,179 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,179 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:37,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:37,179 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,179 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:37,179 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:37,179 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:37,179 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,179 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:37,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,181 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,181 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:37,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:37,181 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:37,196 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,196 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,196 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:37,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:37,196 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,196 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:37,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,198 - INFO - number of orbitals:  85
+2024-12-09 10:29:37,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,198 - INFO - moving on ...
+2024-12-09 10:29:37,198 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:37,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,199 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,199 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,199 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:37,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:37,199 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:37,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,215 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,215 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:37,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:37,215 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,215 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:37,215 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:37,215 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:37,215 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,215 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:37,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,217 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,217 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:37,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:37,217 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:37,232 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,232 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,232 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:37,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:37,232 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,232 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:37,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,234 - INFO - number of orbitals:  88
+2024-12-09 10:29:37,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,234 - INFO - moving on ...
+2024-12-09 10:29:37,234 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:37,234 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:37,234 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:37,235 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,235 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:37,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,236 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,236 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,236 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:37,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:37,236 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:37,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,253 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,254 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:37,254 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:37,254 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:37,254 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,254 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:37,254 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,254 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,254 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,256 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,257 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,257 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:37,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:37,257 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:37,277 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,277 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,277 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:37,277 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,278 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,278 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,280 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,280 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,280 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:37,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:37,280 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:37,297 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,297 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,297 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:37,297 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,297 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,297 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,299 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,299 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,299 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:37,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:37,300 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:37,316 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,316 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,316 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:37,316 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,317 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,317 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,318 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,318 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,319 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:37,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:37,319 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:37,335 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,335 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,335 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:37,335 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,335 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,335 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,337 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,337 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,337 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:37,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:37,337 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:37,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,353 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,354 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:37,354 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,354 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,354 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,356 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,356 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:37,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:37,356 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:37,373 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,373 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,373 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:37,373 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,373 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,373 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,375 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,375 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,375 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:37,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:37,375 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:37,392 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,392 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,392 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:37,392 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,393 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,393 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,395 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,395 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:37,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:37,395 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:37,411 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,412 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,412 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:37,412 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,412 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,412 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,414 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,414 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,414 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:37,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:37,414 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:37,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,431 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,431 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:37,431 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:37,431 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:37,431 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,431 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:37,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,433 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,433 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:37,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:37,433 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:37,449 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,450 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,450 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:37,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:37,450 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,450 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:37,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,452 - INFO - number of orbitals:  88
+2024-12-09 10:29:37,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,452 - INFO - moving on ...
+2024-12-09 10:29:37,452 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:37,452 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:37,452 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:37,452 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,452 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:37,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,454 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,454 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,454 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:37,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:37,454 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:37,471 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,472 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,472 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:37,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:37,472 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,472 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:37,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,474 - INFO - number of orbitals:  72
+2024-12-09 10:29:37,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,474 - INFO - moving on ...
+2024-12-09 10:29:37,474 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:37,474 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:37,474 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:37,475 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,475 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:37,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,476 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,476 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,476 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:37,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:37,476 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:37,492 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,493 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,493 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:37,493 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:37,493 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:37,493 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,493 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:37,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,495 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,495 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,495 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:37,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:37,495 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:37,511 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,512 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,512 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:37,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:37,512 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,512 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:37,512 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:37,512 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:37,512 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,512 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:37,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,514 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,514 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,514 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:37,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:37,514 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:37,531 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,531 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,531 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:37,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:37,531 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,531 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:37,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,533 - INFO - number of orbitals:  116
+2024-12-09 10:29:37,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,533 - INFO - moving on ...
+2024-12-09 10:29:37,533 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:37,533 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:37,533 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:37,533 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,533 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:37,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,535 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,535 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:37,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:37,535 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,551 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,551 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:37,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:37,551 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,551 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:37,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,552 - INFO - number of orbitals:  79
+2024-12-09 10:29:37,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,553 - INFO - moving on ...
+2024-12-09 10:29:37,553 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:37,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,554 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,554 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,554 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:37,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:37,554 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:37,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,570 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,570 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:37,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:37,570 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,570 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:37,570 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:37,570 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:37,570 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,570 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:37,570 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,570 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,570 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,572 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,572 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:37,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:37,572 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:37,588 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,588 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,588 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:37,588 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,589 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,589 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,590 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,591 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:37,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:37,591 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:37,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,607 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,607 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:37,607 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,607 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,607 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,609 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,609 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:37,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:37,610 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:37,625 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,626 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,626 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:37,626 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,626 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,626 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,628 - INFO - number of orbitals:  76
+2024-12-09 10:29:37,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,628 - INFO - moving on ...
+2024-12-09 10:29:37,628 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:37,628 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,628 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,628 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,630 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,630 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,630 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:37,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:37,630 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:37,645 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,646 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,646 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:37,646 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,646 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,646 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,648 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,648 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,648 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:37,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:37,648 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:37,663 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,664 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,664 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:37,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,664 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,664 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,666 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,666 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:37,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:37,666 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:37,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,683 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,683 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:37,683 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,683 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,685 - INFO - number of orbitals:  76
+2024-12-09 10:29:37,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,685 - INFO - moving on ...
+2024-12-09 10:29:37,685 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:37,685 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,685 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,685 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,687 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,687 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,687 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:37,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:37,687 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:37,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,703 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,703 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:37,703 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,703 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,703 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,705 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,705 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:37,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:37,705 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:37,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,721 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,721 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:37,722 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,722 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,722 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,723 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,724 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,724 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:37,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:37,724 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:37,739 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,740 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,740 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:37,740 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,740 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,740 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,742 - INFO - number of orbitals:  76
+2024-12-09 10:29:37,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,742 - INFO - moving on ...
+2024-12-09 10:29:37,742 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:37,742 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:37,742 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:37,742 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,742 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:37,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,743 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,743 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,743 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:37,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:37,744 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:37,759 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,759 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,759 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:37,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:37,759 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,759 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:37,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,761 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,761 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,761 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:37,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:37,761 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:37,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,777 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,777 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:37,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:37,777 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,777 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:37,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,778 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,778 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,778 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:37,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:37,778 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:37,795 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,795 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,795 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:37,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:37,795 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,795 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:37,796 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:37,796 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:37,796 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,796 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:37,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,797 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,797 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:37,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:37,797 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:37,814 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,814 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,815 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:37,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:37,815 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,815 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:37,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,816 - INFO - number of orbitals:  110
+2024-12-09 10:29:37,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,816 - INFO - moving on ...
+2024-12-09 10:29:37,816 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:37,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,818 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,818 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,818 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:37,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:37,818 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:37,834 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,834 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,834 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:37,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:37,834 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,834 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:37,835 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:37,835 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:37,835 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,835 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:37,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,836 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,836 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:37,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:37,836 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:37,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,853 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,853 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:37,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:37,853 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,853 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:37,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,855 - INFO - number of orbitals:  110
+2024-12-09 10:29:37,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:37,855 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:37,855 - INFO - moving on ...
+2024-12-09 10:29:37,855 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:37,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,856 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,856 - INFO - number of supporting files: 2
+2024-12-09 10:29:37,856 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:37,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:37,856 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:37,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,872 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,872 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:37,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:37,873 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:37,873 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:37,873 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:37,873 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:37,873 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:37,873 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:37,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,875 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,875 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:37,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:37,875 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:37,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,891 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,891 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:37,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,891 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,891 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,893 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,893 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:37,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:37,893 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:37,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,909 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,909 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:37,909 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,909 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,909 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,911 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,911 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:37,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:37,911 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:37,927 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,928 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,928 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:37,928 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,928 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,928 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,930 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,930 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:37,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:37,930 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:37,946 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,946 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,947 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:37,947 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,947 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,947 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,949 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,949 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:37,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:37,949 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:37,965 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,966 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,966 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:37,966 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,966 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,966 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,968 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,969 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,969 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:37,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:37,969 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:37,985 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:37,985 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:37,985 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:37,986 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:37,986 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:37,986 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:37,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:37,988 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:37,988 - INFO - number of supporting files: 1
+2024-12-09 10:29:37,988 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:37,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:37,988 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,004 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,004 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,005 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:38,005 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,005 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,005 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,007 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,007 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,007 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:38,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:38,007 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:38,024 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,024 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,024 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:38,024 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,025 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,025 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,026 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,026 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,027 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:38,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:38,027 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:38,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,043 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,044 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:38,044 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:38,044 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:38,044 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,044 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:38,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,045 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,045 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:38,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:38,046 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:38,062 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,062 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,062 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:38,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:38,062 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,062 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:38,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,064 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,064 - INFO - moving on ...
+2024-12-09 10:29:38,064 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:38,064 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:38,064 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:38,064 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,064 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:38,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,066 - INFO - number of orbitals:  76
+2024-12-09 10:29:38,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,066 - INFO - moving on ...
+2024-12-09 10:29:38,066 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:38,066 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:38,066 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:38,066 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,066 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:38,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,067 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,067 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,067 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:38,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:38,067 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:38,085 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,086 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,086 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:38,086 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:38,086 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:38,086 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,086 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:38,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,088 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,088 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,088 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:38,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:38,088 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:38,108 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,109 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,109 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:38,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:38,109 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,109 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:38,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,111 - INFO - number of orbitals:  74
+2024-12-09 10:29:38,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,112 - INFO - moving on ...
+2024-12-09 10:29:38,112 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:38,112 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:38,112 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:38,112 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,112 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:38,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,114 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,114 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,114 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:38,114 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:38,115 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,137 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,138 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,138 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:38,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:38,139 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,139 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:38,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,141 - INFO - number of orbitals:  90
+2024-12-09 10:29:38,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,141 - INFO - moving on ...
+2024-12-09 10:29:38,141 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:38,142 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:38,142 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:38,142 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,142 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:38,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,144 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,144 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,144 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:38,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:38,145 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:38,166 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,166 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,166 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:38,167 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:38,167 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:38,167 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,167 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:38,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,169 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,169 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,169 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:38,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:38,169 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:38,191 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,191 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,191 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:38,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:38,191 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,191 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:38,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,193 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,193 - INFO - moving on ...
+2024-12-09 10:29:38,193 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:38,194 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:38,194 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:38,194 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,194 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:38,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,195 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,195 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,195 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:38,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:38,195 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:38,212 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,213 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,213 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:38,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:38,213 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,213 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:38,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,214 - INFO - number of orbitals:  106
+2024-12-09 10:29:38,215 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,215 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,215 - INFO - moving on ...
+2024-12-09 10:29:38,215 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:38,215 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:38,215 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:38,215 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,215 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:38,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,216 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,216 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:38,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:38,216 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:38,233 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,234 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,234 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:38,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:38,234 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,234 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:38,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,236 - INFO - number of orbitals:  118
+2024-12-09 10:29:38,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,236 - INFO - moving on ...
+2024-12-09 10:29:38,236 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:38,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,237 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,237 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:38,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:38,237 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:38,254 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,254 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,255 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:38,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:38,255 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,255 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:38,255 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:38,255 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:38,255 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,255 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:38,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,257 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,257 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,257 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:38,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:38,257 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:38,275 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,275 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,275 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:38,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:38,275 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,275 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:38,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,277 - INFO - number of orbitals:  114
+2024-12-09 10:29:38,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,277 - INFO - moving on ...
+2024-12-09 10:29:38,277 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:38,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,279 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,279 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,279 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:38,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:38,279 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:38,296 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,296 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,296 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:38,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:38,296 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,296 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:38,297 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:38,297 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:38,297 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,297 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:38,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,298 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,298 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:38,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:38,298 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:38,315 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,316 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,316 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:38,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:38,316 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,316 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:38,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,317 - INFO - number of orbitals:  115
+2024-12-09 10:29:38,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,318 - INFO - moving on ...
+2024-12-09 10:29:38,318 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:38,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,319 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,319 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,319 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:38,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:38,319 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:38,336 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,336 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,336 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:38,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:38,337 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,337 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:38,337 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:38,337 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:38,337 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,337 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:38,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,338 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,338 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,338 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:38,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:38,339 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:38,355 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,356 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,356 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:38,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:38,356 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,356 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:38,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,358 - INFO - number of orbitals:  78
+2024-12-09 10:29:38,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,358 - INFO - moving on ...
+2024-12-09 10:29:38,358 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:38,358 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:38,358 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:38,358 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,358 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:38,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,359 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,359 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,359 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:38,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:38,360 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:38,376 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,377 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,377 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:38,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:38,377 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,377 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:38,377 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:38,377 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:38,377 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,377 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:38,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,379 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,379 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,379 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:38,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:38,379 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:38,395 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,396 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,396 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:38,396 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:38,396 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:38,396 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,396 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:38,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,397 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,398 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,398 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:38,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:38,398 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:38,414 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,414 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,414 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:38,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:38,414 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,414 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:38,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,416 - INFO - number of orbitals:  86
+2024-12-09 10:29:38,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,416 - INFO - moving on ...
+2024-12-09 10:29:38,416 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:38,416 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:38,416 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:38,416 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,416 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:38,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,418 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,418 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,418 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:38,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:38,418 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:38,433 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,434 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,434 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:38,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:38,434 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,434 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:38,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,436 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,436 - INFO - moving on ...
+2024-12-09 10:29:38,436 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:38,436 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:38,436 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:38,436 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,436 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:38,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,437 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,437 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,437 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:38,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:38,438 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:38,454 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,454 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,454 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:38,454 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:38,454 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:38,454 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,454 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:38,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,456 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,456 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,456 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:38,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:38,456 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:38,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,472 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,472 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:38,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:38,472 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,472 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:38,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,474 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,474 - INFO - moving on ...
+2024-12-09 10:29:38,474 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:38,474 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:38,474 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:38,474 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,474 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:38,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,476 - INFO - number of orbitals:  76
+2024-12-09 10:29:38,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,476 - INFO - moving on ...
+2024-12-09 10:29:38,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:38,476 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:38,476 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:38,476 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,476 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:38,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,477 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,477 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,477 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:38,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:38,477 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:38,494 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,494 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,494 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:38,495 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:38,495 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:38,495 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,495 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:38,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,496 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,496 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,496 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:38,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:38,496 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,512 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,513 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,513 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:38,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:38,513 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,513 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:38,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,514 - INFO - number of orbitals:  116
+2024-12-09 10:29:38,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,515 - INFO - moving on ...
+2024-12-09 10:29:38,515 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:38,515 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:38,515 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:38,515 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,515 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:38,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,516 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,516 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,516 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:38,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:38,516 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:38,532 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,533 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,533 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:38,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:38,533 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,533 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:38,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,534 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,535 - INFO - moving on ...
+2024-12-09 10:29:38,535 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:38,535 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:38,535 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:38,535 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,535 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:38,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,536 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,536 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,536 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:38,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:38,536 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:38,552 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,552 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,552 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:38,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:38,553 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,553 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:38,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,554 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,554 - INFO - moving on ...
+2024-12-09 10:29:38,554 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:38,554 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:38,554 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:38,554 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,554 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:38,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,556 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,556 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,556 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:38,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:38,556 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:38,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,572 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,572 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:38,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:38,572 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,572 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:38,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,573 - INFO - number of orbitals:  110
+2024-12-09 10:29:38,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,574 - INFO - moving on ...
+2024-12-09 10:29:38,574 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:38,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,575 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,575 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,575 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:38,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:38,575 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:38,591 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,592 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,592 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:38,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:38,592 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,592 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:38,592 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:38,592 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:38,592 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,592 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:38,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,594 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,594 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,594 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:38,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:38,594 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:38,610 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,611 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,611 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:38,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:38,611 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,611 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:38,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,612 - INFO - number of orbitals:  135
+2024-12-09 10:29:38,612 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,612 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,613 - INFO - moving on ...
+2024-12-09 10:29:38,613 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:38,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,614 - INFO - number of orbitals:  88
+2024-12-09 10:29:38,614 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,614 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,614 - INFO - moving on ...
+2024-12-09 10:29:38,614 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:38,614 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:38,614 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:38,614 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,614 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:38,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,615 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,616 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,616 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:38,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:38,616 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:38,632 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,632 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,632 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:38,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:38,632 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,632 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:38,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,634 - INFO - number of orbitals:  119
+2024-12-09 10:29:38,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,634 - INFO - moving on ...
+2024-12-09 10:29:38,634 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:38,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,635 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:38,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:38,636 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:38,652 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,652 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,652 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:38,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:38,652 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,652 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:38,652 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:38,653 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:38,653 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,653 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:38,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,654 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,654 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,654 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:38,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:38,655 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:38,672 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,672 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,672 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:38,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:38,672 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,672 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:38,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,674 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,674 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,674 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:38,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:38,674 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,690 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,691 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,691 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:38,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:38,691 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,691 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:38,691 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:38,691 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:38,691 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,691 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:38,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,693 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,693 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,693 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:38,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:38,693 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:38,709 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,710 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,710 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:38,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:38,710 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,710 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:38,710 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:38,710 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:38,710 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,710 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:38,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,712 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,712 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,712 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:38,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:38,712 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:38,728 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,729 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,729 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:38,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:38,729 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,729 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:38,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,731 - INFO - number of orbitals:  89
+2024-12-09 10:29:38,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,731 - INFO - moving on ...
+2024-12-09 10:29:38,731 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:38,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,733 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,733 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,733 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:38,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:38,733 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:38,750 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,751 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,751 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:38,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:38,751 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,751 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:38,751 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:38,751 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:38,751 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,751 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:38,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,753 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,753 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:38,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:38,753 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:38,769 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,770 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,770 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:38,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:38,770 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,770 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:38,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,772 - INFO - number of orbitals:  94
+2024-12-09 10:29:38,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,772 - INFO - moving on ...
+2024-12-09 10:29:38,772 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:38,772 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:38,772 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:38,772 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,772 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:38,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,774 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,774 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,774 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:38,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:38,774 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:38,792 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,792 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,792 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:38,792 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:38,792 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:38,792 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,792 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:38,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,794 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,794 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,794 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:38,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:38,794 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:38,811 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,811 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,811 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:38,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:38,811 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,811 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:38,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,813 - INFO - number of orbitals:  79
+2024-12-09 10:29:38,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,813 - INFO - moving on ...
+2024-12-09 10:29:38,813 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:38,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,814 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,814 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,814 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:38,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:38,814 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:38,831 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,831 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,831 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:38,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:38,831 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,831 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:38,832 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:38,832 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:38,832 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,832 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:38,832 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,832 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,832 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,834 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,834 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,834 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:38,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:38,834 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:38,850 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,851 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,851 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:38,851 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,851 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,851 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,853 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,854 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,854 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:38,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:38,854 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:38,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,872 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,872 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:38,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,875 - INFO - number of orbitals:  90
+2024-12-09 10:29:38,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,875 - INFO - moving on ...
+2024-12-09 10:29:38,875 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:38,875 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,875 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,875 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,877 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,877 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,877 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:38,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:38,877 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:38,894 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,894 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,894 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:38,894 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,894 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,894 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,896 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,896 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,896 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:38,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:38,896 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:38,913 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,914 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,914 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:38,914 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,914 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,914 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,916 - INFO - number of orbitals:  90
+2024-12-09 10:29:38,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,916 - INFO - moving on ...
+2024-12-09 10:29:38,916 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:38,916 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:38,916 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:38,916 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,916 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:38,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,917 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,918 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,918 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:38,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:38,918 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:38,934 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,934 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,934 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:38,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:38,934 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,934 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:38,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,936 - INFO - number of orbitals:  115
+2024-12-09 10:29:38,936 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,936 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,936 - INFO - moving on ...
+2024-12-09 10:29:38,936 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:38,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,937 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,938 - INFO - number of supporting files: 2
+2024-12-09 10:29:38,938 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:38,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:38,938 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:38,954 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,954 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,954 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:38,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:38,954 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:38,954 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:38,955 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:38,955 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:38,955 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,955 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:38,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,956 - INFO - number of orbitals:  76
+2024-12-09 10:29:38,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:38,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:38,956 - INFO - moving on ...
+2024-12-09 10:29:38,956 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:38,956 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:38,956 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:38,956 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,956 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:38,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,958 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,958 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,958 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:38,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:38,958 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:38,974 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,975 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,975 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:38,975 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:38,975 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:38,975 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:38,975 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:38,975 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,975 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,975 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,977 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,977 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,977 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:38,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:38,978 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:38,994 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:38,995 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:38,995 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:38,995 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:38,995 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:38,995 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:38,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:38,997 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:38,997 - INFO - number of supporting files: 1
+2024-12-09 10:29:38,997 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:38,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:38,997 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:39,014 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,015 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,015 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:39,015 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,015 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,015 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,017 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,017 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,017 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:39,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:39,017 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,034 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,035 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,035 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:39,035 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,035 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,035 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,037 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,037 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,037 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:39,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:39,037 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:39,054 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,054 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,055 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:39,055 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,055 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,055 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,057 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,057 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,057 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:39,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:39,057 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:39,075 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,075 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,076 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:39,076 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,076 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,076 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,078 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,078 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,078 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:39,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:39,078 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,095 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,095 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:39,095 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:39,096 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:39,096 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,096 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:39,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,098 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:39,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:39,098 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,114 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,115 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,115 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:39,115 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,115 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,115 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,117 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,117 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,117 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:39,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:39,117 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:39,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,136 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,136 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:39,136 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,136 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,136 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,138 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,138 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,138 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:39,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:39,138 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:39,156 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,156 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,156 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:39,157 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:39,157 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:39,157 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,157 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:39,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,158 - INFO - number of orbitals:  76
+2024-12-09 10:29:39,158 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:39,158 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,158 - INFO - moving on ...
+2024-12-09 10:29:39,158 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:39,159 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:39,159 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:39,159 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,159 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:39,159 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,159 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,159 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,161 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,161 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:39,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:39,161 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:39,178 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,179 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,179 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:39,179 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,179 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,179 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,181 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,181 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:39,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:39,181 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:39,206 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,207 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,207 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:39,207 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,207 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,207 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,209 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,209 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,209 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:39,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:39,209 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:39,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,226 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,226 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:39,226 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,226 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,226 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,228 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,228 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,228 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:39,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:39,228 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,245 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,245 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,245 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:39,245 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,245 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,245 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,247 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,247 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,247 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:39,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:39,247 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:39,263 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,264 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,264 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:39,264 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,264 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,264 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,266 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,266 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:39,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:39,266 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:39,283 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,283 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,283 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:39,283 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,283 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,283 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,285 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,285 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,285 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:39,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:39,285 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:39,302 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,302 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,302 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:39,302 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,302 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,302 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,304 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,304 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,304 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:39,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:39,304 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:39,321 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,321 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,321 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:39,321 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,322 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,322 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,323 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,323 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,323 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:39,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:39,324 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:39,339 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,340 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,340 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:39,340 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,340 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,340 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,342 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,342 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,342 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:39,342 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:39,342 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:39,358 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,359 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,359 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:39,359 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,359 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,359 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,361 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,361 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,361 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:39,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:39,361 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:39,378 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,378 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,378 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:39,378 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,378 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,378 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,380 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,380 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,380 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:39,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:39,381 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,397 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,397 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,397 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:39,397 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,397 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,397 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,399 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,400 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,400 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:39,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:39,400 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:39,416 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,417 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,417 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:39,417 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,417 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,417 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,419 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,419 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,419 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:39,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:39,419 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:39,435 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,436 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,436 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:39,436 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,436 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,436 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,438 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,438 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,438 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:39,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:39,438 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:39,454 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,454 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,454 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:39,454 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,455 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,455 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,457 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,457 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,457 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:39,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:39,457 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:39,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,473 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,473 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:39,473 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:39,473 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:39,473 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,473 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:39,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,475 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,475 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,475 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:39,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:39,475 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:39,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,491 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,492 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:39,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:39,492 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,492 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:39,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,493 - INFO - number of orbitals:  90
+2024-12-09 10:29:39,493 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
+2024-12-09 10:29:39,493 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,493 - INFO - moving on ...
+2024-12-09 10:29:39,493 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:39,494 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:39,494 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:39,494 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,494 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:39,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,495 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,495 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,495 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:39,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:39,495 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:39,512 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,512 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,512 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:39,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:39,512 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,512 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:39,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,514 - INFO - number of orbitals:  118
+2024-12-09 10:29:39,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,514 - INFO - moving on ...
+2024-12-09 10:29:39,514 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:39,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,516 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,516 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,516 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:39,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:39,516 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,532 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,533 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,533 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:39,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:39,533 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,533 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:39,533 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:39,533 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:39,533 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,533 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:39,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,535 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:39,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:39,535 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:39,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,551 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,551 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:39,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:39,551 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,551 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:39,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,553 - INFO - number of orbitals:  88
+2024-12-09 10:29:39,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,553 - INFO - moving on ...
+2024-12-09 10:29:39,553 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:39,553 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:39,553 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:39,553 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,553 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:39,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,554 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,554 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,554 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:39,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:39,554 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,571 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,572 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:39,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:39,572 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,572 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:39,572 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:39,572 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:39,572 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,572 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:39,572 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,572 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,572 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,575 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,575 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,575 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:39,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:39,575 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:39,591 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,592 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,592 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:39,592 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,592 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,592 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,594 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,594 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,594 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:39,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:39,594 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:39,611 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,612 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,612 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:39,612 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,612 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,612 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,614 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,614 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,614 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:39,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:39,614 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,631 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,632 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,632 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:39,632 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,632 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,632 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,634 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,634 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,634 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:39,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:39,634 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,652 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,652 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,652 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:39,652 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,652 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,653 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,655 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,655 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,655 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:39,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:39,655 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:39,678 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,679 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,679 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:39,679 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,679 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,679 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,682 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,682 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,682 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:39,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:39,682 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:39,703 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,703 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,703 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:39,703 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,703 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,703 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,706 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,706 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:39,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:39,706 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:39,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,726 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,726 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:39,726 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,726 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,726 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,729 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,729 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:39,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:39,729 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:39,750 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,751 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,751 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:39,751 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,751 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,751 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,754 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,754 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,754 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:39,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:39,755 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:39,778 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,779 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,779 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:39,779 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,779 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,779 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,782 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,783 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,783 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:39,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:39,783 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:39,807 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,807 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,807 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:39,808 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,808 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,808 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,811 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,811 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,811 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:39,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:39,811 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:39,835 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,836 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,836 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:39,836 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,836 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,836 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,839 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,839 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,840 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:39,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:39,840 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:39,863 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,863 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,863 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:39,864 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:39,864 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:39,864 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,864 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:39,864 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,864 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,864 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,867 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,867 - INFO - number of supporting files: 1
+2024-12-09 10:29:39,867 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:39,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:39,867 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:39,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,891 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,891 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:39,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:39,891 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:39,891 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:39,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,894 - INFO - number of orbitals:  108
+2024-12-09 10:29:39,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,894 - INFO - moving on ...
+2024-12-09 10:29:39,894 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:39,894 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:39,894 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:39,894 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,894 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:39,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,896 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,896 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,896 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:39,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:39,896 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:39,921 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,921 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,921 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:39,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:39,922 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,922 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:39,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,924 - INFO - number of orbitals:  135
+2024-12-09 10:29:39,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,924 - INFO - moving on ...
+2024-12-09 10:29:39,924 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:39,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,926 - INFO - number of orbitals:  88
+2024-12-09 10:29:39,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,926 - INFO - moving on ...
+2024-12-09 10:29:39,926 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:39,926 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:39,926 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:39,926 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,926 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:39,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,928 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,928 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,928 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:39,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:39,928 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:39,953 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,953 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,953 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:39,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:39,954 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,954 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:39,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,956 - INFO - number of orbitals:  88
+2024-12-09 10:29:39,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,956 - INFO - moving on ...
+2024-12-09 10:29:39,956 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:39,956 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:39,956 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:39,956 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,956 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:39,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,958 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,958 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,958 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:39,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:39,959 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:39,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:39,982 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:39,982 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:39,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:39,983 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:39,983 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:39,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,985 - INFO - number of orbitals:  88
+2024-12-09 10:29:39,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,985 - INFO - moving on ...
+2024-12-09 10:29:39,985 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:39,985 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:39,985 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:39,986 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,986 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:39,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,988 - INFO - number of orbitals:  76
+2024-12-09 10:29:39,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,988 - INFO - moving on ...
+2024-12-09 10:29:39,988 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:39,988 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:39,988 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:39,988 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,988 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:39,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,990 - INFO - number of orbitals:  76
+2024-12-09 10:29:39,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:39,990 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:39,990 - INFO - moving on ...
+2024-12-09 10:29:39,990 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:39,991 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:39,991 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:39,991 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:39,991 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:39,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:39,992 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:39,992 - INFO - number of supporting files: 2
+2024-12-09 10:29:39,992 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:39,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:39,993 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:40,011 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,011 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,011 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:40,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:40,011 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,011 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:40,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,013 - INFO - number of orbitals:  118
+2024-12-09 10:29:40,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,013 - INFO - moving on ...
+2024-12-09 10:29:40,013 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:40,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,015 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,015 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,015 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:40,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:40,015 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:40,035 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,036 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,036 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:40,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:40,036 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,036 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:40,036 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:40,036 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:40,036 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,036 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:40,036 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,037 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,037 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,039 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,039 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,039 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:40,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:40,039 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:40,057 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,057 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,057 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:40,057 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,057 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,057 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,060 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,060 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,060 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:40,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:40,060 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:40,077 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,078 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,078 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:40,078 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,078 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,078 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,080 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,080 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,080 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:40,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:40,081 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:40,098 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,099 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,099 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:40,099 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,099 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,101 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,101 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:40,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:40,101 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:40,118 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,119 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,119 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:40,119 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,119 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,119 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,121 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,121 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,121 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:40,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:40,121 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:40,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,139 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,139 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:40,140 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,140 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,140 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,142 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,142 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,142 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:40,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:40,142 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:40,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,159 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,159 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:40,159 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,160 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,160 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,162 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,162 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:40,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:40,162 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:40,178 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,179 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,179 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:40,179 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,179 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,179 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,181 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,181 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:40,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:40,181 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:40,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,199 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,199 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:40,199 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:40,199 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:40,199 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,199 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:40,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,201 - INFO - number of orbitals:  76
+2024-12-09 10:29:40,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,201 - INFO - moving on ...
+2024-12-09 10:29:40,201 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:40,201 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:40,201 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:40,201 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,201 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:40,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,202 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,203 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,203 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:40,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:40,203 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:40,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,220 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,220 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:40,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:40,220 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,220 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:40,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,222 - INFO - number of orbitals:  76
+2024-12-09 10:29:40,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,222 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,222 - INFO - moving on ...
+2024-12-09 10:29:40,222 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:40,222 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:40,222 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:40,222 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,222 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:40,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,224 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,224 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,224 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:40,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:40,224 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:40,241 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,241 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,241 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:40,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:40,241 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,241 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:40,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,243 - INFO - number of orbitals:  119
+2024-12-09 10:29:40,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,243 - INFO - moving on ...
+2024-12-09 10:29:40,243 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:40,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,245 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,245 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,245 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:40,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:40,245 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:40,262 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,263 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,263 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:40,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:40,263 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,263 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:40,263 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:40,263 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:40,263 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,263 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:40,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,265 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,265 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,265 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:40,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:40,265 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:40,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,282 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,283 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:40,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:40,283 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,283 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:40,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,284 - INFO - number of orbitals:  135
+2024-12-09 10:29:40,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,284 - INFO - moving on ...
+2024-12-09 10:29:40,284 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:40,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,286 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,286 - INFO - moving on ...
+2024-12-09 10:29:40,286 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:40,286 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:40,286 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:40,286 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,286 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:40,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,288 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,288 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,288 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:40,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:40,288 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:40,306 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,307 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,307 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:40,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:40,307 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,307 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:40,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,309 - INFO - number of orbitals:  118
+2024-12-09 10:29:40,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,309 - INFO - moving on ...
+2024-12-09 10:29:40,309 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:40,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,311 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,311 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:40,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:40,311 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:40,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,334 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,334 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:40,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:40,334 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,334 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:40,334 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:40,334 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:40,335 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,335 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:40,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,336 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,337 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:40,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:40,337 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:40,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,354 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,354 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:40,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:40,354 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,354 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:40,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,355 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,356 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,356 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,356 - INFO - moving on ...
+2024-12-09 10:29:40,356 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:40,356 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:40,356 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:40,356 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,356 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:40,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,357 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,357 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,357 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:40,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:40,357 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:40,374 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,374 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,375 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:40,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:40,375 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,375 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:40,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,377 - INFO - number of orbitals:  110
+2024-12-09 10:29:40,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,377 - INFO - moving on ...
+2024-12-09 10:29:40,377 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:40,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,379 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,379 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,379 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:40,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:40,379 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:40,399 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,400 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,400 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:40,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:40,400 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,400 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:40,400 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:40,400 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:40,400 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,400 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:40,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,402 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,402 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,402 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:40,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:40,402 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:40,419 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,419 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,419 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:40,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:40,419 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,419 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:40,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,421 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,421 - INFO - moving on ...
+2024-12-09 10:29:40,421 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:40,422 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:40,422 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:40,422 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,422 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:40,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,423 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,423 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,423 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:40,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:40,423 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:40,441 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,442 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,442 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:40,442 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:40,442 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:40,442 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,442 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:40,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,444 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,444 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,444 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:40,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:40,444 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:40,461 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,461 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,461 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:40,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:40,461 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,461 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:40,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,463 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,463 - INFO - moving on ...
+2024-12-09 10:29:40,463 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:40,463 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:40,463 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:40,463 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,463 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:40,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,465 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,465 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,465 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:40,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:40,465 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:40,481 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,482 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,482 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:40,482 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:40,482 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:40,482 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,482 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:40,482 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,482 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,482 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,485 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,485 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:40,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:40,485 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:40,502 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,502 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,502 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:40,502 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,502 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,502 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,504 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,504 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,505 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:40,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:40,505 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:40,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,522 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,522 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:40,522 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,522 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,522 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,524 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,524 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,524 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:40,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:40,524 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:40,541 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,541 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,541 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:40,541 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,542 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,542 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,543 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,544 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,544 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:40,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:40,544 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:40,560 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,560 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,560 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:40,561 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:40,561 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:40,561 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,561 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:40,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,562 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,562 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:40,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:40,562 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:40,579 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,579 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,579 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:40,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:40,579 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,579 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:40,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,581 - INFO - number of orbitals:  85
+2024-12-09 10:29:40,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,581 - INFO - moving on ...
+2024-12-09 10:29:40,581 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:40,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,582 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,582 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:40,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:40,582 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:40,601 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,601 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,602 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:40,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:40,602 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,602 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:40,602 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:40,602 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:40,602 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,602 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:40,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,604 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,604 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:40,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:40,604 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:40,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,627 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,627 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:40,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:40,627 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,627 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:40,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,629 - INFO - number of orbitals:  110
+2024-12-09 10:29:40,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,629 - INFO - moving on ...
+2024-12-09 10:29:40,629 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:40,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,631 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,631 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,631 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:40,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:40,631 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:40,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,650 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,650 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:40,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:40,650 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,650 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:40,650 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:40,650 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:40,650 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,650 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:40,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,652 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,652 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,652 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:40,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:40,652 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:40,671 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,671 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,671 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:40,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:40,671 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,672 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:40,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,673 - INFO - number of orbitals:  85
+2024-12-09 10:29:40,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,674 - INFO - moving on ...
+2024-12-09 10:29:40,674 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:40,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,675 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,675 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,676 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:40,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:40,676 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:40,693 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,693 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,693 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:40,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:40,694 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,694 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:40,694 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:40,694 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:40,694 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,694 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:40,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,696 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,696 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,696 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:40,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:40,696 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:40,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,713 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,713 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:40,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:40,713 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,713 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:40,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,715 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,715 - INFO - moving on ...
+2024-12-09 10:29:40,715 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:40,715 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:40,715 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:40,715 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,715 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:40,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,717 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,717 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,717 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:40,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:40,717 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:40,733 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,734 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,734 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:40,734 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:40,734 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:40,734 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,734 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:40,734 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,734 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,736 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,736 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,737 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:40,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:40,737 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:40,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,754 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,754 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:40,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,754 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,754 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,756 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,756 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:40,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:40,757 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:40,774 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,775 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,775 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:40,775 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,775 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,777 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,777 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:40,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:40,777 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:40,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,795 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,795 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:40,795 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,795 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,797 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,797 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:40,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:40,797 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:40,814 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,814 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,814 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:40,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,816 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,816 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:40,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:40,816 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:40,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,833 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,834 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:40,834 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,834 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,834 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,836 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,836 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:40,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:40,836 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:40,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,853 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,853 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:40,853 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,855 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,855 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:40,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:40,855 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:40,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,872 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,872 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:40,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,874 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:40,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:40,875 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:40,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,892 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,892 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:40,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:40,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:40,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:40,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,894 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,894 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:40,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:40,894 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:40,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,911 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,911 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:40,911 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:40,911 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:40,911 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,911 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:40,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,913 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,913 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:40,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:40,913 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:40,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,930 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,930 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:40,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:40,930 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,930 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:40,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,932 - INFO - number of orbitals:  88
+2024-12-09 10:29:40,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:40,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:40,932 - INFO - moving on ...
+2024-12-09 10:29:40,932 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:40,932 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:40,932 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:40,932 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,932 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:40,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,933 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,933 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,933 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:40,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:40,934 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:40,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,950 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,950 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:40,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:40,951 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,951 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:40,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,952 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,952 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:40,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:40,952 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:40,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,969 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,969 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:40,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:40,969 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:40,969 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:40,969 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:40,969 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:40,969 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,969 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:40,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,971 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,971 - INFO - number of supporting files: 1
+2024-12-09 10:29:40,971 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:40,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:40,971 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:40,987 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:40,987 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:40,988 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:40,988 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:40,988 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:40,988 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:40,988 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:40,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:40,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:40,989 - INFO - number of supporting files: 2
+2024-12-09 10:29:40,990 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:40,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:40,990 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:41,007 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,008 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,008 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:41,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:41,008 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,008 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:41,008 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:41,008 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:41,009 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,009 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:41,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,010 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,010 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,010 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:41,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:41,010 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:41,027 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,027 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,027 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:41,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:41,028 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,028 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:41,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,029 - INFO - number of orbitals:  116
+2024-12-09 10:29:41,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,029 - INFO - moving on ...
+2024-12-09 10:29:41,029 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:41,029 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:41,029 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:41,029 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,029 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:41,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,031 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,031 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:41,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:41,031 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:41,047 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,048 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,048 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:41,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:41,048 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,048 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:41,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,050 - INFO - number of orbitals:  79
+2024-12-09 10:29:41,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,050 - INFO - moving on ...
+2024-12-09 10:29:41,050 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:41,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,051 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,051 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,051 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:41,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:41,051 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:41,067 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,068 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,068 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:41,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:41,068 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,068 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:41,068 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:41,068 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:41,068 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,068 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:41,068 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,068 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,069 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,070 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,071 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,071 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:41,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:41,071 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:41,087 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,088 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,088 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:41,088 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,088 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,088 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,090 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,090 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:41,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:41,090 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:41,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,107 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,107 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:41,107 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,107 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,107 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,109 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,109 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,109 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:41,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:41,109 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:41,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,126 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,126 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:41,126 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,127 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,129 - INFO - number of orbitals:  76
+2024-12-09 10:29:41,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,129 - INFO - moving on ...
+2024-12-09 10:29:41,129 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:41,129 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,129 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,129 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,131 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,131 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,131 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:41,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:41,131 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:41,147 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,148 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,148 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:41,148 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,148 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,148 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,150 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,150 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,150 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:41,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:41,150 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:41,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,168 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,168 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:41,168 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,168 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,168 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,171 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,171 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:41,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:41,171 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:41,188 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,188 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,188 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:41,188 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,190 - INFO - number of orbitals:  76
+2024-12-09 10:29:41,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,191 - INFO - moving on ...
+2024-12-09 10:29:41,191 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:41,191 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,191 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,191 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,193 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,193 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,193 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:41,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:41,193 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:41,209 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,209 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,210 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:41,210 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,210 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,210 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,212 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,212 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,212 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:41,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:41,212 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:41,229 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,229 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,229 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:41,229 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,229 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,229 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,231 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,231 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,232 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:41,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:41,232 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:41,248 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,248 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,248 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:41,249 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,249 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,249 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,251 - INFO - number of orbitals:  76
+2024-12-09 10:29:41,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,251 - INFO - moving on ...
+2024-12-09 10:29:41,251 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:41,251 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:41,251 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:41,251 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,251 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:41,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,252 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,252 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,252 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:41,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:41,253 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:41,269 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,270 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,270 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:41,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:41,270 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,270 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:41,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,271 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,271 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,272 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:41,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:41,272 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:41,288 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,289 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,289 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:41,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:41,289 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,289 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:41,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,291 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,291 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,291 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:41,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:41,291 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:41,307 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,308 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,308 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:41,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:41,308 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,308 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:41,308 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:41,308 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:41,308 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,308 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:41,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,310 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,310 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,310 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:41,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:41,310 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:41,326 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,327 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,327 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:41,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:41,327 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,327 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:41,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,329 - INFO - number of orbitals:  110
+2024-12-09 10:29:41,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,329 - INFO - moving on ...
+2024-12-09 10:29:41,329 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:41,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,330 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,330 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,330 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:41,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:41,330 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:41,346 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,347 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,347 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:41,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:41,347 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,347 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:41,347 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:41,347 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:41,347 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,347 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:41,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,349 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,349 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,349 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:41,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:41,349 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:41,365 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,366 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,366 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:41,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:41,366 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,366 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:41,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,368 - INFO - number of orbitals:  110
+2024-12-09 10:29:41,368 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,368 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,368 - INFO - moving on ...
+2024-12-09 10:29:41,368 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:41,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,369 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,369 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:41,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:41,369 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:41,386 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,386 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,386 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:41,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:41,387 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,387 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:41,387 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:41,387 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:41,387 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,387 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:41,387 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,387 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,387 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,389 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,389 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,389 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:41,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:41,390 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:41,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,407 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,407 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:41,407 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,407 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,407 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,409 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,409 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:41,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:41,409 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:41,426 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,427 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,427 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:41,427 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,427 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,427 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,429 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,429 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,429 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:41,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:41,429 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:41,446 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,446 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,446 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:41,446 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,446 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,447 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,448 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,448 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,449 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:41,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:41,449 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:41,465 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,466 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,466 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:41,466 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,466 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,466 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,468 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,468 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,468 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:41,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:41,468 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:41,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,485 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,485 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:41,485 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,485 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,485 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,487 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,487 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,487 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:41,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:41,487 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:41,504 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,504 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,504 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:41,504 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,504 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,505 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,507 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,507 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:41,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:41,507 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:41,524 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,524 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,525 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:41,525 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,525 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,525 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,527 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,527 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,527 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:41,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:41,527 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:41,544 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,544 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,544 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:41,544 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:41,545 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:41,545 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:41,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,547 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,547 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:41,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:41,547 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:41,563 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,563 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,563 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:41,564 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:41,564 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:41,564 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,564 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:41,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,565 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,565 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:41,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:41,565 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:41,582 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,582 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,582 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:41,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:41,582 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,582 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:41,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,584 - INFO - number of orbitals:  88
+2024-12-09 10:29:41,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,584 - INFO - moving on ...
+2024-12-09 10:29:41,584 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:41,584 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:41,584 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:41,584 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,584 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:41,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,585 - INFO - number of orbitals:  76
+2024-12-09 10:29:41,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,586 - INFO - moving on ...
+2024-12-09 10:29:41,586 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:41,586 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:41,586 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:41,586 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,586 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:41,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,587 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,587 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,587 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:41,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:41,587 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:41,603 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,604 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,604 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:41,604 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:41,604 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:41,604 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,604 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:41,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,606 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,606 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,606 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:41,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:41,606 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:41,622 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,623 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,623 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:41,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:41,623 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,623 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:41,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,624 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,624 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,624 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:41,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:41,625 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:41,643 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,644 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,644 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:41,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:41,644 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,644 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:41,644 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:41,644 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:41,644 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,644 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:41,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,647 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,647 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,647 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:41,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:41,647 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:41,669 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,670 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,670 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:41,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:41,670 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,670 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:41,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,672 - INFO - number of orbitals:  90
+2024-12-09 10:29:41,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,672 - INFO - moving on ...
+2024-12-09 10:29:41,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:41,673 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:41,673 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:41,673 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,673 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:41,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,675 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,675 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,675 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:41,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:41,675 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:41,699 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,699 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,700 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:41,700 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:41,700 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:41,700 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,700 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:41,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,702 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,702 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,702 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:41,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:41,702 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:41,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,726 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,727 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:41,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:41,727 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,727 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:41,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,729 - INFO - number of orbitals:  88
+2024-12-09 10:29:41,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,729 - INFO - moving on ...
+2024-12-09 10:29:41,729 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:41,730 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:41,730 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:41,730 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,730 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:41,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,731 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,731 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,731 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:41,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:41,731 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:41,747 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,748 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,748 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:41,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:41,748 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,748 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:41,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,750 - INFO - number of orbitals:  106
+2024-12-09 10:29:41,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,750 - INFO - moving on ...
+2024-12-09 10:29:41,750 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:41,750 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:41,750 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:41,750 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,750 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:41,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,751 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,751 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,751 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:41,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:41,751 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:41,768 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,769 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,769 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:41,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:41,769 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,769 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:41,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,770 - INFO - number of orbitals:  118
+2024-12-09 10:29:41,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,770 - INFO - moving on ...
+2024-12-09 10:29:41,770 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:41,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,772 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,772 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,772 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:41,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:41,772 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:41,788 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,789 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,789 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:41,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:41,789 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,789 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:41,789 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:41,789 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:41,789 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,789 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:41,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,791 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,791 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,791 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:41,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:41,791 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:41,807 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,808 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,808 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:41,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:41,808 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,808 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:41,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,810 - INFO - number of orbitals:  114
+2024-12-09 10:29:41,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,810 - INFO - moving on ...
+2024-12-09 10:29:41,810 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:41,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,811 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,811 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,811 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:41,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:41,811 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:41,827 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,827 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,827 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:41,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:41,827 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,827 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:41,828 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:41,828 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:41,828 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,828 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:41,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,829 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,829 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,829 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:41,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:41,829 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:41,845 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,846 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,846 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:41,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:41,846 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,846 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:41,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,847 - INFO - number of orbitals:  115
+2024-12-09 10:29:41,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,847 - INFO - moving on ...
+2024-12-09 10:29:41,847 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:41,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,849 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,849 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,849 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:41,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:41,849 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:41,865 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,866 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,866 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:41,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:41,866 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,866 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:41,866 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:41,866 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:41,866 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,866 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:41,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,868 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,868 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:41,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:41,868 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:41,884 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,884 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,884 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:41,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:41,884 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,884 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:41,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,886 - INFO - number of orbitals:  78
+2024-12-09 10:29:41,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,886 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,886 - INFO - moving on ...
+2024-12-09 10:29:41,886 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:41,886 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:41,886 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:41,886 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,886 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:41,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,888 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,888 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,888 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:41,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:41,888 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:41,904 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,905 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,905 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:41,905 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:41,905 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,905 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:41,905 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:41,905 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:41,905 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,905 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:41,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,907 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,907 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,907 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:41,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:41,907 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:41,923 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,923 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,923 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:41,923 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:41,923 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:41,923 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,923 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:41,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,925 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,925 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,925 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:41,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:41,925 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:41,942 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,942 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,942 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:41,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:41,942 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,942 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:41,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,944 - INFO - number of orbitals:  86
+2024-12-09 10:29:41,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,944 - INFO - moving on ...
+2024-12-09 10:29:41,944 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:41,944 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:41,944 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:41,944 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,944 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:41,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,946 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,946 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:41,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:41,946 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:41,962 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,962 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,962 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:41,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:41,963 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:41,963 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:41,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,964 - INFO - number of orbitals:  88
+2024-12-09 10:29:41,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:41,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:41,964 - INFO - moving on ...
+2024-12-09 10:29:41,964 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:41,965 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:41,965 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:41,965 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,965 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:41,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,966 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,966 - INFO - number of supporting files: 1
+2024-12-09 10:29:41,966 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:41,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:41,966 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:41,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:41,983 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:41,983 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:41,983 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:41,983 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:41,983 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:41,983 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:41,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:41,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:41,984 - INFO - number of supporting files: 2
+2024-12-09 10:29:41,984 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:41,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:41,985 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:42,000 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,001 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,001 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:42,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:42,001 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,001 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:42,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,002 - INFO - number of orbitals:  88
+2024-12-09 10:29:42,002 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,003 - INFO - moving on ...
+2024-12-09 10:29:42,003 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:42,003 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:42,003 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:42,003 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,003 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:42,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,004 - INFO - number of orbitals:  76
+2024-12-09 10:29:42,004 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,004 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,004 - INFO - moving on ...
+2024-12-09 10:29:42,005 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:42,005 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:42,005 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:42,005 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,005 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:42,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,006 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,006 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,006 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:42,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:42,006 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:42,022 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,022 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,022 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:42,022 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:42,022 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:42,022 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,022 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:42,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,024 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,024 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,024 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:42,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:42,024 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:42,039 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,040 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,040 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:42,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:42,040 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,040 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:42,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,041 - INFO - number of orbitals:  116
+2024-12-09 10:29:42,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,041 - INFO - moving on ...
+2024-12-09 10:29:42,041 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:42,041 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:42,042 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:42,042 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,042 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:42,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,043 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,043 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,043 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:42,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:42,043 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:42,059 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,059 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,059 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:42,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:42,059 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,059 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:42,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,060 - INFO - number of orbitals:  88
+2024-12-09 10:29:42,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,061 - INFO - moving on ...
+2024-12-09 10:29:42,061 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:42,061 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:42,061 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:42,061 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,061 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:42,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,062 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,062 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,062 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:42,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:42,062 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:42,078 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,078 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,079 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:42,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:42,079 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,079 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:42,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,080 - INFO - number of orbitals:  88
+2024-12-09 10:29:42,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,080 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,080 - INFO - moving on ...
+2024-12-09 10:29:42,080 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:42,080 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:42,080 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:42,080 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,080 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:42,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,082 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,082 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,082 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:42,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:42,082 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:42,098 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,098 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,098 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:42,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:42,098 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,098 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:42,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,099 - INFO - number of orbitals:  110
+2024-12-09 10:29:42,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,100 - INFO - moving on ...
+2024-12-09 10:29:42,100 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:42,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,101 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,101 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:42,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:42,101 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:42,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,117 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,117 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:42,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:42,117 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,117 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:42,117 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:42,117 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:42,118 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,118 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:42,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,119 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,119 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,119 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:42,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:42,119 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:42,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,136 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,136 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:42,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:42,136 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,136 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:42,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,137 - INFO - number of orbitals:  135
+2024-12-09 10:29:42,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,138 - INFO - moving on ...
+2024-12-09 10:29:42,138 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:42,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,139 - INFO - number of orbitals:  88
+2024-12-09 10:29:42,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,139 - INFO - moving on ...
+2024-12-09 10:29:42,139 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:42,140 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:42,140 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:42,140 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,140 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:42,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,141 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,142 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:42,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:42,142 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:42,157 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,157 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,157 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:42,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:42,158 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,158 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:42,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,159 - INFO - number of orbitals:  119
+2024-12-09 10:29:42,159 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,159 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,159 - INFO - moving on ...
+2024-12-09 10:29:42,159 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:42,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,160 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,160 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,160 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:42,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:42,160 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:42,176 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,176 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,176 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:42,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:42,176 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,176 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:42,176 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:42,176 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:42,177 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,177 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:42,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,178 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,178 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,178 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:42,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:42,178 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:42,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,194 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,194 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:42,194 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:42,194 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,194 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:42,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,195 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,195 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,195 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:42,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:42,195 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:42,210 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,211 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,211 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:42,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:42,211 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,211 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:42,211 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:42,211 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:42,211 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,211 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:42,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,212 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,212 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,213 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:42,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:42,213 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:42,229 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,230 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,230 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:42,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:42,230 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,230 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:42,230 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:42,230 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:42,230 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,230 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:42,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,232 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,232 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,232 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:42,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:42,232 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:42,248 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,248 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,249 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:42,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:42,249 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,249 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:42,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,250 - INFO - number of orbitals:  89
+2024-12-09 10:29:42,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,250 - INFO - moving on ...
+2024-12-09 10:29:42,250 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:42,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,251 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,252 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,252 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:42,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:42,252 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:42,268 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,268 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,268 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:42,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:42,268 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,268 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:42,269 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:42,269 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:42,269 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,269 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:42,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,270 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,270 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,270 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:42,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:42,271 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:42,288 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,288 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,288 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:42,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:42,288 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,289 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:42,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,290 - INFO - number of orbitals:  94
+2024-12-09 10:29:42,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,290 - INFO - moving on ...
+2024-12-09 10:29:42,290 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:42,291 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:42,291 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:42,291 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,291 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:42,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,292 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,292 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:42,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:42,292 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:42,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,309 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,309 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:42,309 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:42,309 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:42,309 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,309 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:42,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,311 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,311 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:42,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:42,311 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:42,327 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,327 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,328 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:42,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:42,328 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,328 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:42,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,329 - INFO - number of orbitals:  79
+2024-12-09 10:29:42,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,329 - INFO - moving on ...
+2024-12-09 10:29:42,329 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:42,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,331 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,331 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:42,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:42,331 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:42,347 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,347 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,347 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:42,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:42,347 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,348 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:42,348 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:42,348 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:42,348 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,348 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:42,348 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,348 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,348 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,350 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,350 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,350 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:42,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:42,350 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:42,366 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,367 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,367 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:42,367 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,367 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,367 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,369 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,369 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:42,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:42,369 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:42,385 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,385 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,385 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:42,385 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,385 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,385 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,387 - INFO - number of orbitals:  90
+2024-12-09 10:29:42,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,388 - INFO - moving on ...
+2024-12-09 10:29:42,388 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:42,388 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,388 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,388 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,390 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,390 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:42,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:42,390 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:42,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,407 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,407 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:42,407 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,407 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,407 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,409 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,409 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:42,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:42,409 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:42,424 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,424 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,424 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:42,424 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,425 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,425 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,426 - INFO - number of orbitals:  90
+2024-12-09 10:29:42,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,426 - INFO - moving on ...
+2024-12-09 10:29:42,426 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:42,427 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:42,427 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:42,427 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,427 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:42,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,428 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,428 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:42,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:42,428 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:42,446 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,447 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,447 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:42,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:42,447 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,447 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:42,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,449 - INFO - number of orbitals:  115
+2024-12-09 10:29:42,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,449 - INFO - moving on ...
+2024-12-09 10:29:42,449 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:42,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,451 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,451 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,451 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:42,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:42,451 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:42,468 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,468 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,469 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:42,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:42,469 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,469 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:42,469 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:42,469 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:42,469 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,469 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:42,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,470 - INFO - number of orbitals:  76
+2024-12-09 10:29:42,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,471 - INFO - moving on ...
+2024-12-09 10:29:42,471 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:42,471 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:42,471 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:42,471 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,471 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:42,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,472 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,472 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,472 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:42,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:42,472 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:42,489 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,490 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,490 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:42,490 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:42,490 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:42,490 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,490 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:42,490 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,490 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,490 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,492 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,492 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,493 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:42,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:42,493 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:42,511 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,511 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,511 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:42,511 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,511 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,511 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,513 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,513 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,513 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:42,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:42,513 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:42,530 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,530 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,530 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:42,530 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,530 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,530 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,532 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,532 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,532 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:42,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:42,533 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:42,549 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,549 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,550 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:42,550 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,550 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,550 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,552 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,552 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,552 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:42,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:42,552 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:42,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,569 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,569 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:42,569 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,569 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,569 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,571 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,571 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,571 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:42,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:42,571 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:42,587 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,587 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,587 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:42,588 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,588 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,588 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,590 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,590 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:42,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:42,590 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:42,606 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,606 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,606 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:42,607 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:42,607 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:42,607 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,607 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:42,607 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,607 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,607 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,609 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,609 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:42,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:42,609 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:42,624 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,625 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,625 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:42,625 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,625 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,625 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,627 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,627 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,627 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:42,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:42,627 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:42,643 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,644 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,644 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:42,644 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,644 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,644 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,646 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,646 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,646 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:42,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:42,646 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:42,661 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,662 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,662 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:42,662 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:42,662 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:42,662 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,662 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:42,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,663 - INFO - number of orbitals:  76
+2024-12-09 10:29:42,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,664 - INFO - moving on ...
+2024-12-09 10:29:42,664 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:42,664 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:42,664 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:42,664 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,664 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:42,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,664 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,664 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,666 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,666 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:42,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:42,666 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:42,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,682 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,682 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:42,682 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,682 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,684 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,684 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,685 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:42,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:42,685 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:42,700 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,701 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,701 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:42,701 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,701 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,701 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,703 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,703 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,703 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:42,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:42,703 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:42,719 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,719 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,719 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:42,719 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,719 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,719 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,721 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,721 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,721 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:42,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:42,721 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:42,738 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,738 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,738 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:42,738 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,739 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,739 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,740 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,741 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,741 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:42,741 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:42,741 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:42,757 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,757 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,758 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:42,758 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,758 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,758 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,760 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,760 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,760 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:42,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:42,760 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:42,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,777 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,777 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:42,777 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,777 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,777 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,779 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,779 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,779 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:42,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:42,779 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:42,798 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,799 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,799 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:42,799 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,799 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,799 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,801 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,801 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,801 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:42,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:42,802 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:42,825 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,825 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,825 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:42,826 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,828 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,828 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,828 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:42,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:42,829 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:42,845 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,845 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,845 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:42,846 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,846 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,846 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,847 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,848 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,848 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:42,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:42,848 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:42,864 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,864 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,864 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:42,864 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,864 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,864 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,866 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,866 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,866 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:42,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:42,866 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:42,882 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,883 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,883 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:42,883 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,883 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,883 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,885 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,885 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,885 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:42,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:42,885 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:42,901 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,902 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,902 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:42,902 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,902 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,902 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,904 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,904 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,904 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:42,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:42,904 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:42,920 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,920 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,920 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:42,920 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,921 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,921 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,922 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,923 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,923 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:42,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:42,923 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:42,938 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,939 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,939 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:42,939 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,939 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,939 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,941 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,941 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,941 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:42,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:42,941 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:42,956 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,956 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,956 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:42,956 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:42,956 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:42,956 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:42,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,958 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,958 - INFO - number of supporting files: 1
+2024-12-09 10:29:42,958 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:42,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:42,958 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:42,973 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,974 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,974 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:42,974 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:42,974 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:42,974 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,974 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:42,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,975 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,976 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,976 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:42,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:42,976 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:42,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:42,991 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:42,991 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:42,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:42,991 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:42,991 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:42,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,993 - INFO - number of orbitals:  90
+2024-12-09 10:29:42,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
+2024-12-09 10:29:42,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:42,993 - INFO - moving on ...
+2024-12-09 10:29:42,993 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:42,993 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:42,993 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:42,993 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:42,993 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:42,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:42,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:42,994 - INFO - number of supporting files: 2
+2024-12-09 10:29:42,994 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:42,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:42,995 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:43,010 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,010 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,010 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:43,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:43,010 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,010 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:43,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,012 - INFO - number of orbitals:  118
+2024-12-09 10:29:43,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,012 - INFO - moving on ...
+2024-12-09 10:29:43,012 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:43,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,013 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,013 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:43,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:43,013 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:43,028 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,028 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,028 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:43,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:43,029 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,029 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:43,029 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:43,029 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:43,029 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,029 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:43,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,030 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,030 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,030 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:43,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:43,030 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:43,045 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,045 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,045 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:43,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:43,046 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,046 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:43,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,047 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,047 - INFO - moving on ...
+2024-12-09 10:29:43,047 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:43,047 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:43,047 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:43,047 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,047 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:43,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,048 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,049 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,049 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:43,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:43,049 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,065 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,065 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,065 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:43,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:43,065 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,065 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:43,066 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:43,066 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:43,066 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,066 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:43,066 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,066 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,066 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,068 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,068 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:43,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:43,068 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:43,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,084 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,084 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:43,084 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,084 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,084 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,086 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,086 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:43,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:43,086 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:43,102 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,102 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,102 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:43,102 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,102 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,102 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,104 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,104 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:43,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:43,104 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,120 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,121 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,121 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:43,121 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,121 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,121 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,123 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,123 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:43,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:43,123 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,139 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,139 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:43,139 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,139 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,139 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,141 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,141 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:43,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:43,141 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:43,157 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,157 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,157 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:43,157 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,158 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,158 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,160 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,160 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:43,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:43,160 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:43,176 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,176 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,176 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:43,177 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,177 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,177 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,179 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,179 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,179 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:43,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:43,179 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:43,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,195 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,195 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:43,195 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,196 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,196 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,197 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,197 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,198 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:43,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:43,198 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:43,213 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,214 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,214 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:43,214 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,214 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,214 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,216 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,216 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:43,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:43,216 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:43,231 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,232 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,232 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:43,232 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,232 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,232 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,234 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,234 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,234 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:43,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:43,234 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:43,250 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,251 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,251 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:43,251 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,251 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,251 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,253 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,253 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,253 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:43,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:43,253 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,269 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,270 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,270 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:43,270 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,270 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,270 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,272 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,272 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:43,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:43,272 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:43,288 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,289 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,289 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:43,289 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:43,289 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:43,289 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,289 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:43,289 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,289 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,289 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,291 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,292 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,292 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:43,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:43,292 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:43,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,309 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,309 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:43,309 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,309 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,309 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,311 - INFO - number of orbitals:  108
+2024-12-09 10:29:43,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,311 - INFO - moving on ...
+2024-12-09 10:29:43,311 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:43,312 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:43,312 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:43,312 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,312 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:43,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,313 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,313 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,313 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:43,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:43,313 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:43,330 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,331 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,331 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:43,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:43,331 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,331 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:43,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,332 - INFO - number of orbitals:  135
+2024-12-09 10:29:43,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,332 - INFO - moving on ...
+2024-12-09 10:29:43,332 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:43,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,334 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,334 - INFO - moving on ...
+2024-12-09 10:29:43,334 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:43,334 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:43,334 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:43,334 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,334 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:43,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,335 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,335 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,335 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:43,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:43,335 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:43,351 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,352 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,352 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:43,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:43,352 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,352 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:43,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,353 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,353 - INFO - moving on ...
+2024-12-09 10:29:43,353 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:43,354 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:43,354 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:43,354 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,354 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:43,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,355 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,355 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,355 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:43,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:43,355 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:43,370 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,371 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,371 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:43,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:43,371 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,371 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:43,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,372 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,372 - INFO - moving on ...
+2024-12-09 10:29:43,372 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:43,373 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:43,373 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:43,373 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,373 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:43,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,374 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,374 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:43,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:43,374 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:43,389 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,389 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,389 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:43,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:43,389 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,389 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:43,390 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:43,390 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:43,390 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,390 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:43,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,391 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,391 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,391 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:43,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:43,391 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:43,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,407 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,407 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:43,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:43,407 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,407 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:43,407 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:43,407 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:43,407 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,407 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:43,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,409 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,409 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:43,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:43,409 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:43,425 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,425 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,425 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:43,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:43,425 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,426 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:43,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,427 - INFO - number of orbitals:  118
+2024-12-09 10:29:43,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,427 - INFO - moving on ...
+2024-12-09 10:29:43,427 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:43,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,428 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,429 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,429 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:43,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:43,429 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:43,445 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,446 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,446 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:43,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:43,446 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,446 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:43,446 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:43,446 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:43,446 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,446 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:43,446 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,447 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,447 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,448 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,449 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,449 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:43,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:43,449 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,465 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,465 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,465 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:43,465 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,465 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,465 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,467 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,467 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,467 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:43,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:43,467 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:43,483 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,483 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,483 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:43,483 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,484 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,484 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,486 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,486 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:43,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:43,486 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:43,501 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,501 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,501 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:43,501 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,501 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,502 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,503 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,503 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,503 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:43,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:43,504 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:43,520 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,520 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,520 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:43,520 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,520 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,520 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,522 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,522 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,522 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:43,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:43,522 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:43,540 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,540 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,541 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:43,541 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,541 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,541 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,544 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,544 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:43,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:43,544 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:43,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,561 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,562 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:43,562 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,562 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,562 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,564 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,564 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,564 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:43,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:43,564 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:43,580 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,580 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,580 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:43,580 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,580 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,580 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,582 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,582 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:43,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:43,582 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:43,598 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,598 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,598 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:43,598 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:43,598 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:43,599 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,599 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:43,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,600 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,600 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,600 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:43,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:43,600 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:43,615 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,616 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,616 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:43,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:43,616 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,616 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:43,616 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:43,616 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:43,616 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,616 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:43,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,618 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,618 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,618 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:43,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:43,618 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:43,634 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,634 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,634 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:43,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:43,634 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,634 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:43,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,636 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,636 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,636 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:43,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:43,636 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:43,652 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,652 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,653 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:43,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:43,653 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,653 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:43,653 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:43,653 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:43,653 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,653 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:43,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,654 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,655 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,655 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:43,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:43,655 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:43,671 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,671 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,671 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:43,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:43,671 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,671 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:43,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,673 - INFO - number of orbitals:  119
+2024-12-09 10:29:43,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,674 - INFO - moving on ...
+2024-12-09 10:29:43,674 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:43,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,675 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,675 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,675 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:43,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:43,675 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:43,693 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,693 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,693 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:43,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:43,693 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,693 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:43,693 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:43,694 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:43,694 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,694 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:43,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,695 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,695 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,695 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:43,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:43,695 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:43,712 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,713 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,713 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:43,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:43,713 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,713 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:43,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,714 - INFO - number of orbitals:  135
+2024-12-09 10:29:43,714 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,714 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,714 - INFO - moving on ...
+2024-12-09 10:29:43,714 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:43,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,716 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,716 - INFO - moving on ...
+2024-12-09 10:29:43,716 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:43,716 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:43,716 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:43,716 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,716 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:43,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,717 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,717 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,717 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:43,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:43,717 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:43,734 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,734 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,734 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:43,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:43,734 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,734 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:43,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,736 - INFO - number of orbitals:  118
+2024-12-09 10:29:43,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,736 - INFO - moving on ...
+2024-12-09 10:29:43,736 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:43,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,737 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,737 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,737 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:43,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:43,738 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:43,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,755 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,755 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:43,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:43,755 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,755 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:43,755 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:43,755 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:43,755 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,755 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:43,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,757 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,757 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,757 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:43,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:43,757 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:43,773 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,773 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,773 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:43,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:43,773 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,773 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:43,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,775 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,775 - INFO - moving on ...
+2024-12-09 10:29:43,775 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:43,775 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:43,775 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:43,775 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,775 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:43,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,776 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,776 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,776 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:43,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:43,777 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:43,793 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,793 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,793 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:43,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:43,793 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,794 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:43,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,795 - INFO - number of orbitals:  110
+2024-12-09 10:29:43,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,795 - INFO - moving on ...
+2024-12-09 10:29:43,795 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:43,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,796 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,797 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,797 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:43,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:43,797 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:43,812 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,813 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,813 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:43,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:43,813 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,813 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:43,813 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:43,813 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:43,813 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,813 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:43,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,815 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,815 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,815 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:43,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:43,815 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:43,831 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,832 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,832 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:43,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:43,832 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,832 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:43,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,834 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,834 - INFO - moving on ...
+2024-12-09 10:29:43,834 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:43,834 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:43,834 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:43,834 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,834 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:43,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,835 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,835 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:43,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:43,835 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:43,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,852 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,852 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:43,853 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:43,853 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:43,853 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,853 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:43,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,854 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,854 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,854 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:43,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:43,855 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:43,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,871 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,871 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:43,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:43,871 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,871 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:43,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,873 - INFO - number of orbitals:  88
+2024-12-09 10:29:43,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,873 - INFO - moving on ...
+2024-12-09 10:29:43,873 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:43,873 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:43,873 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:43,873 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,873 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:43,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,874 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,874 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:43,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:43,875 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:43,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,890 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,891 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:43,891 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:43,891 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:43,891 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,891 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:43,891 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,891 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,891 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,893 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,893 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:43,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:43,893 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:43,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,910 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,910 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:43,910 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,910 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,910 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,912 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,912 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,912 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:43,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:43,913 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:43,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,929 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,929 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:43,929 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,929 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,929 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,931 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,931 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,931 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:43,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:43,931 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:43,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,947 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,947 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:43,947 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:43,947 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:43,948 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:43,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,949 - INFO - number of supporting files: 1
+2024-12-09 10:29:43,949 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:43,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:43,950 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:43,966 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,966 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,966 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:43,966 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:43,966 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:43,966 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:43,966 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:43,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,968 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,968 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,968 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:43,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:43,969 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:43,985 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:43,985 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:43,985 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:43,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:43,986 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:43,986 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:43,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,987 - INFO - number of orbitals:  85
+2024-12-09 10:29:43,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:43,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:43,987 - INFO - moving on ...
+2024-12-09 10:29:43,987 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:43,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:43,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:43,989 - INFO - number of supporting files: 2
+2024-12-09 10:29:43,989 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:43,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:43,989 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:44,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,005 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,005 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:44,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:44,005 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,005 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:44,006 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:44,006 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:44,006 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,006 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:44,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,007 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,007 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,007 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:44,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:44,007 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:44,023 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,024 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,024 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:44,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:44,024 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,024 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:44,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,025 - INFO - number of orbitals:  110
+2024-12-09 10:29:44,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,026 - INFO - moving on ...
+2024-12-09 10:29:44,026 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:44,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,027 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,027 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:44,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:44,027 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:44,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,043 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,043 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:44,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:44,043 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,044 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:44,044 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:44,044 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:44,044 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,044 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:44,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,045 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,045 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:44,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:44,045 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:44,061 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,062 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,062 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:44,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:44,062 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,062 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:44,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,064 - INFO - number of orbitals:  85
+2024-12-09 10:29:44,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,064 - INFO - moving on ...
+2024-12-09 10:29:44,064 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:44,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,065 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,065 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,065 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:44,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:44,065 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:44,081 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,081 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,082 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:44,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:44,082 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,082 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:44,082 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:44,082 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:44,082 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,082 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:44,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,083 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,083 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,083 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:44,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:44,084 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:44,100 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,100 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,100 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:44,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:44,100 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,100 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:44,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,102 - INFO - number of orbitals:  88
+2024-12-09 10:29:44,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,102 - INFO - moving on ...
+2024-12-09 10:29:44,102 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:44,102 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:44,102 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:44,102 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,102 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:44,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,103 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,103 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,103 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:44,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:44,103 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:44,119 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,120 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,120 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:44,120 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:44,120 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:44,120 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,120 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:44,120 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,121 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,121 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,123 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,123 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:44,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:44,123 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:44,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,140 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,140 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:44,140 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,140 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,140 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,142 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,142 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,142 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:44,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:44,142 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:44,158 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,158 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,158 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:44,158 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,158 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,158 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,160 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,160 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,160 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:44,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:44,160 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:44,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,177 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,177 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:44,177 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,177 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,177 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,179 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,179 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,179 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:44,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:44,179 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:44,196 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,196 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,197 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:44,197 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,197 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,197 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,199 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,199 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,199 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:44,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:44,199 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:44,216 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,216 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,216 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:44,216 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,216 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,216 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,218 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,218 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:44,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:44,218 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:44,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,235 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,235 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:44,236 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,236 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,236 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,238 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,238 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,238 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:44,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:44,238 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:44,254 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,255 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,255 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:44,255 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,255 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,255 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,257 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,257 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,257 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:44,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:44,257 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:44,274 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,274 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,274 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:44,274 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,274 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,274 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,276 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,276 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,276 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:44,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:44,276 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:44,293 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,294 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,294 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:44,294 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:44,294 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:44,294 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,294 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:44,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,296 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,296 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:44,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:44,296 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:44,312 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,312 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,313 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:44,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:44,313 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,313 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:44,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,314 - INFO - number of orbitals:  88
+2024-12-09 10:29:44,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,314 - INFO - moving on ...
+2024-12-09 10:29:44,314 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:44,315 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:44,315 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:44,315 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,315 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:44,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,316 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,316 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:44,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:44,316 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:44,332 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,332 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,333 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:44,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:44,333 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,333 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:44,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,334 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,334 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,334 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:44,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:44,334 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:44,351 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,351 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,351 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:44,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:44,352 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,352 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:44,352 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:44,352 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:44,352 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,352 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:44,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,353 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,353 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,353 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:44,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:44,353 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:44,371 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,371 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,371 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:44,371 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:44,371 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:44,371 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,371 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:44,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,373 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,373 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,373 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:44,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:44,373 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:44,390 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,390 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,391 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:44,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:44,391 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,391 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:44,391 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:44,391 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:44,391 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,391 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:44,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,393 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,393 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,393 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:44,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:44,393 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:44,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,410 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,410 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:44,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:44,410 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,410 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:44,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,412 - INFO - number of orbitals:  116
+2024-12-09 10:29:44,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,412 - INFO - moving on ...
+2024-12-09 10:29:44,412 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:44,412 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:44,412 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:44,412 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,412 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:44,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,414 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,414 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,414 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:44,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:44,414 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:44,431 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,431 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,431 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:44,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:44,432 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,432 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:44,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,433 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,433 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:44,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:44,434 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:44,450 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,451 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,451 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:44,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:44,451 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,451 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:44,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,453 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,453 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:44,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:44,453 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:44,469 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,469 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,470 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:44,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:44,470 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,470 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:44,470 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:44,470 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:44,470 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,470 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:44,470 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,470 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,470 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,472 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,472 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,472 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:44,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:44,472 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:44,489 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,489 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,489 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:44,489 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,489 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,489 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,491 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,491 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,491 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:44,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:44,491 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:44,508 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,508 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,508 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:44,508 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,508 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,508 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,510 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,510 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,510 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:44,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:44,510 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:44,526 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,527 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,527 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:44,527 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,527 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,527 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,529 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,529 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,529 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:44,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:44,529 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:29:44,545 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,545 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,545 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:44,546 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,546 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,546 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,548 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,548 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,548 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:44,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:44,548 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:44,564 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,564 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,565 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:44,565 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,565 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,565 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,567 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,567 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,567 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:44,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:44,567 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:44,583 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,584 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,584 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:44,584 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,584 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,584 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,586 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,586 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,586 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:44,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:44,586 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:44,602 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,602 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,602 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:44,602 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,605 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,605 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,605 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:29:44,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:29:44,605 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:29:44,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,621 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,622 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:44,622 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,622 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,622 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,624 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,624 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,624 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:44,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:44,624 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:44,639 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,640 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,640 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:44,640 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,640 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,640 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,642 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,642 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,642 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:44,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:44,642 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:44,657 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,657 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,657 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:44,657 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,658 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,658 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,659 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,659 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,659 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:44,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:44,660 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:44,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,676 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,676 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:44,676 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,678 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,678 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,678 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:29:44,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:29:44,678 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:29:44,694 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,695 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,695 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:44,695 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:44,695 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:44,695 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,695 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:44,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,696 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,696 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,697 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:44,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:44,697 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:44,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,713 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,713 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:44,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:44,714 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,714 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:44,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,715 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,715 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:44,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:44,716 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:44,732 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,732 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,732 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:44,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:44,732 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,732 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:44,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,734 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,734 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,734 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:44,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:44,734 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:44,750 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,751 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,751 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:44,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:44,751 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,751 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:44,751 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:44,751 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:44,751 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,751 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:44,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,753 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,753 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:44,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:44,753 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:44,770 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,771 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,771 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:44,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:44,771 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,771 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:44,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,772 - INFO - number of orbitals:  110
+2024-12-09 10:29:44,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,772 - INFO - moving on ...
+2024-12-09 10:29:44,772 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:44,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,774 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,774 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,774 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:44,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:44,774 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:44,790 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,791 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,791 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:44,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:44,791 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,791 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:44,791 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:44,792 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:44,792 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,792 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:44,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,793 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,793 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,793 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:44,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:44,794 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:44,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,811 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,811 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:44,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:44,811 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,811 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:44,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,813 - INFO - number of orbitals:  110
+2024-12-09 10:29:44,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:44,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:44,813 - INFO - moving on ...
+2024-12-09 10:29:44,813 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:44,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,814 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,814 - INFO - number of supporting files: 2
+2024-12-09 10:29:44,814 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:44,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:44,814 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:44,831 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,832 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,832 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:44,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:44,832 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:44,832 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:44,832 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:44,832 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:44,832 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:44,832 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:44,832 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,832 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,833 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,835 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,835 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:44,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:44,835 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:44,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,852 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,852 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:44,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,855 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,855 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:44,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:44,855 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:44,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,872 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,872 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:44,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,875 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,875 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:44,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:44,875 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:44,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,892 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,892 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:44,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,894 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,894 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:44,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:44,894 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:44,910 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,911 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,911 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:44,911 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,911 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,911 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,913 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,913 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:44,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:44,913 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:44,929 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,930 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,930 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:44,930 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,930 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,930 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,932 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,932 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:44,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:44,932 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:44,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,949 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,949 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:44,949 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,949 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,949 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,951 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,951 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,951 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:44,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:44,952 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:44,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,968 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,968 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:44,968 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,968 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,968 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,970 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,970 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,971 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:44,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:44,971 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:44,986 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:44,987 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:44,987 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:44,987 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:44,987 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:44,987 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:44,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:44,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:44,989 - INFO - number of supporting files: 1
+2024-12-09 10:29:44,989 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:44,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:44,989 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:45,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,006 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,006 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:45,006 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:45,006 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:45,006 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,006 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:45,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,008 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,008 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,008 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:45,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:45,008 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:45,024 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,024 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,024 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:45,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:45,025 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,025 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:45,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,026 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,026 - INFO - moving on ...
+2024-12-09 10:29:45,027 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:45,027 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:45,027 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:45,027 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,027 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:45,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,028 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,028 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,028 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:29:45,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:29:45,028 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:29:45,044 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,045 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,045 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:29:45,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:29:45,045 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,045 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:45,045 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:45,045 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:45,045 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,045 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:45,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,047 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,047 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,047 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:45,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:45,047 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:45,062 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,063 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,063 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:45,063 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:45,063 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:45,063 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,063 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:45,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,065 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,065 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:45,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:45,065 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:45,082 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,082 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,082 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:45,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:45,082 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,082 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:45,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,084 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,084 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,084 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:45,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:45,084 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:45,100 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,100 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,101 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:45,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:45,101 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,101 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:45,101 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:45,101 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:45,101 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,101 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:45,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,102 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,102 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,102 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:45,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:45,103 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:45,118 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,118 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,118 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:45,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:45,118 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,118 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:45,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,120 - INFO - number of orbitals:  90
+2024-12-09 10:29:45,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,120 - INFO - moving on ...
+2024-12-09 10:29:45,120 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:45,120 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:45,120 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:45,120 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,120 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:45,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,122 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,122 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,122 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:45,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:45,122 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:45,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,139 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,139 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:45,139 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:45,139 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:45,139 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,140 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:45,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,141 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,141 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:45,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:45,141 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:45,158 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,158 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,158 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:45,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:45,158 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,158 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:45,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,160 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,160 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,160 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,160 - INFO - moving on ...
+2024-12-09 10:29:45,160 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:45,160 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:45,160 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:45,160 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,160 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:45,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,161 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,161 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:45,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:45,161 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:45,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,177 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,177 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:45,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:45,177 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,177 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:45,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,179 - INFO - number of orbitals:  106
+2024-12-09 10:29:45,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,179 - INFO - moving on ...
+2024-12-09 10:29:45,179 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:45,179 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:45,179 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:45,179 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,179 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:45,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,180 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,180 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,180 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:45,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:45,180 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:45,197 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,197 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,197 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:45,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:45,198 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,198 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:45,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,199 - INFO - number of orbitals:  118
+2024-12-09 10:29:45,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,199 - INFO - moving on ...
+2024-12-09 10:29:45,199 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:45,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,201 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,201 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,201 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:45,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:45,201 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:45,216 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,216 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,217 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:45,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:45,217 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,217 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:45,217 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:45,217 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:45,217 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,217 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:45,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,218 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,219 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:45,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:45,219 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:45,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,235 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,235 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:45,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:45,236 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,236 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:45,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,237 - INFO - number of orbitals:  114
+2024-12-09 10:29:45,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,237 - INFO - moving on ...
+2024-12-09 10:29:45,237 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:45,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,238 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,239 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,239 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:45,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:45,239 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:45,255 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,255 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,255 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:45,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:45,256 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,256 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:45,256 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:45,256 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:45,256 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,256 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:45,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,257 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,258 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,258 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:45,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:45,258 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:45,275 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,275 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,275 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:45,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:45,275 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,275 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:45,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,277 - INFO - number of orbitals:  115
+2024-12-09 10:29:45,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,277 - INFO - moving on ...
+2024-12-09 10:29:45,277 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:45,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,278 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,278 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:45,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:45,278 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:45,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,295 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,295 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:45,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:45,296 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,296 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:45,296 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:45,296 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:45,296 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,296 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:45,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,298 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,298 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:45,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:45,298 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:45,314 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,315 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,315 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:45,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:45,315 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,315 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:45,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,317 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,317 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:29:45,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:29:45,317 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:29:45,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,334 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,334 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:29:45,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:29:45,334 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,334 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:45,334 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:45,334 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:45,334 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,334 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:45,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,336 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,336 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:45,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:45,336 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:45,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,354 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,354 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:45,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:45,354 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,354 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:45,354 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:45,354 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:45,354 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,354 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:45,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,356 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,356 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:45,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:45,356 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:45,372 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,372 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,372 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:45,372 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:45,372 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:45,372 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,372 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:45,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,374 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,374 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:45,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:45,374 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:45,390 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,391 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,391 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:45,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:45,391 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,391 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:45,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,393 - INFO - number of orbitals:  86
+2024-12-09 10:29:45,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,393 - INFO - moving on ...
+2024-12-09 10:29:45,393 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:45,393 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:45,393 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:45,393 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,393 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:45,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,394 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,395 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:45,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:45,395 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:45,411 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,411 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,412 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:45,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:45,412 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,412 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:45,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,413 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,413 - INFO - moving on ...
+2024-12-09 10:29:45,413 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:45,414 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:45,414 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:45,414 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,414 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:45,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,415 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,415 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,415 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:45,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:45,415 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:45,431 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,432 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,432 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:45,432 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:45,432 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:45,432 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,432 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:45,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,434 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,434 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,434 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:45,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:45,434 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:45,450 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,451 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,451 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:45,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:45,451 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,451 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:45,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,452 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,453 - INFO - moving on ...
+2024-12-09 10:29:45,453 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:45,453 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:45,453 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:45,453 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,453 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:45,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,454 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,454 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,454 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:29:45,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:29:45,454 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:29:45,471 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,471 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,471 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:29:45,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:29:45,472 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,472 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:45,472 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:45,472 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:45,472 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,472 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:45,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,473 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,473 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,473 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:45,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:45,474 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:45,490 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,491 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,491 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:45,491 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:45,491 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:45,491 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,491 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:45,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,493 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,493 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,493 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:45,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:45,493 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:45,510 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,510 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,510 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:45,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:45,510 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,510 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:45,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,512 - INFO - number of orbitals:  116
+2024-12-09 10:29:45,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,512 - INFO - moving on ...
+2024-12-09 10:29:45,512 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:45,512 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:45,512 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:45,512 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,512 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:45,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,514 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,514 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,514 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:45,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:45,514 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:45,531 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,531 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,531 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:45,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:45,531 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,531 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:45,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,533 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,533 - INFO - moving on ...
+2024-12-09 10:29:45,533 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:45,533 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:45,533 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:45,533 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,533 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:45,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,535 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,535 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:45,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:45,535 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:45,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,552 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,552 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:45,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:45,552 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,552 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:45,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,553 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,553 - INFO - moving on ...
+2024-12-09 10:29:45,553 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:45,554 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:45,554 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:45,554 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,554 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:45,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,555 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,555 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,555 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:45,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:45,555 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:45,572 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,572 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,572 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:45,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:45,572 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,572 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:45,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,574 - INFO - number of orbitals:  110
+2024-12-09 10:29:45,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,574 - INFO - moving on ...
+2024-12-09 10:29:45,574 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:45,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,575 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,576 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,576 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:45,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:45,576 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:45,592 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,592 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,592 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:45,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:45,593 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,593 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:45,593 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:45,593 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:45,593 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,593 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:45,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,594 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,594 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,595 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:45,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:45,595 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:45,611 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,612 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,612 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:45,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:45,612 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,612 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:45,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,613 - INFO - number of orbitals:  135
+2024-12-09 10:29:45,613 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,613 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,613 - INFO - moving on ...
+2024-12-09 10:29:45,613 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:45,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,615 - INFO - number of orbitals:  88
+2024-12-09 10:29:45,615 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,615 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,615 - INFO - moving on ...
+2024-12-09 10:29:45,615 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:45,615 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:45,615 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:45,615 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,615 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:45,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,616 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,617 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,617 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:45,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:45,617 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:45,634 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,634 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,634 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:45,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:45,634 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,634 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:45,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,636 - INFO - number of orbitals:  119
+2024-12-09 10:29:45,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,636 - INFO - moving on ...
+2024-12-09 10:29:45,636 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:45,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,637 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,637 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,637 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:45,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:45,638 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:45,654 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,655 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,655 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:45,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:45,655 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,655 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:45,655 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:45,655 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:45,655 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,655 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:45,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,657 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,657 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,657 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:45,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:45,657 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:45,674 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,674 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,674 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:45,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:45,674 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,674 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:45,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,676 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,676 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,676 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:45,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:45,676 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:45,693 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,694 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,694 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:45,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:45,694 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,694 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:45,694 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:45,694 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:45,694 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,694 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:45,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,696 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,696 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,696 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:45,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:45,696 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:45,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,713 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,713 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:45,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:45,714 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,714 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:45,714 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:45,714 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:45,714 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,714 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:45,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,715 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,715 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:45,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:45,716 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:45,734 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,734 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,734 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:45,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:45,734 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,734 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:45,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,736 - INFO - number of orbitals:  89
+2024-12-09 10:29:45,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,736 - INFO - moving on ...
+2024-12-09 10:29:45,736 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:45,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,737 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,737 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,737 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:45,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:45,737 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:45,753 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,754 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,754 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:45,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:45,754 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,754 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:45,754 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:45,754 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:45,754 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,754 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:45,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,756 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,756 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:45,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:45,756 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:45,772 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,773 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,773 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:45,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:45,773 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,773 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:45,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,774 - INFO - number of orbitals:  94
+2024-12-09 10:29:45,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,775 - INFO - moving on ...
+2024-12-09 10:29:45,775 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:45,775 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:45,775 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:45,775 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,775 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:45,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,776 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,776 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,776 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:45,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:45,776 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:45,793 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,793 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,793 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:45,794 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:45,794 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:45,794 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,794 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:45,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,795 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,795 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,795 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:45,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:45,796 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:45,812 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,812 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,812 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:45,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:45,812 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,812 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:45,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,814 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,814 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,814 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:29:45,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:29:45,814 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:29:45,830 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,831 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,831 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:29:45,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:29:45,831 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,831 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:45,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,832 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,832 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,832 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:45,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:45,833 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:45,849 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,850 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,850 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:45,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:45,850 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,850 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:45,850 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:45,850 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:45,850 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,850 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:45,850 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,850 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,850 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,852 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,852 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,853 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:45,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:45,853 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:45,869 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,870 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,870 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:45,870 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,870 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,870 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,872 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,872 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:45,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:45,872 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:45,889 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,889 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,889 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:45,889 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,889 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,889 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,891 - INFO - number of orbitals:  90
+2024-12-09 10:29:45,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,891 - INFO - moving on ...
+2024-12-09 10:29:45,891 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:45,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,893 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,894 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:45,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:45,894 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:45,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,910 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,910 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:45,910 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,910 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,910 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,912 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,912 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,912 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:45,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:45,912 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:45,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,928 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,928 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:45,928 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:45,928 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:45,928 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:45,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,930 - INFO - number of orbitals:  90
+2024-12-09 10:29:45,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,931 - INFO - moving on ...
+2024-12-09 10:29:45,931 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:45,931 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:45,931 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:45,931 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,931 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:45,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,932 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,932 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:45,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:45,932 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:45,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,949 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,949 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:45,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:45,949 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,949 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:45,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,951 - INFO - number of orbitals:  115
+2024-12-09 10:29:45,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:45,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:45,951 - INFO - moving on ...
+2024-12-09 10:29:45,951 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:45,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,952 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,952 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:45,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:45,952 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:45,968 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,968 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,968 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:45,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:45,968 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,968 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:45,969 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:45,969 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:45,969 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,969 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:45,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,970 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,970 - INFO - number of supporting files: 2
+2024-12-09 10:29:45,970 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:29:45,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:29:45,970 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:29:45,987 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:45,987 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:45,987 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:29:45,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:29:45,987 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:45,987 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:45,987 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:45,987 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:45,987 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:45,987 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:45,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:45,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:45,989 - INFO - number of supporting files: 1
+2024-12-09 10:29:45,989 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:45,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:45,989 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:46,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,006 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,006 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:46,006 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:46,006 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:46,006 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,006 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:46,006 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,007 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,007 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,008 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,009 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,009 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:46,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:46,009 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:46,025 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,025 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,025 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:46,025 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,025 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,025 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,027 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,027 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:46,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:46,027 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:46,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,043 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,043 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:46,043 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,044 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,044 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,046 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,046 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,046 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:46,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:46,046 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,062 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,062 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,062 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:46,062 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,063 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,063 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,065 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,065 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:46,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:46,065 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:46,080 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,081 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,081 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:46,081 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,081 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,081 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,083 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,083 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,083 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:46,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:46,083 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:46,100 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,100 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,100 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:46,101 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,101 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,101 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,103 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,103 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,103 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:46,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:46,103 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,119 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,119 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,120 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:46,120 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:46,120 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:46,120 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,120 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:46,120 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,120 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,120 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,122 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,123 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,123 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:46,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:46,123 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,143 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,144 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,144 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:46,144 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,144 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,144 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,146 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,146 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,146 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:46,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:46,146 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:46,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,163 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,163 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:46,163 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,163 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,163 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,165 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,165 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:46,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:46,165 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:46,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,182 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,182 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:46,182 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:46,182 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:46,182 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,183 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:46,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,184 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,184 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,184 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:29:46,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:29:46,184 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:29:46,200 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,200 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,201 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:29:46,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:29:46,201 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,201 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:46,201 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:46,201 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:46,201 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,201 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:46,201 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,202 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,202 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,204 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,204 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:46,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:46,204 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:46,220 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,220 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,220 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:46,220 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,220 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,220 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,222 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,222 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,222 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:46,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:46,222 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:46,238 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,238 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,238 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:46,238 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,238 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,238 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,240 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,240 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:46,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:46,241 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:46,257 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,257 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,257 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:46,257 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,258 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,258 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,260 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,260 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,260 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:46,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:46,260 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,276 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,276 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,276 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:46,276 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,277 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,277 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,279 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,279 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:46,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:46,279 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:46,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,295 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,295 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:46,295 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,296 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,296 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,297 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,297 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,297 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:46,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:46,298 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:46,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,314 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,314 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:46,314 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,314 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,314 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,316 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,316 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:46,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:46,316 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:46,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,333 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,333 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:46,333 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,333 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,333 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,335 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,335 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,335 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:46,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:46,335 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:46,352 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,352 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,352 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:46,352 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,353 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,353 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,354 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,354 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,354 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:46,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:46,355 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:46,371 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,371 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,371 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:46,371 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,371 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,371 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,373 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,373 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,373 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:46,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:46,373 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:46,390 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,390 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,390 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:46,391 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,391 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,391 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,393 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,393 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,393 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:46,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:46,393 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:46,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,410 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,410 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:46,410 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,410 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,410 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,412 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,412 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,412 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:46,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:46,412 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,429 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,429 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,429 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:46,429 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,429 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,429 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,431 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,431 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,431 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:46,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:46,431 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:46,448 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,448 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,449 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:46,449 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,449 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,449 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,451 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,451 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,451 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:46,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:46,451 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:46,467 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,468 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,468 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:46,468 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,468 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,468 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,470 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,470 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,470 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:46,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:46,470 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:46,486 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,487 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,487 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:46,487 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,487 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,487 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,489 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,489 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,489 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:46,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:46,489 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:46,505 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,505 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,505 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:46,506 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:46,506 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:46,506 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,506 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:46,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,507 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,507 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:46,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:46,507 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:46,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,523 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,524 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:46,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:46,524 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,524 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:46,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,525 - INFO - number of orbitals:  90
+2024-12-09 10:29:46,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
+2024-12-09 10:29:46,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,525 - INFO - moving on ...
+2024-12-09 10:29:46,525 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:46,525 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:46,526 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:46,526 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,526 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:46,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,527 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,527 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,527 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:46,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:46,527 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:46,543 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,543 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,544 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:46,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:46,544 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,544 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:46,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,545 - INFO - number of orbitals:  118
+2024-12-09 10:29:46,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,545 - INFO - moving on ...
+2024-12-09 10:29:46,545 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:46,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,547 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,547 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,547 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:46,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:46,547 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,563 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,563 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,563 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:46,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:46,563 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,563 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:46,563 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:46,563 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:46,563 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,564 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:46,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,565 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,565 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:46,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:46,565 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:46,582 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,582 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,582 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:46,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:46,582 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,582 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:46,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,584 - INFO - number of orbitals:  88
+2024-12-09 10:29:46,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,584 - INFO - moving on ...
+2024-12-09 10:29:46,584 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:46,584 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:46,584 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:46,584 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,584 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:46,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,585 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,585 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,585 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:46,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:46,586 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,601 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,602 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,602 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:46,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:46,602 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,602 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:46,602 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:46,602 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:46,602 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,602 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:46,602 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,604 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,605 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:46,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:46,605 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:46,620 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,621 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,621 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:46,621 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,621 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,621 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,623 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,623 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,623 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:46,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:46,623 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:46,639 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,640 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,640 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:46,640 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,640 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,640 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,642 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,642 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,642 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:46,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:46,642 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,658 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,658 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,658 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:46,659 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,659 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,659 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,661 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,661 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,661 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:46,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:46,661 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,676 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,677 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,677 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:46,677 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,677 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,677 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,679 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,679 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,679 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:46,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:46,679 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:46,695 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,696 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,696 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:46,696 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,696 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,696 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,698 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,698 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,698 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:46,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:46,698 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:46,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,715 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,715 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:46,715 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,715 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,715 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,717 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,717 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,717 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:46,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:46,717 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:46,733 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,733 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,733 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:46,733 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,733 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,733 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,735 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,735 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,735 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:46,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:46,735 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:46,751 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,752 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,752 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:46,752 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,752 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,752 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,754 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,754 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,754 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:46,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:46,754 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:46,770 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,771 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,771 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:46,771 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,771 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,771 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,773 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,773 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,773 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:46,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:46,773 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:46,789 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,789 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,789 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:46,789 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,790 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,790 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,791 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,792 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,792 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:46,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:46,792 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:46,808 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,808 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,808 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:46,808 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,808 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,808 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,810 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,810 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,810 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:46,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:46,810 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:46,826 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,827 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,827 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:46,827 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:46,827 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:46,827 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,827 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:46,827 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,827 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,827 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,829 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,830 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,830 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:46,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:46,830 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:46,846 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,846 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,846 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:46,846 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,846 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,846 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,848 - INFO - number of orbitals:  108
+2024-12-09 10:29:46,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,848 - INFO - moving on ...
+2024-12-09 10:29:46,848 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:46,848 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:46,848 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:46,848 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,848 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:46,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,850 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,850 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,850 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:46,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:46,850 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:46,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,866 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,866 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:46,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:46,867 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,867 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:46,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,868 - INFO - number of orbitals:  135
+2024-12-09 10:29:46,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,868 - INFO - moving on ...
+2024-12-09 10:29:46,868 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:46,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,869 - INFO - number of orbitals:  88
+2024-12-09 10:29:46,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,869 - INFO - moving on ...
+2024-12-09 10:29:46,869 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:46,869 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:46,870 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:46,870 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,870 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:46,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,871 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,871 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,871 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:46,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:46,871 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:46,887 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,887 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,887 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:46,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:46,887 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,887 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:46,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,889 - INFO - number of orbitals:  88
+2024-12-09 10:29:46,889 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,889 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,889 - INFO - moving on ...
+2024-12-09 10:29:46,889 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:46,889 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:46,889 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:46,889 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,889 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:46,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,890 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,890 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:46,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:46,891 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:46,907 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,907 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,907 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:46,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:46,908 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,908 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:46,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,909 - INFO - number of orbitals:  88
+2024-12-09 10:29:46,909 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,909 - INFO - moving on ...
+2024-12-09 10:29:46,909 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:46,909 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:46,909 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:46,909 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,909 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:46,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,911 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,911 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:46,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:46,911 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:46,926 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,927 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,927 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:46,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:46,927 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,927 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:46,927 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:46,927 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:46,927 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,927 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:46,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,929 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,929 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,929 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:46,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:46,929 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:46,944 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,945 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,945 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:46,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:46,945 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,945 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:46,945 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:46,945 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:46,945 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,945 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:46,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,947 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,947 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,947 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:46,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:46,947 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:46,963 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,963 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,963 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:46,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:46,963 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,963 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:46,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,965 - INFO - number of orbitals:  118
+2024-12-09 10:29:46,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:46,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:46,965 - INFO - moving on ...
+2024-12-09 10:29:46,965 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:46,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,966 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,966 - INFO - number of supporting files: 2
+2024-12-09 10:29:46,966 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:46,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:46,966 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:46,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:46,982 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:46,982 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:46,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:46,982 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:46,982 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:46,983 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:46,983 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:46,983 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:46,983 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:46,983 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:46,983 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:46,983 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:46,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:46,985 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:46,985 - INFO - number of supporting files: 1
+2024-12-09 10:29:46,985 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:46,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:46,985 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:47,001 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,002 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,002 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:47,002 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,002 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,002 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,004 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,004 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,004 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:47,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:47,004 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:47,020 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,021 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,021 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:47,021 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,021 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,021 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,023 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,023 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,023 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:47,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:47,023 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:47,039 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,039 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,039 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:47,039 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,039 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,039 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,041 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,041 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,041 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:47,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:47,042 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:47,058 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,058 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,058 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:47,059 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,059 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,059 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,061 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,061 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,061 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:47,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:47,061 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:47,077 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,077 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,077 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:47,077 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,078 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,078 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,079 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,080 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:47,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:47,080 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:47,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,096 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,096 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:47,096 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,096 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,096 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,098 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:47,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:47,098 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:47,114 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,114 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,114 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:47,114 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,114 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,114 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,116 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,116 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,116 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:47,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:47,116 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:47,132 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,132 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,132 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:47,132 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:47,132 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:47,132 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,132 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:47,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,134 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,134 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,134 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:47,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:47,134 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:47,150 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,150 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,150 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:47,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:47,150 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,150 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:47,150 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:47,150 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:47,150 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,150 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:47,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,152 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,152 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,152 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:47,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:47,152 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:47,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,169 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,169 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:47,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:47,169 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,169 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:47,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,170 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,171 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:47,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:47,171 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:47,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,187 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,187 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:47,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:47,187 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,187 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:47,187 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:47,187 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:47,187 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,187 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:47,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,189 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,189 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:47,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:47,189 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:47,206 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,206 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,206 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:47,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:47,206 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,206 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:47,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,208 - INFO - number of orbitals:  119
+2024-12-09 10:29:47,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,208 - INFO - moving on ...
+2024-12-09 10:29:47,208 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:47,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,209 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,209 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,209 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:47,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:47,209 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:47,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,225 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,225 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:47,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:47,226 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,226 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:47,226 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:47,226 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:47,226 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,226 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:47,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,227 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,227 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:47,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:47,227 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:47,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,244 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,244 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:47,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:47,244 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,244 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:47,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,245 - INFO - number of orbitals:  135
+2024-12-09 10:29:47,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,246 - INFO - moving on ...
+2024-12-09 10:29:47,246 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:47,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,247 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,247 - INFO - moving on ...
+2024-12-09 10:29:47,247 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:47,247 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:47,247 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:47,247 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,247 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:47,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,248 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,249 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,249 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:47,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:47,249 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:47,266 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,266 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,266 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:47,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:47,266 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,267 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:47,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,268 - INFO - number of orbitals:  118
+2024-12-09 10:29:47,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,268 - INFO - moving on ...
+2024-12-09 10:29:47,268 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:47,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,270 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,270 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,270 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:47,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:47,270 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:47,287 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,287 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,288 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:47,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:47,288 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,288 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:47,288 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:47,288 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:47,288 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,288 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:47,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,290 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,290 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,290 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:47,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:47,290 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:47,306 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,306 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,306 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:47,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:47,307 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,307 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:47,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,308 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,308 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,308 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,308 - INFO - moving on ...
+2024-12-09 10:29:47,308 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:47,308 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:47,308 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:47,308 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,308 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:47,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,310 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,310 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,310 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:47,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:47,310 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:47,327 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,327 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,327 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:47,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:47,327 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,327 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:47,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,329 - INFO - number of orbitals:  110
+2024-12-09 10:29:47,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,329 - INFO - moving on ...
+2024-12-09 10:29:47,329 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:47,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,331 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,331 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:47,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:47,331 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:47,348 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,349 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,349 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:47,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:47,349 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,349 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:47,349 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:47,349 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:47,349 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,349 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:47,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,351 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,351 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,351 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:47,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:47,351 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:47,367 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,368 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,368 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:47,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:47,368 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,368 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:47,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,370 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,370 - INFO - moving on ...
+2024-12-09 10:29:47,370 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:47,370 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:47,370 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:47,370 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,370 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:47,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,371 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,371 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,371 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:47,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:47,371 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:47,388 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,388 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,388 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:47,388 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:47,388 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:47,389 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,389 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:47,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,390 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,390 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:47,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:47,390 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:47,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,407 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,407 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:47,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:47,407 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,407 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:47,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,409 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,409 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,409 - INFO - moving on ...
+2024-12-09 10:29:47,409 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:47,409 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:47,409 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:47,409 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,409 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:47,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,410 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,410 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,410 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:47,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:47,410 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:47,427 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,428 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,428 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:47,428 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:47,428 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:47,428 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,428 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:47,428 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,428 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,428 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,430 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,430 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:47,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:47,430 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:47,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,447 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,447 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:47,447 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,447 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,447 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,449 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,449 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,449 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:47,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:47,449 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:47,466 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,466 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,466 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:47,467 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,467 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,467 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,469 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,469 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:47,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:47,469 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:47,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,486 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,486 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:47,486 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,486 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,486 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,488 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,488 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,488 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:47,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:47,488 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:47,505 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,505 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,505 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:47,505 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:47,505 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:47,505 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,505 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:47,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,507 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,507 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:47,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:47,507 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:47,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,524 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,524 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:47,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:47,524 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,524 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:47,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,525 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,525 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,525 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:29:47,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:29:47,526 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:29:47,543 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,543 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,543 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:29:47,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:29:47,544 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,544 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:47,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,545 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,545 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,545 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:47,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:47,545 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:47,562 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,563 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,563 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:47,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:47,563 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,563 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:47,563 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:47,563 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:47,563 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,563 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:47,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,565 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,565 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:47,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:47,565 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:47,582 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,582 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,582 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:47,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:47,582 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,582 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:47,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,584 - INFO - number of orbitals:  110
+2024-12-09 10:29:47,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,584 - INFO - moving on ...
+2024-12-09 10:29:47,584 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:47,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,586 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,586 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,586 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:47,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:47,586 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:47,602 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,602 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,602 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:47,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:47,603 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,603 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:47,603 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:47,603 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:47,603 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,603 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:47,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,604 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,604 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:47,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:47,605 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:47,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,621 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,622 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:47,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:47,622 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,622 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:47,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,623 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,623 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,623 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:29:47,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:29:47,623 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:29:47,640 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,640 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,640 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:29:47,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:29:47,640 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,640 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:47,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,642 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,642 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,642 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:47,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:47,642 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:47,658 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,658 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,659 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:47,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:47,659 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,659 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:47,659 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:47,659 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:47,659 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,659 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:47,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,660 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,660 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,660 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:47,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:47,660 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:47,676 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,677 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,677 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:47,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:47,677 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,677 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:47,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,678 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,678 - INFO - moving on ...
+2024-12-09 10:29:47,678 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:47,679 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:47,679 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:47,679 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,679 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:47,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,680 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,680 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,680 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:47,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:47,680 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:47,697 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,697 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,697 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:47,697 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:47,697 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:47,698 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,698 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:47,698 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,698 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,698 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,700 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,700 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,700 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:47,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:47,700 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:47,716 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,716 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,716 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:47,716 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,716 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,716 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,718 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,718 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,718 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:47,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:47,719 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:47,735 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,735 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,735 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:47,735 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,735 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,737 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,737 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,737 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:47,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:47,737 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:47,753 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,754 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,754 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:47,754 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,754 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,754 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,756 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,756 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,756 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:47,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:47,756 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:47,774 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,774 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,774 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:47,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,774 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,777 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,777 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:47,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:47,777 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:47,793 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,794 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,794 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:47,794 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,794 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,794 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,797 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,797 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:47,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:47,797 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:47,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,814 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,814 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:47,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,816 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,816 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:47,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:47,816 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:47,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,833 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,833 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:47,833 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,833 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,833 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,835 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,835 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:47,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:47,835 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:47,851 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,852 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,852 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:47,852 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:47,852 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:47,852 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:47,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,854 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,854 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,854 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:47,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:47,854 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:47,870 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,871 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,871 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:47,871 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:47,871 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:47,871 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,871 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:47,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,872 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,872 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,872 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:47,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:47,873 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:47,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,890 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,890 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:47,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:47,890 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,890 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:47,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,892 - INFO - number of orbitals:  88
+2024-12-09 10:29:47,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,892 - INFO - moving on ...
+2024-12-09 10:29:47,892 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:47,892 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:47,892 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:47,892 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,892 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:47,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,893 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,893 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:47,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:47,893 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:47,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,910 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,910 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:47,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:47,910 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,910 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:47,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,911 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,911 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:47,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:47,912 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:47,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,928 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,928 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:47,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:47,928 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,929 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:47,929 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:47,929 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:47,929 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,929 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:47,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,930 - INFO - number of supporting files: 1
+2024-12-09 10:29:47,930 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:47,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:47,930 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:47,946 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,947 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,947 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:47,947 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:47,947 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:47,947 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,947 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:47,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,949 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,949 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:47,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:47,949 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:47,964 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,965 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,965 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:47,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:47,965 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,965 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:47,965 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:47,965 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:47,965 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,965 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:47,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,967 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,967 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,967 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:47,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:47,967 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:47,984 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:47,984 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:47,984 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:47,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:47,984 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:47,984 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:47,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,986 - INFO - number of orbitals:  116
+2024-12-09 10:29:47,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:47,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:47,986 - INFO - moving on ...
+2024-12-09 10:29:47,986 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:47,986 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:47,987 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:47,987 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:47,987 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:47,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:47,988 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:47,988 - INFO - number of supporting files: 2
+2024-12-09 10:29:47,988 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:47,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:47,988 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:48,004 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,005 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,005 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:48,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:48,005 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,005 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:48,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,006 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,006 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,006 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:48,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:48,006 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:48,022 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,023 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,023 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:48,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:48,023 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,023 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:48,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,024 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,024 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,025 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:48,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:48,025 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:48,040 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,041 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,041 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:48,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:48,041 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,041 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:48,041 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:48,041 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:48,041 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,041 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:48,041 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,041 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,041 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,043 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,043 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,043 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:48,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:48,044 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:48,059 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,060 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,060 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:48,060 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,060 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,060 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,062 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,062 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,062 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:48,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:48,062 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:48,078 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,078 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,078 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:48,078 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,079 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,079 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,080 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,080 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,081 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:48,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:48,081 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:48,096 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,097 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,097 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:48,097 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,105 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,107 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,107 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,107 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:48,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:48,108 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:29:48,130 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,130 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,130 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:48,131 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,131 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,131 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,132 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,133 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,133 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:48,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:48,133 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:48,148 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,149 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,149 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:48,149 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,149 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,149 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,151 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,151 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:48,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:48,151 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:48,166 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,166 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,166 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:48,166 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,167 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,167 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,169 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,169 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:48,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:48,169 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:48,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,184 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,185 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:48,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,186 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,187 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,187 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:29:48,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:29:48,187 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:29:48,202 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,202 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,202 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:48,202 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,202 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,202 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,205 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,205 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:48,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:48,205 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:48,220 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,221 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,221 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:48,221 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,221 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,221 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,223 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,223 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:48,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:48,223 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:48,239 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,240 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,240 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:48,240 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,240 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,240 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,242 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,242 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:48,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:48,242 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:48,258 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,258 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,259 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:48,259 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,259 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,259 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,261 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,261 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,261 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:29:48,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:29:48,261 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:29:48,277 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,278 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,278 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:48,278 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:48,278 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:48,278 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,278 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:48,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,280 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,280 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,280 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:48,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:48,280 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:48,296 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,296 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,296 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:48,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:48,296 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,296 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:48,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,298 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,298 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:48,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:48,298 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:48,315 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,315 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,315 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:48,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:48,315 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,315 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:48,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,317 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,317 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,317 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:48,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:48,317 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:48,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,334 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,334 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:48,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:48,334 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,334 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:48,334 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:48,334 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:48,334 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,334 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:48,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,336 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,336 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:48,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:48,336 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:48,352 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,353 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,353 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:48,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:48,353 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,353 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:48,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,354 - INFO - number of orbitals:  110
+2024-12-09 10:29:48,355 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,355 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,355 - INFO - moving on ...
+2024-12-09 10:29:48,355 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:48,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,356 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,356 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:48,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:48,356 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:48,372 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,372 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,372 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:48,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:48,373 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,373 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:48,373 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:48,373 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:48,373 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,373 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:48,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,374 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,374 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,374 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:48,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:48,374 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:48,391 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,391 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,391 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:48,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:48,392 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,392 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:48,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,393 - INFO - number of orbitals:  110
+2024-12-09 10:29:48,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,393 - INFO - moving on ...
+2024-12-09 10:29:48,393 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:48,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,394 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,395 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,395 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:48,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:48,395 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:48,411 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,411 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,411 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:48,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:48,411 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,411 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:48,411 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:48,411 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:48,412 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,412 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:48,412 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,412 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,412 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,414 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,414 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,414 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:48,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:48,414 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:48,430 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,431 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,431 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:48,431 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,431 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,431 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,433 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,433 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:48,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:48,433 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:48,449 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,449 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,449 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:48,449 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,449 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,449 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,451 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,451 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,451 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:48,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:48,452 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:48,468 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,468 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,468 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:48,468 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,468 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,468 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,470 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,470 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,470 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:48,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:48,470 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:48,487 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,487 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,487 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:48,487 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,487 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,487 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,489 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,489 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,489 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:48,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:48,489 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:48,505 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,505 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,505 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:48,505 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,506 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,506 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,507 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,508 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:48,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:48,508 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:48,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,523 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,523 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:48,523 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,524 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,524 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,526 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,526 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,526 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:48,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:48,526 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:48,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,542 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,542 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:48,542 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,542 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,542 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,544 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,544 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:48,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:48,544 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:48,560 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,560 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,560 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:48,560 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:48,560 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:48,560 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:48,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,562 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,562 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:48,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:48,562 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:48,577 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,578 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,578 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:48,578 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:48,578 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:48,578 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,578 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:48,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,579 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,579 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,580 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:48,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:48,580 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:48,595 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,596 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,596 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:48,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:48,596 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,596 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:48,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,597 - INFO - number of orbitals:  88
+2024-12-09 10:29:48,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,597 - INFO - moving on ...
+2024-12-09 10:29:48,597 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:48,598 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:48,598 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:48,598 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,598 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:48,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,599 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,599 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,599 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:29:48,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:29:48,599 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:29:48,614 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,615 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,615 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:29:48,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:29:48,615 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,615 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:48,615 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:48,615 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:48,615 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,615 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:48,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,617 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,617 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,617 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:48,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:48,617 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:48,633 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,633 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,633 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:48,634 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:48,634 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:48,634 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,634 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:48,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,635 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:48,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:48,635 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:48,651 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,651 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,651 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:48,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:48,651 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,651 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:48,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,653 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,653 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,653 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:48,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:48,653 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:48,668 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,669 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,669 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:48,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:48,669 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,669 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:48,669 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:48,669 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:48,669 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,669 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:48,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,671 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,671 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,671 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:48,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:48,671 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:48,686 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,687 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,687 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:48,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:48,687 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,687 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:48,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,688 - INFO - number of orbitals:  90
+2024-12-09 10:29:48,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,689 - INFO - moving on ...
+2024-12-09 10:29:48,689 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:48,689 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:48,689 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:48,689 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,689 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:48,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,690 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,690 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,690 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:48,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:48,690 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:48,705 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,706 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,706 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:48,706 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:48,706 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:48,706 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,706 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:48,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,708 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,708 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,708 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:48,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:48,708 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:48,724 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,724 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,724 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:48,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:48,725 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,725 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:48,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,726 - INFO - number of orbitals:  88
+2024-12-09 10:29:48,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,726 - INFO - moving on ...
+2024-12-09 10:29:48,726 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:48,726 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:48,726 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:48,726 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,726 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:48,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,728 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,728 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,728 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:48,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:48,728 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:48,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,744 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,745 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:48,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:48,745 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,745 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:48,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,746 - INFO - number of orbitals:  106
+2024-12-09 10:29:48,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,746 - INFO - moving on ...
+2024-12-09 10:29:48,746 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:48,746 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:48,746 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:48,746 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,746 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:48,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,748 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,748 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,748 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:48,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:48,748 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:48,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,764 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,764 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:48,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:48,764 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,765 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:48,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,766 - INFO - number of orbitals:  118
+2024-12-09 10:29:48,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,766 - INFO - moving on ...
+2024-12-09 10:29:48,766 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:48,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,768 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,768 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,768 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:48,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:48,768 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:48,785 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,785 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,785 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:48,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:48,785 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,785 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:48,786 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:48,786 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:48,786 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,786 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:48,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,787 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,787 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,787 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:48,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:48,787 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:48,806 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,806 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,806 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:48,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:48,806 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,806 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:48,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,808 - INFO - number of orbitals:  114
+2024-12-09 10:29:48,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,808 - INFO - moving on ...
+2024-12-09 10:29:48,808 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:48,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,810 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,810 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,810 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:48,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:48,810 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:48,827 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,827 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,827 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:48,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:48,827 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,827 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:48,828 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:48,828 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:48,828 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,828 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:48,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,829 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,829 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,829 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:48,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:48,829 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:48,846 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,846 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,847 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:48,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:48,847 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,847 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:48,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,848 - INFO - number of orbitals:  115
+2024-12-09 10:29:48,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,848 - INFO - moving on ...
+2024-12-09 10:29:48,848 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:48,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,850 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,850 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,850 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:48,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:48,850 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:48,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,867 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,867 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:48,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:48,867 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,867 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:48,867 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:48,867 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:48,867 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,867 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:48,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,869 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,869 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,869 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:48,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:48,869 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:48,885 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,885 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,886 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:48,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:48,886 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,886 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:48,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,887 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,887 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,887 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:29:48,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:29:48,887 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:29:48,904 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,904 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,904 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:29:48,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:29:48,904 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,904 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:48,904 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:48,904 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:48,905 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,905 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:48,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,906 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,906 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,906 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:48,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:48,906 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:48,925 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,926 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,926 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:48,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:48,926 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,926 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:48,926 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:48,926 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:48,926 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,926 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:48,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,928 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,928 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,928 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:48,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:48,929 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:48,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,947 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,947 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:48,948 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:48,948 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:48,948 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,948 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:48,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,949 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,949 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:48,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:48,949 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:48,965 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,966 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,966 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:48,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:48,966 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,966 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:48,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,968 - INFO - number of orbitals:  86
+2024-12-09 10:29:48,968 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,968 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,968 - INFO - moving on ...
+2024-12-09 10:29:48,968 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:48,968 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:48,968 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:48,968 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,968 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:48,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,969 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,969 - INFO - number of supporting files: 2
+2024-12-09 10:29:48,969 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:48,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:48,969 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:48,985 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:48,986 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:48,986 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:48,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:48,986 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:48,986 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:48,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,987 - INFO - number of orbitals:  88
+2024-12-09 10:29:48,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:48,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:48,987 - INFO - moving on ...
+2024-12-09 10:29:48,987 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:48,988 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:48,988 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:48,988 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:48,988 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:48,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:48,989 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:48,989 - INFO - number of supporting files: 1
+2024-12-09 10:29:48,989 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:48,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:48,989 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:49,005 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,005 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,005 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:49,005 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:49,005 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:49,005 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,005 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:49,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,007 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,007 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,007 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:49,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:49,007 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:49,023 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,024 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,024 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:49,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:49,024 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,024 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:49,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,025 - INFO - number of orbitals:  88
+2024-12-09 10:29:49,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,025 - INFO - moving on ...
+2024-12-09 10:29:49,025 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:49,026 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:49,026 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:49,026 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,026 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:49,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,027 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,027 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:29:49,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:29:49,027 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:29:49,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,043 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,043 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:29:49,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:29:49,043 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,043 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:49,043 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:49,043 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:49,044 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,044 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:49,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,045 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,045 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:49,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:49,045 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:49,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,063 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,063 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:49,064 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:49,064 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:49,064 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,064 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:49,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,067 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,067 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,067 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:49,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:49,067 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:49,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,084 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,084 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:49,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:49,084 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,085 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:49,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,086 - INFO - number of orbitals:  116
+2024-12-09 10:29:49,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,086 - INFO - moving on ...
+2024-12-09 10:29:49,086 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:49,086 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:49,086 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:49,086 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,086 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:49,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,088 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,088 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,088 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:49,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:49,088 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:49,104 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,104 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,104 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:49,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:49,104 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,104 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:49,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,106 - INFO - number of orbitals:  88
+2024-12-09 10:29:49,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,106 - INFO - moving on ...
+2024-12-09 10:29:49,106 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:49,106 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:49,106 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:49,106 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,106 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:49,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,107 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,107 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,108 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:49,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:49,108 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:49,124 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,125 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,125 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:49,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:49,125 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,125 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:49,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,126 - INFO - number of orbitals:  88
+2024-12-09 10:29:49,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,126 - INFO - moving on ...
+2024-12-09 10:29:49,126 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:49,127 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:49,127 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:49,127 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,127 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:49,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,128 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,128 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,128 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:49,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:49,128 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:49,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,145 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,145 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:49,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:49,145 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,145 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:49,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,147 - INFO - number of orbitals:  110
+2024-12-09 10:29:49,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,147 - INFO - moving on ...
+2024-12-09 10:29:49,147 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:49,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,148 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,148 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:49,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:49,148 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:49,164 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,164 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,164 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:49,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:49,164 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,164 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:49,165 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:49,165 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:49,165 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,165 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:49,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,166 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,166 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,166 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:49,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:49,167 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:49,183 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,184 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,184 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:49,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:49,184 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,184 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:49,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,186 - INFO - number of orbitals:  135
+2024-12-09 10:29:49,186 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,186 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,186 - INFO - moving on ...
+2024-12-09 10:29:49,186 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:49,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,187 - INFO - number of orbitals:  88
+2024-12-09 10:29:49,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,187 - INFO - moving on ...
+2024-12-09 10:29:49,187 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:49,187 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:49,187 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:49,187 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,187 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:49,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,189 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,189 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:49,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:49,189 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:49,205 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,205 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,205 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:49,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:49,205 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,205 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:49,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,207 - INFO - number of orbitals:  119
+2024-12-09 10:29:49,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,207 - INFO - moving on ...
+2024-12-09 10:29:49,207 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:49,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,208 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,208 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,208 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:49,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:49,208 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:49,224 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,225 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,225 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:49,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:49,225 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,225 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:49,225 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:49,225 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:49,225 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,225 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:49,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,226 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,227 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,227 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:49,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:49,227 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:49,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,243 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,243 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:49,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:49,243 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,243 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:49,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,245 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,245 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,245 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:49,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:49,245 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:49,261 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,262 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,262 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:49,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:49,262 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,262 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:49,262 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:49,262 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:49,262 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,262 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:49,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,264 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,264 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,264 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:49,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:49,264 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:49,280 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,280 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,280 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:49,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:49,280 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,280 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:49,281 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:49,281 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:49,281 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,281 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:49,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,282 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,282 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,282 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:49,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:49,282 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:49,298 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,298 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,298 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:49,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:49,299 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,299 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:49,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,300 - INFO - number of orbitals:  89
+2024-12-09 10:29:49,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,300 - INFO - moving on ...
+2024-12-09 10:29:49,300 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:49,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,301 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,301 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,301 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:49,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:49,302 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:49,318 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,318 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,318 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:49,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:49,318 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,318 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:49,319 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:49,319 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:49,319 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,319 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:49,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,320 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,320 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,320 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:49,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:49,320 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:49,337 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,337 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,337 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:49,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:49,337 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,337 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:49,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,339 - INFO - number of orbitals:  94
+2024-12-09 10:29:49,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,339 - INFO - moving on ...
+2024-12-09 10:29:49,339 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:49,339 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:49,339 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:49,339 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,339 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:49,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,341 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,341 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,341 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:49,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:49,341 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:49,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,357 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,357 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:49,358 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:49,358 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:49,358 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,358 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:49,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,359 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,359 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,359 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:49,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:49,359 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:49,376 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,376 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,376 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:49,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:49,376 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,376 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:49,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,378 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,378 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,378 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:29:49,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:29:49,378 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:29:49,394 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,394 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,394 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:29:49,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:29:49,394 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,394 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:49,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,396 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,396 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,396 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:49,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:49,396 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:49,412 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,413 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,413 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:49,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:49,413 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,413 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:49,413 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:49,413 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:49,413 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,413 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:49,413 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,413 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,413 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,415 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,415 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,415 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:49,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:49,415 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:49,432 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,432 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,432 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:49,432 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,432 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,432 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,434 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,434 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,434 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:49,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:49,434 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:49,451 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,451 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,451 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:49,451 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,451 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,451 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,453 - INFO - number of orbitals:  90
+2024-12-09 10:29:49,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,454 - INFO - moving on ...
+2024-12-09 10:29:49,454 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:49,454 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,454 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,454 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,455 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,455 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,456 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:49,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:49,456 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:49,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,472 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,472 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:49,473 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,473 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,473 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,475 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,475 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,475 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:49,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:49,475 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:49,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,492 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,492 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:49,492 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,492 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,492 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,494 - INFO - number of orbitals:  90
+2024-12-09 10:29:49,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,494 - INFO - moving on ...
+2024-12-09 10:29:49,494 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:49,494 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:49,494 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:49,494 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,494 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:49,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,496 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,496 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,496 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:49,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:49,496 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:49,512 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,512 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,512 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:49,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:49,512 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,512 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:49,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,514 - INFO - number of orbitals:  115
+2024-12-09 10:29:49,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:49,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:49,514 - INFO - moving on ...
+2024-12-09 10:29:49,514 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:49,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,515 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,516 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,516 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:49,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:49,516 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:49,532 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,532 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,532 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:49,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:49,532 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,532 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:49,532 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:49,532 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:49,532 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,532 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:49,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,534 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,534 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:29:49,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:29:49,534 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:29:49,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,551 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,551 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:29:49,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:29:49,551 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:49,552 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:49,552 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:49,552 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,552 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:49,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,553 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,553 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,553 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:49,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:49,553 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:49,570 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,570 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,570 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:49,571 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:49,571 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:49,571 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,571 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:49,571 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,571 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,571 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,573 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,573 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:49,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:49,573 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:49,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,589 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,589 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:49,589 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,590 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,590 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,592 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,592 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:49,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:49,592 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:49,609 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,610 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,610 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:49,610 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,610 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,610 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,612 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:49,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:49,612 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:49,629 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,629 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,629 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:49,629 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,629 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,629 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,631 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,631 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,631 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:49,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:49,632 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:49,649 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,649 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,649 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:49,649 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,649 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,649 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,651 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,652 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,652 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:49,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:49,652 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:49,668 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,668 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,668 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:49,668 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,668 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,668 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,670 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,671 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,671 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:49,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:49,671 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:49,687 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,687 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,687 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:49,688 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:49,688 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:49,688 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,688 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:49,688 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,688 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,688 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,690 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,690 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,690 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:49,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:49,690 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:49,706 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,707 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,707 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:49,707 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,707 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,707 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,709 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,709 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,709 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:49,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:49,709 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:49,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,726 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,726 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:49,726 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,726 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,726 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,728 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,728 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,728 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:49,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:49,728 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:49,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,744 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,744 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:49,745 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:49,745 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:49,745 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,745 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:49,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,746 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,746 - INFO - number of supporting files: 2
+2024-12-09 10:29:49,746 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:29:49,746 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:29:49,746 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:29:49,762 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,762 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,762 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:29:49,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:29:49,763 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:49,763 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:49,763 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:49,763 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:49,763 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:49,763 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:49,763 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,763 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,763 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,765 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,765 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,765 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:49,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:49,766 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:49,782 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,782 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,782 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:49,782 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,783 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,783 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,785 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,785 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,785 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:49,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:49,785 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:49,801 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,802 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,802 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:49,802 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,802 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,802 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,804 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,804 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,804 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:49,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:49,804 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:49,820 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,820 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,820 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:49,820 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,820 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,821 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,822 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,823 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:49,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:49,823 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:49,838 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,839 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,839 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:49,839 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,839 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,839 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,841 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,841 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:49,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:49,841 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:49,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,857 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,858 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:49,858 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,858 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,858 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,860 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,860 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,860 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:49,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:49,860 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:49,876 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,877 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,877 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:49,877 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,877 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,877 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,879 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,879 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,879 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:49,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:49,879 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:49,895 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,896 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,896 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:49,896 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,896 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,896 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,898 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,898 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:49,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:49,898 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:49,914 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,914 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,915 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:49,915 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,915 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,915 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,917 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,917 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,917 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:49,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:49,917 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:49,933 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,933 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,933 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:49,933 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,934 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,934 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,935 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,936 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,936 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:49,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:49,936 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:49,953 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,953 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,953 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:49,953 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,954 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,954 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,956 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,956 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,956 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:49,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:49,956 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:49,973 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,973 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,973 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:49,973 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,973 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,974 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,975 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,975 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,976 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:49,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:49,976 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:49,991 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:49,992 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:49,992 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:49,992 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:49,992 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:49,992 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:49,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:49,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:49,994 - INFO - number of supporting files: 1
+2024-12-09 10:29:49,994 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:49,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:49,994 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:50,010 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,010 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,010 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:50,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,012 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,012 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,012 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:50,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:50,012 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:50,029 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,030 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,030 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:50,030 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,030 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,030 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,032 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,032 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,032 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:50,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:50,032 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:50,049 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,049 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,049 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:50,049 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,049 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,049 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,051 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,051 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,051 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:50,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:50,051 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:50,068 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,069 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,069 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:50,069 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:50,069 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:50,069 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,069 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:50,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,071 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,071 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,071 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:50,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:50,071 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:50,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,088 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,089 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:50,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:50,089 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,089 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:50,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,090 - INFO - number of orbitals:  90
+2024-12-09 10:29:50,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
+2024-12-09 10:29:50,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,090 - INFO - moving on ...
+2024-12-09 10:29:50,090 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:50,091 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:50,091 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:50,091 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,091 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:50,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,092 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,092 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,092 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:50,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:50,092 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:50,109 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,109 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,109 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:50,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:50,110 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,110 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:50,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,111 - INFO - number of orbitals:  118
+2024-12-09 10:29:50,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,111 - INFO - moving on ...
+2024-12-09 10:29:50,111 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:50,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,113 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,113 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,113 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:50,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:50,113 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:50,130 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,130 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,130 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:50,130 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:50,130 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,130 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:50,131 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:50,131 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:50,131 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,131 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:50,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,132 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,132 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,132 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:50,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:50,132 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:50,149 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,149 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,150 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:50,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:50,150 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,150 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:50,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,151 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,151 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:29:50,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:29:50,151 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:29:50,168 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,168 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,168 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:29:50,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:29:50,169 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,169 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:50,169 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:50,169 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:50,169 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,169 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:50,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,170 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,170 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:50,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:50,171 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,187 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,187 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:50,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:50,187 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,188 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:50,188 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:50,188 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:50,188 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,188 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:50,188 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,190 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,190 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:50,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:50,190 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:50,207 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,207 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,207 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:50,207 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,207 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,207 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,209 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,209 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,209 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:50,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:50,209 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:50,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,225 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,226 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:50,226 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,226 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,226 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,228 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,228 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,228 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:50,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:50,228 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,244 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,244 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:50,244 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,244 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,244 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,246 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,247 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,247 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:50,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:50,247 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,267 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,268 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,268 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:50,268 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,268 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,268 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,271 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,271 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,271 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:50,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:50,271 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:50,293 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,293 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,293 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:50,294 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,294 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,294 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,297 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,297 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:50,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:50,297 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:50,318 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,318 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,318 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:50,318 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,319 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,319 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,321 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,321 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,321 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:50,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:50,322 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:50,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,344 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,344 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:50,344 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,344 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,344 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,347 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,347 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,347 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:50,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:50,347 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:50,367 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,368 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,368 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:50,368 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,368 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,368 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,370 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,370 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,370 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:50,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:50,370 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:50,387 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,387 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,387 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:50,387 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,387 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,387 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,389 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,389 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,389 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:50,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:50,389 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:50,406 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,406 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,406 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:50,406 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,406 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,406 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,408 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,408 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,408 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:50,408 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:50,408 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,425 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,425 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,425 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:50,425 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,425 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,426 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,427 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,428 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,428 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:50,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:50,428 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:50,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,445 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,445 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:50,445 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:50,445 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:50,445 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,445 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:50,445 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,445 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,445 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,447 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,447 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,447 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:50,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:50,448 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:50,464 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,464 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,464 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:50,465 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,465 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,465 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,467 - INFO - number of orbitals:  108
+2024-12-09 10:29:50,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,467 - INFO - moving on ...
+2024-12-09 10:29:50,467 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:50,467 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:50,467 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:50,467 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,467 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:50,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,469 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,469 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:50,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:50,469 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:50,485 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,485 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,485 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:50,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:50,486 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,486 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:50,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,487 - INFO - number of orbitals:  135
+2024-12-09 10:29:50,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,487 - INFO - moving on ...
+2024-12-09 10:29:50,487 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:50,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,488 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,488 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,488 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:29:50,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:29:50,488 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:29:50,504 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,505 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,505 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:29:50,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:29:50,505 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,505 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:50,505 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:50,505 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:50,505 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,505 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:50,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,507 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,507 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,507 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:50,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:50,507 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:50,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,524 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,524 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:50,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:50,524 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,524 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:50,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,525 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,525 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,525 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:29:50,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:29:50,525 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:29:50,541 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,542 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,542 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:29:50,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:29:50,542 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,542 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:50,542 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:50,542 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:50,542 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,542 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:50,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,544 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,544 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:50,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:50,544 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:50,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,562 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,562 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:50,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:50,562 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,562 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:50,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,564 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,564 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,564 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:29:50,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:29:50,564 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:29:50,580 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,581 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,581 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:29:50,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:29:50,581 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,581 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:50,581 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:50,581 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:50,581 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,581 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:50,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,583 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,583 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,583 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:50,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:50,583 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:50,600 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,600 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,601 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:50,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:50,601 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,601 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:50,601 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:50,601 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:50,601 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,601 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:50,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,603 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,603 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,603 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:50,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:50,603 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:50,620 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,620 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,620 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:50,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:50,620 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,620 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:50,620 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:50,621 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:50,621 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,621 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:50,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,622 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,622 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,622 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:50,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:50,622 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:50,639 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,640 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,640 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:50,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:50,640 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,640 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:50,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,642 - INFO - number of orbitals:  118
+2024-12-09 10:29:50,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,642 - INFO - moving on ...
+2024-12-09 10:29:50,642 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:50,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,643 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,643 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,643 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:50,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:50,643 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:50,660 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,660 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,660 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:50,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:50,660 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,660 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:50,661 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:50,661 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:50,661 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,661 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:50,661 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,661 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,661 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,663 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,663 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,663 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:50,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:50,663 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,679 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,679 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,679 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:50,679 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,679 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,679 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,681 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,681 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,681 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:50,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:50,681 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:50,697 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,698 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,698 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:50,698 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,698 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,698 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,700 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,700 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,700 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:50,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:50,700 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:50,717 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,717 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,717 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:50,717 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,718 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,718 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,719 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,720 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,720 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:50,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:50,720 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:50,736 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,736 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,736 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:50,736 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,736 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,736 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,738 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,738 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,738 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:50,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:50,738 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:50,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,755 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,755 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:50,755 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,757 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,757 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,757 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:50,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:50,757 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:50,772 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,772 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,772 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:50,773 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,773 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,773 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,774 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,775 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,775 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:50,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:50,775 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:50,791 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,791 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,791 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:50,791 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:50,792 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:50,792 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:50,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,793 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,794 - INFO - number of supporting files: 1
+2024-12-09 10:29:50,794 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:50,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:50,794 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:50,810 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,810 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,811 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:50,811 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:50,811 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:50,811 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,811 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:50,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,812 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,812 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,812 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:50,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:50,812 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:50,828 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,829 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,829 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:50,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:50,829 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,829 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:50,829 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:50,829 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:50,829 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,829 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:50,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,830 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,831 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,831 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:50,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:50,831 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:50,847 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,848 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,848 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:50,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:50,848 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,848 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:50,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,850 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,850 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,850 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:50,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:50,850 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:50,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,867 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,867 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:50,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:50,867 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,867 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:50,867 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:50,867 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:50,867 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,867 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:50,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,869 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,869 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,869 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:50,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:50,869 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:50,886 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,886 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,886 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:50,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:50,886 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,886 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:50,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,888 - INFO - number of orbitals:  119
+2024-12-09 10:29:50,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,888 - INFO - moving on ...
+2024-12-09 10:29:50,888 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:50,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,889 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,889 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,889 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:50,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:50,889 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:50,906 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,906 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,907 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:50,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:50,907 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,907 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:50,907 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:50,907 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:50,907 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,907 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:50,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,908 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,909 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,909 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:50,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:50,909 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:50,924 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,925 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,925 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:50,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:50,925 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,925 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:50,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,926 - INFO - number of orbitals:  135
+2024-12-09 10:29:50,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,926 - INFO - moving on ...
+2024-12-09 10:29:50,926 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:50,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,927 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,928 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:29:50,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:29:50,928 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:29:50,943 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,943 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,943 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:29:50,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:29:50,944 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,944 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:50,944 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:50,944 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:50,944 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,944 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:50,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,945 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,945 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:50,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:50,946 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:50,962 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,962 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,962 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:50,962 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:50,962 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,962 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:50,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,964 - INFO - number of orbitals:  118
+2024-12-09 10:29:50,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:50,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:50,964 - INFO - moving on ...
+2024-12-09 10:29:50,964 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:50,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,965 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,965 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:50,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:50,965 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:50,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:50,981 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:50,981 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:50,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:50,981 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:50,981 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:50,982 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:50,982 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:50,982 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:50,982 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:50,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:50,983 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:50,983 - INFO - number of supporting files: 2
+2024-12-09 10:29:50,984 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:50,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:50,984 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:51,000 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,001 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,001 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:51,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:51,001 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,001 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:51,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,002 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,002 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,003 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:29:51,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:29:51,003 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:29:51,019 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,019 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,019 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:29:51,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:29:51,019 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,019 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:51,020 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:51,020 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:51,020 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,020 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:51,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,021 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,021 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,021 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:51,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:51,021 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:51,038 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,038 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,038 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:51,038 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:51,038 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,038 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:51,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,040 - INFO - number of orbitals:  110
+2024-12-09 10:29:51,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:51,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:51,040 - INFO - moving on ...
+2024-12-09 10:29:51,040 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:51,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,041 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,042 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,042 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:51,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:51,042 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:51,058 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,058 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,059 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:51,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:51,059 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,059 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:51,059 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:51,059 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:51,059 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,059 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:51,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,061 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,061 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,061 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:51,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:51,061 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:51,077 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,078 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,078 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:51,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:51,078 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,078 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:51,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,079 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,079 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 10:29:51,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 10:29:51,080 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 10:29:51,096 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,096 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,096 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 10:29:51,097 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 10:29:51,097 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,097 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:51,097 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:51,097 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:51,097 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,097 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:51,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,098 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,098 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:51,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:51,099 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:51,115 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,115 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,115 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:51,116 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:51,116 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:51,116 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,116 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:51,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,117 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,117 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,117 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:51,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:51,118 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:51,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,135 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,135 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:51,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:51,135 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,135 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:51,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,137 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,137 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,137 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 10:29:51,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 10:29:51,137 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 10:29:51,153 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,154 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,154 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 10:29:51,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 10:29:51,154 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,154 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:51,154 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:51,154 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:51,154 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,154 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:51,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,156 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,156 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,156 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:51,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:51,156 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:51,173 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,173 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,174 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:51,174 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:51,174 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:51,174 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,174 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:51,174 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,174 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,174 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,176 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,176 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,176 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:51,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:51,176 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:51,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,194 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,194 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:51,194 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,194 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,194 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,197 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,197 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,197 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:51,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:51,197 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:51,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,215 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,215 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:51,215 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,215 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,215 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,217 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,217 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,217 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:51,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:51,217 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:51,234 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,234 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,235 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:51,235 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,235 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,235 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,237 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,237 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:51,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:51,237 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:51,254 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,254 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,254 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:51,255 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:51,255 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:51,255 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,255 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:51,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,256 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,257 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,257 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:51,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:51,257 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:51,274 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,274 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,274 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:51,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:51,275 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,275 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:51,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,276 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,276 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,276 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:29:51,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:29:51,276 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:29:51,293 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,294 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,294 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:29:51,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:29:51,294 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,294 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:51,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,296 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,296 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,296 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:51,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:51,296 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:51,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,314 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,314 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:51,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:51,314 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,314 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:51,314 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:51,314 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:51,314 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,314 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:51,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,316 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,316 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:51,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:51,316 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:51,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,333 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,333 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:51,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:51,333 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,333 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:51,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,335 - INFO - number of orbitals:  110
+2024-12-09 10:29:51,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:51,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:51,335 - INFO - moving on ...
+2024-12-09 10:29:51,335 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:51,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,336 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,337 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,337 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:51,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:51,337 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:51,354 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,354 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,354 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:51,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:51,354 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,354 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:51,354 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:51,354 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:51,354 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,355 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:51,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,356 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,356 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:51,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:51,356 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:51,374 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,374 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,374 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:51,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:51,374 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,374 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:51,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,376 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,376 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,376 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:29:51,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:29:51,376 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:29:51,393 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,394 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,394 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:29:51,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:29:51,394 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,394 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:51,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,396 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,396 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,396 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:51,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:51,396 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:51,418 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,419 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,419 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:51,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:51,419 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,419 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:51,419 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:51,419 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:51,419 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,419 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:51,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,421 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,422 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,422 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:51,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:51,422 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:51,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,448 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,448 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:51,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:51,448 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,448 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:51,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,450 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,450 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,450 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 10:29:51,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 10:29:51,450 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 10:29:51,475 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,476 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,476 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 10:29:51,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 10:29:51,476 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:51,476 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:51,476 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:51,476 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,476 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:51,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,478 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,478 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,478 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:51,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:51,479 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:51,499 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,500 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,500 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:51,500 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:51,500 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:51,500 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,500 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:51,500 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,500 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,500 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,502 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,502 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:51,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:51,503 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:51,523 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,523 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,524 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:51,524 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,524 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,524 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,527 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,527 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,527 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:51,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:51,527 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:51,543 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,543 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,544 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:51,544 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,544 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,544 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,546 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,546 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,546 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:51,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:51,546 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:51,563 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,563 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,563 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:51,563 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,563 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,564 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,565 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,565 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,566 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:51,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:51,566 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:51,582 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,583 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,583 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:51,583 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,583 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,583 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,585 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,585 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,585 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:51,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:51,585 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:51,602 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,602 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,602 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:51,602 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,603 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,603 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,604 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,605 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,605 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:51,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:51,605 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:51,621 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,621 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,621 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:51,621 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,622 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,622 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,624 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,624 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,624 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:51,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:51,624 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:51,640 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,641 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,641 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:51,641 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,641 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,641 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,643 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,643 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,643 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:51,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:51,643 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:51,660 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,660 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,660 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:51,660 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,661 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,661 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,662 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,663 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,663 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:51,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:51,663 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:51,680 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,680 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,680 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:51,681 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:51,681 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:51,681 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,681 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:51,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,682 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,682 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,682 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:51,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:51,682 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:51,699 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,700 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,700 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:51,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:51,700 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,700 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:51,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,701 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,701 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,701 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 10:29:51,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 10:29:51,701 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 10:29:51,718 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,718 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,718 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 10:29:51,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 10:29:51,718 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,718 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:51,718 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:51,719 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:51,719 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,719 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:51,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,720 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,720 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,720 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:51,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:51,720 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:51,737 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,738 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,738 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:51,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:51,738 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,738 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:51,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,739 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,739 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,739 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:51,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:51,739 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:51,756 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,756 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,756 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:51,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:51,756 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,757 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:51,757 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:51,757 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:51,757 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,757 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:51,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,758 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,758 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,758 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:51,758 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:51,758 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:51,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,776 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,776 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:51,776 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:51,776 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:51,776 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,776 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:51,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,778 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,778 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,778 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:51,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:51,778 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:51,795 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,796 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,796 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:51,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:51,796 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,796 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:51,796 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:51,796 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:51,796 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,796 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:51,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,798 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,798 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,798 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:51,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:51,798 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:51,815 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,815 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,815 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:51,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:51,815 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,815 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:51,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,817 - INFO - number of orbitals:  116
+2024-12-09 10:29:51,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:51,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:51,817 - INFO - moving on ...
+2024-12-09 10:29:51,817 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:51,817 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:51,818 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:51,818 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,818 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:51,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,819 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,819 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,819 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:51,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:51,819 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:51,836 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,836 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,836 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:51,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:51,837 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,837 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:51,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,838 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,838 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,838 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:51,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:51,838 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:51,854 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,855 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,855 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:51,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:51,855 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,855 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:51,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,857 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,857 - INFO - number of supporting files: 2
+2024-12-09 10:29:51,857 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:51,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:51,857 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:51,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,874 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,874 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:51,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:51,874 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:51,874 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:51,874 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:51,874 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:51,874 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:51,874 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:51,874 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,874 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,874 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,876 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,876 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,876 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:51,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:51,876 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:51,893 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,893 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,893 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:51,893 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,893 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,893 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,895 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,895 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,895 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:51,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:51,895 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:51,912 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,912 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,912 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:51,912 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,912 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,912 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,914 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,914 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,914 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:51,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:51,914 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:51,930 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,931 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,931 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:51,931 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,931 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,931 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,933 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,933 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,933 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:51,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:51,933 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:29:51,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,950 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,951 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:51,951 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,953 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,953 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,953 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:51,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:51,953 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:51,969 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,970 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,970 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:51,970 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,970 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,970 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,972 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,972 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:51,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:51,972 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:51,989 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:51,989 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:51,990 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:51,990 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:51,990 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:51,990 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:51,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:51,992 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:51,992 - INFO - number of supporting files: 1
+2024-12-09 10:29:51,992 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:51,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:51,992 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:52,009 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,009 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,009 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:52,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,012 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,012 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,012 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:29:52,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:29:52,012 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:29:52,028 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,029 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,029 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:52,029 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,029 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,029 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,031 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,031 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:52,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:52,031 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:52,047 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,048 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,048 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:52,048 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,048 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,048 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,050 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,050 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,050 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:52,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:52,050 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:52,066 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,067 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,067 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:52,067 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,067 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,067 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,069 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,069 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,069 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:52,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:52,069 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:52,086 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,086 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,086 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:52,086 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,086 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,086 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,088 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,088 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,088 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:29:52,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:29:52,088 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:29:52,105 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,105 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,106 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:52,106 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:52,106 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:52,106 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,106 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:52,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,108 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,108 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,108 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:52,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:52,108 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:52,125 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,125 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,125 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:52,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:52,125 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,125 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:52,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,127 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,127 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,127 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:52,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:52,127 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:52,143 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,144 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,144 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:52,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:52,144 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,144 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:52,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,145 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,145 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,145 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:52,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:52,146 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:52,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,163 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,163 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:52,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:52,163 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,163 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:52,164 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:52,164 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:52,164 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,164 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:52,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,165 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,165 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:52,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:52,165 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:52,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,182 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,182 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:52,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:52,182 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,182 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:52,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,184 - INFO - number of orbitals:  110
+2024-12-09 10:29:52,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,184 - INFO - moving on ...
+2024-12-09 10:29:52,184 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:52,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,185 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,185 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,185 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:52,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:52,185 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:52,202 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,202 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,202 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:52,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:52,202 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,202 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:52,203 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:52,203 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:52,203 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,203 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:52,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,204 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,204 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:52,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:52,204 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:52,220 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,221 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,221 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:52,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:52,221 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,221 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:52,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,222 - INFO - number of orbitals:  110
+2024-12-09 10:29:52,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,223 - INFO - moving on ...
+2024-12-09 10:29:52,223 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:52,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,224 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,224 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,224 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:52,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:52,224 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:52,240 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,240 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,241 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:52,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:52,241 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,241 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:52,241 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:52,241 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:52,241 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,241 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:52,241 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,241 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,241 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,243 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,244 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,244 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:52,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:52,244 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:52,260 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,261 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,261 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:52,261 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,261 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,261 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,263 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,263 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,263 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:52,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:52,263 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:52,280 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,281 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,281 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:52,281 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,281 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,281 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,283 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,283 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,283 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:52,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:52,283 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:52,300 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,300 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,301 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:52,301 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,301 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,301 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,303 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,303 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,303 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:52,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:52,303 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:52,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,319 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,319 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:52,319 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,320 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,320 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,321 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,322 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,322 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:52,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:52,322 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:52,338 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,338 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,338 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:52,339 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,339 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,339 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,341 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,341 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,341 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:52,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:52,341 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:52,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,358 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,358 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:52,358 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,358 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,358 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,360 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,360 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,360 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:52,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:52,360 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:52,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,377 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,377 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:52,377 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,377 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,378 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,379 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,379 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,379 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:52,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:52,380 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:52,396 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,396 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,396 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:52,396 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:52,396 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:52,396 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:52,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,398 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,398 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,398 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:52,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:52,398 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:52,415 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,416 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,416 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:52,416 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:52,416 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:52,416 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,416 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:52,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,418 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,418 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,418 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:52,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:52,418 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:52,435 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,435 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,435 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:52,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:52,435 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,435 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:52,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,437 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,437 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,437 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-09 10:29:52,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-09 10:29:52,437 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-09 10:29:52,456 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,457 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,457 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-09 10:29:52,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-09 10:29:52,457 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,457 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:52,457 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:52,457 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:52,457 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,457 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:52,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,459 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,459 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,459 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:29:52,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:29:52,459 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:29:52,476 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,476 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,476 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:29:52,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:29:52,476 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:52,476 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:52,476 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:52,477 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,477 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:52,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,478 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,478 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,478 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:52,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:52,478 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:52,495 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,496 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,496 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:52,496 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:52,496 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:52,496 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,496 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:52,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,498 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,498 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,498 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:52,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:52,498 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:52,515 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,515 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,515 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:52,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:52,516 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,516 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:52,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,517 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,517 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:52,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:52,517 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:52,534 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,534 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,534 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:52,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:52,535 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,535 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:52,535 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:52,535 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:52,535 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,535 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:52,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,536 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,536 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,536 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:52,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:52,536 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:52,553 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,553 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,553 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:52,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:52,553 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,553 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:52,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,555 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,555 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,555 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-09 10:29:52,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-09 10:29:52,555 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-09 10:29:52,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,572 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,572 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-09 10:29:52,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-09 10:29:52,572 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,572 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:52,572 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:52,572 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:52,572 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,572 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:52,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,574 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,574 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,574 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:52,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:52,574 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:52,590 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,590 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,590 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:52,591 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:52,591 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:52,591 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,591 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:52,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,592 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,592 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:52,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:52,592 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:52,608 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,609 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,609 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:52,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:52,609 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,609 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:52,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,611 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,611 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,611 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-09 10:29:52,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-09 10:29:52,611 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-09 10:29:52,628 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,628 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,628 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-09 10:29:52,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-09 10:29:52,628 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,628 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:52,628 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:52,628 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:52,628 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,628 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:52,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,630 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,630 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,630 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:52,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:52,630 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:52,647 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,647 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,647 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:52,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:52,647 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,647 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:52,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,649 - INFO - number of orbitals:  106
+2024-12-09 10:29:52,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,649 - INFO - moving on ...
+2024-12-09 10:29:52,649 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:52,649 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:52,649 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:52,649 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,649 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:52,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,650 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,650 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,650 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:52,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:52,651 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:52,666 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,666 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,666 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:52,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:52,667 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,667 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:52,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,668 - INFO - number of orbitals:  118
+2024-12-09 10:29:52,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,668 - INFO - moving on ...
+2024-12-09 10:29:52,668 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:52,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,669 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,669 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,669 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:52,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:52,669 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:52,686 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,686 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,686 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:52,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:52,686 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,686 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:52,687 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:52,687 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:52,687 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,687 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:52,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,688 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,688 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,688 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:52,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:52,689 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:52,706 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,706 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,706 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:52,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:52,706 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,706 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:52,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,708 - INFO - number of orbitals:  114
+2024-12-09 10:29:52,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,708 - INFO - moving on ...
+2024-12-09 10:29:52,708 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:52,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,709 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,709 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,709 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:52,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:52,709 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:52,725 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,726 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,726 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:52,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:52,726 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,726 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:52,726 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:52,726 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:52,726 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,726 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:52,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,728 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,728 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,728 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:52,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:52,728 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:52,744 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,745 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,745 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:52,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:52,745 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,745 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:52,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,746 - INFO - number of orbitals:  115
+2024-12-09 10:29:52,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:52,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:52,746 - INFO - moving on ...
+2024-12-09 10:29:52,746 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:52,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,748 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,748 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,748 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:52,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:52,748 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:52,763 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,764 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,764 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:52,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:52,764 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,764 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:52,764 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:52,764 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:52,764 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,764 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:52,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,765 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,766 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,766 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:52,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:52,766 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:52,781 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,782 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,782 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:52,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:52,782 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,782 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:52,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,783 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,784 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,784 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:29:52,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:29:52,784 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:29:52,800 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,800 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,800 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:29:52,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:29:52,800 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,800 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:52,800 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:52,800 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:52,801 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,801 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:52,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,802 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,802 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,802 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:52,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:52,802 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:52,818 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,819 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,819 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:52,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:52,819 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,819 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:52,819 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:52,819 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:52,819 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,819 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:52,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,821 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,821 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,821 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:52,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:52,821 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:52,837 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,838 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,838 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:52,838 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:52,838 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:52,838 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,838 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:52,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,839 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,839 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,839 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:52,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:52,839 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:52,855 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,855 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,855 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:52,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:52,855 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,855 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:52,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,856 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,857 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,857 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
+2024-12-09 10:29:52,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
+2024-12-09 10:29:52,857 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
+2024-12-09 10:29:52,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,873 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,873 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
+2024-12-09 10:29:52,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
+2024-12-09 10:29:52,873 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,873 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:52,874 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:52,874 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:52,874 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,874 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:52,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,875 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,875 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:52,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:52,875 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:52,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,892 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,892 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:52,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:52,892 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,892 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:52,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,893 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,893 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,893 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
+2024-12-09 10:29:52,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
+2024-12-09 10:29:52,893 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
+2024-12-09 10:29:52,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,909 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,909 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
+2024-12-09 10:29:52,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
+2024-12-09 10:29:52,910 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,910 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:52,910 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:52,910 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:52,910 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,910 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:52,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,911 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,911 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:52,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:52,911 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:52,927 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,928 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,928 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:52,928 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:52,928 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:52,928 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,928 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:52,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,930 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,930 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:52,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:52,930 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:52,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,947 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,947 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:52,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:52,947 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,947 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:52,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,949 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,949 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
+2024-12-09 10:29:52,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
+2024-12-09 10:29:52,949 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
+2024-12-09 10:29:52,965 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,965 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,965 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
+2024-12-09 10:29:52,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
+2024-12-09 10:29:52,965 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,965 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:52,965 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:52,965 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:52,966 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,966 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:52,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,967 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,967 - INFO - number of supporting files: 2
+2024-12-09 10:29:52,967 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:29:52,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:29:52,968 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:29:52,985 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:52,985 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:29:52,985 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:29:52,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:29:52,985 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:52,985 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:52,985 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:52,986 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:52,986 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:52,986 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:52,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:52,987 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:52,987 - INFO - number of supporting files: 1
+2024-12-09 10:29:52,987 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:52,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:52,987 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:53,003 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,003 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,004 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:53,004 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:53,004 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:53,004 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,004 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:53,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,005 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,005 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,005 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:53,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:53,006 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:53,022 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,023 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,023 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:53,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:53,023 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,023 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:53,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,024 - INFO - number of orbitals:  116
+2024-12-09 10:29:53,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,024 - INFO - moving on ...
+2024-12-09 10:29:53,025 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:53,025 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:53,025 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:53,025 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,025 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:53,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,026 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,026 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,026 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:53,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:53,026 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:53,042 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,043 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,043 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:53,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:53,043 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,043 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:53,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,045 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,045 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
+2024-12-09 10:29:53,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
+2024-12-09 10:29:53,045 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
+2024-12-09 10:29:53,061 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,062 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,062 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
+2024-12-09 10:29:53,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
+2024-12-09 10:29:53,062 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,062 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:53,062 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:53,062 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:53,062 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,062 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:53,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,063 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,064 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,064 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:53,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:53,064 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:53,080 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,080 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,080 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:53,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:53,080 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,080 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:53,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,082 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,082 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,082 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
+2024-12-09 10:29:53,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
+2024-12-09 10:29:53,082 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
+2024-12-09 10:29:53,099 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,099 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,099 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
+2024-12-09 10:29:53,099 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
+2024-12-09 10:29:53,099 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,099 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:53,099 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:53,099 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:53,099 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,100 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:53,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,101 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,101 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,101 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:53,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:53,101 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:53,118 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,118 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,118 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:53,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:53,118 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,118 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:53,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,120 - INFO - number of orbitals:  110
+2024-12-09 10:29:53,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,120 - INFO - moving on ...
+2024-12-09 10:29:53,120 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:53,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,121 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,121 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,121 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:53,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:53,121 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:53,137 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,138 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,138 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:53,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:53,138 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,138 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:53,138 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:53,138 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:53,138 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,138 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:53,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,140 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,140 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,140 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:53,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:53,140 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:53,156 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,156 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,157 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:53,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:53,157 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,157 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:53,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,158 - INFO - number of orbitals:  135
+2024-12-09 10:29:53,158 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,158 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,158 - INFO - moving on ...
+2024-12-09 10:29:53,158 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:53,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,160 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,160 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
+2024-12-09 10:29:53,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
+2024-12-09 10:29:53,160 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,176 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,176 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,176 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
+2024-12-09 10:29:53,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
+2024-12-09 10:29:53,176 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,176 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:53,177 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:53,177 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:53,177 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,177 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:53,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,178 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,178 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,178 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:53,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:53,178 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:53,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,195 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,195 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:53,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:53,195 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,196 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:53,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,197 - INFO - number of orbitals:  119
+2024-12-09 10:29:53,197 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,197 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,197 - INFO - moving on ...
+2024-12-09 10:29:53,197 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:53,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,199 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,199 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,199 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:53,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:53,199 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:53,215 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,216 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,216 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:53,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:53,216 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,216 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:53,216 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:53,216 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:53,216 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,216 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:53,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,218 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,218 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:53,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:53,218 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:53,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,235 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,235 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:53,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:53,235 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,235 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:53,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,237 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,237 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:53,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:53,237 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:53,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,253 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,253 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:53,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:53,253 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,253 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:53,254 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:53,254 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:53,254 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,254 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:53,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,255 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,255 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:53,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:53,255 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:53,271 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,272 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,272 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:53,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:53,272 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,272 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:53,272 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:53,272 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:53,272 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,272 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:53,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,274 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,274 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,274 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:53,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:53,274 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:53,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,290 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,290 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:53,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:53,290 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,290 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:53,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,292 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,292 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
+2024-12-09 10:29:53,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
+2024-12-09 10:29:53,292 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
+2024-12-09 10:29:53,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,309 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,309 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
+2024-12-09 10:29:53,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
+2024-12-09 10:29:53,309 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,309 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:53,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,310 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,310 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,310 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:53,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:53,311 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,326 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,327 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,327 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:53,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:53,327 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,327 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:53,327 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:53,327 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:53,327 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,327 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:53,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,329 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,329 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,329 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:53,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:53,329 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:53,345 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,345 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,346 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:53,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:53,346 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,346 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:53,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,347 - INFO - number of orbitals:  94
+2024-12-09 10:29:53,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,347 - INFO - moving on ...
+2024-12-09 10:29:53,347 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:53,347 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:53,348 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:53,348 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,348 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:53,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,349 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,349 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,349 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:53,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:53,349 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:53,365 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,366 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,366 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:53,366 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:53,366 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:53,366 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,366 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:53,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,367 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,368 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,368 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:53,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:53,368 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:53,384 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,384 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,384 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:53,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:53,384 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,384 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:53,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,386 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,386 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,386 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:29:53,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:29:53,386 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:29:53,402 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,403 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,403 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:29:53,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:29:53,403 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,403 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:53,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,404 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,404 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,404 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:53,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:53,404 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:53,422 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,422 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,423 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:53,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:53,423 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,423 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:53,423 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:53,423 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:53,423 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,423 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:53,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,424 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,424 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,426 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,426 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,426 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:53,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:53,426 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:53,443 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,443 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,443 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:53,443 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,444 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,444 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,446 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,446 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,446 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:53,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:53,446 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:53,463 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,463 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,463 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:53,464 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,464 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,464 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,466 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,466 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,466 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
+2024-12-09 10:29:53,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
+2024-12-09 10:29:53,466 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,483 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,483 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,483 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:53,483 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,483 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,483 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,485 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,485 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:53,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:53,485 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:53,502 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,502 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,502 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:53,502 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,502 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,502 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,504 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,504 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,504 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:53,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:53,505 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:53,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,521 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,521 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:53,521 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,521 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,521 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,523 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,523 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,523 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
+2024-12-09 10:29:53,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
+2024-12-09 10:29:53,523 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
+2024-12-09 10:29:53,540 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,540 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,540 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:53,540 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:53,540 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:53,540 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,540 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:53,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,542 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,542 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,542 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:53,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:53,542 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:53,558 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,559 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,559 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:53,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:53,559 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,559 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:53,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,560 - INFO - number of orbitals:  115
+2024-12-09 10:29:53,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
+2024-12-09 10:29:53,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:53,560 - INFO - moving on ...
+2024-12-09 10:29:53,560 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:53,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,562 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,562 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:53,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:53,562 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:53,578 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,578 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,578 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:53,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:53,578 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,579 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:53,579 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:53,579 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:53,579 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,579 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:53,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,580 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,580 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,580 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:29:53,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:29:53,580 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:29:53,596 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,596 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,596 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:29:53,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:29:53,596 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,596 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:53,597 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:53,597 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:53,597 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,597 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:53,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,598 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,598 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,598 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:53,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:53,598 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:53,614 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,614 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,614 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:53,615 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:53,615 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:53,615 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,615 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:53,615 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,615 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,615 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,617 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,617 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,617 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:53,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:53,617 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:53,633 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,634 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,634 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:53,634 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,634 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,634 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,636 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,636 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,636 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:53,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:53,636 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:53,653 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,653 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,653 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:53,654 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,654 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,654 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,656 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,656 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,656 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:53,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:53,656 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:53,673 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,674 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,674 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:53,674 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,674 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,674 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,676 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,676 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,676 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:53,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:53,676 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:53,692 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,693 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,693 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:53,693 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,693 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,693 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,695 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,695 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,695 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:53,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:53,695 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:53,712 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,712 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,713 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:53,713 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,713 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,713 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,715 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,715 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:53,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:53,715 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:53,732 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,732 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,732 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:53,732 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:53,733 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:53,733 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,733 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:53,733 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,733 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,733 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,735 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,735 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,735 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:53,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:53,735 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,753 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,753 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,753 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:53,753 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,753 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,753 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,755 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,756 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,756 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:53,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:53,756 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:53,774 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,774 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,774 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:53,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,775 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,778 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,778 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:53,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:53,778 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:53,798 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,799 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,799 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:53,799 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:53,799 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:53,799 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,799 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:53,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,801 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,801 - INFO - number of supporting files: 2
+2024-12-09 10:29:53,801 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:29:53,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:29:53,801 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:29:53,818 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,819 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,819 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:29:53,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:29:53,819 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:53,819 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:53,819 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:53,819 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:53,820 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:53,820 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:53,820 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,820 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,820 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,822 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,822 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:53,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:53,822 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:53,844 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,844 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,845 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:53,845 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,845 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,847 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,847 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,847 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:53,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:53,848 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:53,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,872 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,872 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:53,872 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,872 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,872 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,875 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,875 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:53,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:53,875 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:53,893 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,894 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,894 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:53,894 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,894 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,894 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,897 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,897 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,897 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:53,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:53,897 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:53,916 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,917 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,917 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:53,917 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,917 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,917 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,919 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,919 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,919 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:53,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:53,919 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:53,935 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,935 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,935 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:53,935 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,936 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,936 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,938 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,938 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,938 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:53,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:53,938 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:53,956 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,957 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,957 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:53,957 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,957 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,957 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,959 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,960 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,960 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:53,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:53,960 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:53,979 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,979 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,979 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:53,979 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:53,979 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:53,980 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:53,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:53,982 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:53,982 - INFO - number of supporting files: 1
+2024-12-09 10:29:53,982 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:53,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:53,982 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:53,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:53,999 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:53,999 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:53,999 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,000 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,000 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,002 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,002 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,002 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:54,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:54,002 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:54,019 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,019 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,019 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:54,019 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,020 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,020 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,022 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,022 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,022 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:54,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:54,022 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:54,038 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,039 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,039 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:54,039 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,039 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,039 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,041 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,041 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,041 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:54,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:54,041 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:54,058 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,059 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,059 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:54,059 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,059 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,059 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,061 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,061 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,061 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:54,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:54,062 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:54,079 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,079 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,079 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:54,079 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,079 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,080 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,081 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,081 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,082 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:54,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:54,082 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:54,098 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,098 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,098 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:54,098 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,099 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,099 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,100 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,101 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,101 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:54,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:54,101 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:54,117 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,117 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,117 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:54,117 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,117 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,119 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,119 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,120 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:54,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:54,120 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:54,137 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,137 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,137 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:54,137 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,137 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,137 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,139 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,139 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,139 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:54,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:54,139 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:54,156 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,156 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,156 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:54,157 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:54,157 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:54,157 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,157 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:54,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,159 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,159 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,159 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:54,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:54,159 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:54,175 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,175 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,175 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:54,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:54,175 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,175 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:54,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,177 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,177 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,177 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
+2024-12-09 10:29:54,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
+2024-12-09 10:29:54,177 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
+2024-12-09 10:29:54,193 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,194 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,194 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
+2024-12-09 10:29:54,194 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
+2024-12-09 10:29:54,194 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,194 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:54,194 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:54,194 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:54,194 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,194 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:54,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,196 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,196 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,196 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:54,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:54,196 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:54,212 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,212 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,213 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:54,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:54,213 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,213 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:54,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,214 - INFO - number of orbitals:  118
+2024-12-09 10:29:54,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:54,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:54,214 - INFO - moving on ...
+2024-12-09 10:29:54,214 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:54,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,215 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,216 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,216 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:54,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:54,216 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:54,232 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,233 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,233 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:54,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:54,233 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,233 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:54,233 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:54,233 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:54,233 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,233 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:54,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,235 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,235 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,235 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:54,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:54,235 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:54,252 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,253 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,253 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:54,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:54,253 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,253 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:54,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,255 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,255 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:29:54,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:29:54,255 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:29:54,273 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,274 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,274 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:29:54,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:29:54,274 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,274 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:54,274 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:54,274 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:54,274 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,274 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:54,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,276 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,277 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,277 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:54,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:54,277 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,300 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,300 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:54,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:54,300 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,300 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:54,301 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:54,301 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:54,301 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,301 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:54,301 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,301 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,301 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,304 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,304 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,304 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:54,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:54,304 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:54,321 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,322 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,322 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:54,322 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,322 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,322 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,324 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,324 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,325 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:54,325 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:54,325 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:54,341 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,342 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,342 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:54,342 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,342 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,342 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,344 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,344 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,344 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:54,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:54,344 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,361 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,361 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,361 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:54,361 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,361 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,362 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,363 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,364 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,364 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:54,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:54,364 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,387 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,387 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,387 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:54,388 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,388 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,388 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,391 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,391 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:54,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:54,391 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:54,410 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,410 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,410 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:54,410 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,411 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,411 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,413 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,413 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,413 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:54,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:54,413 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:54,431 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,431 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,431 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:54,431 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,431 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,431 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,433 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,433 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,433 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:54,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:54,434 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:54,450 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,451 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,451 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:54,451 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,451 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,451 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,453 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,453 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:54,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:54,453 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:54,471 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,471 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,471 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:54,471 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,472 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,472 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,474 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,474 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,474 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:54,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:54,474 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:54,490 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,490 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,490 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:54,491 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,491 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,491 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,493 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,493 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,493 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:54,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:54,493 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:54,509 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,510 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,510 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:54,510 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,510 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,510 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,512 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,512 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,512 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:54,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:54,512 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,529 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,529 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,529 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:54,529 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,529 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,529 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,531 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,531 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,531 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:54,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:54,532 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:54,548 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,548 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,548 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:54,549 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:54,549 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:54,549 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,549 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:54,549 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,549 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,549 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,551 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,551 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,551 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:54,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:54,551 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:54,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,567 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,568 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:54,568 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,568 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,568 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,570 - INFO - number of orbitals:  108
+2024-12-09 10:29:54,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:54,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:54,570 - INFO - moving on ...
+2024-12-09 10:29:54,570 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:54,570 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:54,570 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:54,570 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,570 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:54,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,572 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,572 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:54,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:54,572 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:54,588 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,588 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,588 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:54,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:54,588 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,588 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:54,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,590 - INFO - number of orbitals:  135
+2024-12-09 10:29:54,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:54,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:54,590 - INFO - moving on ...
+2024-12-09 10:29:54,590 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:54,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,591 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,591 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,591 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:29:54,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:29:54,591 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:29:54,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,607 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,607 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:29:54,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:29:54,607 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,607 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:54,608 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:54,608 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:54,608 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,608 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:54,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,609 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,609 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:54,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:54,609 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:54,626 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,626 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,626 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:54,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:54,626 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,626 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:54,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,628 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,628 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:29:54,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:29:54,628 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:29:54,644 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,644 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,644 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:29:54,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:29:54,644 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,644 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:54,644 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:54,644 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:54,644 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,645 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:54,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,646 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,646 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,646 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:54,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:54,646 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:54,662 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,662 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,662 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:54,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:54,663 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,663 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:54,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,664 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,664 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,664 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:29:54,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:29:54,664 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:29:54,680 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,681 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,681 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:29:54,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:29:54,681 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,681 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:54,682 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:54,682 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:54,682 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,682 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:54,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,684 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,684 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,684 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:54,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:54,684 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:54,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,702 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,702 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:54,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:54,703 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,703 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:54,703 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:54,703 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:54,703 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,703 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:54,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,704 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,704 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,705 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:54,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:54,705 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:54,720 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,721 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,721 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:54,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:54,721 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,721 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:54,721 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:54,721 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:54,721 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,721 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:54,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,723 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,723 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,723 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:54,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:54,723 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:54,739 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,740 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,740 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:54,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:54,740 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,740 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:54,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,742 - INFO - number of orbitals:  118
+2024-12-09 10:29:54,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:54,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:54,742 - INFO - moving on ...
+2024-12-09 10:29:54,742 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:54,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,743 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,743 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,743 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:54,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:54,743 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:54,758 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,759 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,759 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:54,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:54,759 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,759 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:54,759 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:54,759 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:54,759 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,759 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:54,759 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,760 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,760 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,761 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,762 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,762 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:54,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:54,762 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,778 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,778 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,778 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:54,779 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,779 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,779 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,781 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,781 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,781 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:54,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:54,781 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:54,797 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,797 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,798 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:54,798 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,798 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,798 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,800 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,800 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,800 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:54,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:54,800 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:54,816 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,817 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,817 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:54,817 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,817 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,817 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,819 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,819 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,819 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:54,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:54,819 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:54,835 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,836 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,836 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:54,836 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,836 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,836 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,838 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,838 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,838 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:54,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:54,838 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:54,854 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,855 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,855 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:54,855 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,855 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,855 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,857 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,857 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,857 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:54,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:54,857 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:54,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,873 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,874 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:54,874 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,874 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,874 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,876 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,876 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,876 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:54,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:54,876 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:54,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,892 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,892 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:54,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:54,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:54,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:54,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,894 - INFO - number of supporting files: 1
+2024-12-09 10:29:54,894 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:54,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:54,894 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:54,912 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,912 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,912 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:54,913 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:54,913 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:54,913 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,913 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:54,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,915 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,915 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,915 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:54,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:54,915 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:54,938 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,938 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,939 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:54,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:54,939 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,939 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:54,939 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:54,939 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:54,939 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,939 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:54,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,941 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,941 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,941 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:54,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:54,941 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:54,964 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,964 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,964 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:54,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:54,965 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,965 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:54,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,967 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,967 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,967 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:54,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:54,967 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:54,990 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:54,990 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:54,991 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:54,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:54,991 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:54,991 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:54,991 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:54,991 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:54,991 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:54,991 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:54,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:54,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:54,994 - INFO - number of supporting files: 2
+2024-12-09 10:29:54,994 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:54,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:54,994 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:55,010 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,011 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,011 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:55,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:55,011 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,011 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:55,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,012 - INFO - number of orbitals:  119
+2024-12-09 10:29:55,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,012 - INFO - moving on ...
+2024-12-09 10:29:55,012 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:55,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,014 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,014 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,014 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:55,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:55,014 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:55,030 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,031 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,031 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:55,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:55,031 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,031 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:55,031 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:55,031 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:55,031 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,031 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:55,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,033 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,033 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,033 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:55,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:55,033 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:55,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,049 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,049 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:55,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:55,049 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,049 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:55,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,050 - INFO - number of orbitals:  135
+2024-12-09 10:29:55,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,050 - INFO - moving on ...
+2024-12-09 10:29:55,051 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:55,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,052 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,052 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,052 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:29:55,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:29:55,052 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:29:55,068 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,068 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,068 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:29:55,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:29:55,068 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,068 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:55,068 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:55,069 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:55,069 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,069 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:55,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,070 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,070 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,070 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:55,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:55,070 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:55,086 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,087 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,087 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:55,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:55,087 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,087 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:55,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,089 - INFO - number of orbitals:  118
+2024-12-09 10:29:55,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,089 - INFO - moving on ...
+2024-12-09 10:29:55,089 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:55,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,090 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,090 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,090 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:55,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:55,090 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:55,107 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,107 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,107 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:55,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:55,107 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,107 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:55,107 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:55,107 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:55,107 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,107 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:55,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,109 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,109 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,109 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:55,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:55,109 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:55,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,127 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,127 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:55,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:55,127 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,127 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:55,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,129 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,129 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:29:55,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:29:55,129 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:29:55,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,145 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,145 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:29:55,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:29:55,146 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,146 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:55,146 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:55,146 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:55,146 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,146 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:55,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,147 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,147 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,147 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:55,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:55,147 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:55,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,163 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,163 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:55,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:55,163 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,164 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:55,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,165 - INFO - number of orbitals:  110
+2024-12-09 10:29:55,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,165 - INFO - moving on ...
+2024-12-09 10:29:55,165 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:55,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,166 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,166 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,166 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:55,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:55,166 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:55,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,182 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,182 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:55,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:55,182 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,182 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:55,182 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:55,183 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:55,183 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,183 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:55,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,184 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,184 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,184 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:55,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:55,184 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:55,200 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,201 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,201 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:55,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:55,201 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,201 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:55,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,202 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,202 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,202 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 10:29:55,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 10:29:55,203 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 10:29:55,219 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,219 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,219 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 10:29:55,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 10:29:55,220 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,220 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:55,220 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:55,220 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:55,220 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,220 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:55,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,221 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,221 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,222 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:55,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:55,222 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:55,238 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,238 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,239 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:55,239 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:55,239 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:55,239 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,239 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:55,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,240 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,240 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:55,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:55,240 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:55,256 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,257 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,257 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:55,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:55,257 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,257 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:55,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,259 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,259 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,259 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 10:29:55,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 10:29:55,259 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 10:29:55,276 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,276 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,276 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 10:29:55,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 10:29:55,276 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,276 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:55,277 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:55,277 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:55,277 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,277 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:55,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,278 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,278 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:55,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:55,278 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:55,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,296 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,296 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:55,296 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:55,296 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:55,296 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,296 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:55,296 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,296 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,296 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,298 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,299 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,299 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:55,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:55,299 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:55,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,319 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,319 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:55,319 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,320 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,320 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,322 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,322 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,322 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:55,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:55,323 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:55,344 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,344 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,344 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:55,344 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,344 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,345 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,347 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,347 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,347 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:55,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:55,347 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:55,367 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,367 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,368 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:55,368 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,368 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,368 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,371 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,371 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,371 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:55,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:55,371 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:55,394 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,395 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,395 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:55,395 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:55,395 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:55,395 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,395 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:55,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,397 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,397 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,397 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:55,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:55,397 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:55,414 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,415 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,415 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:55,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:55,415 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,415 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:55,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,416 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,417 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,417 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:29:55,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:29:55,417 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:29:55,433 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,434 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,434 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:29:55,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:29:55,434 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,434 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:55,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,435 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,435 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,435 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:55,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:55,436 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:55,454 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,455 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,455 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:55,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:55,455 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,455 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:55,455 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:55,455 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:55,455 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,455 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:55,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,456 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,457 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,457 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:55,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:55,457 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:55,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,473 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,473 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:55,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:55,473 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,473 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:55,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,474 - INFO - number of orbitals:  110
+2024-12-09 10:29:55,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,474 - INFO - moving on ...
+2024-12-09 10:29:55,474 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:55,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,475 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,476 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,476 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:55,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:55,476 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:55,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,492 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,492 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:55,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:55,492 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,492 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:55,492 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:55,492 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:55,492 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,492 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:55,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,494 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,494 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,494 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:55,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:55,494 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:55,510 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,511 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,511 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:55,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:55,511 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,511 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:55,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,512 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,512 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,513 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:29:55,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:29:55,513 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:29:55,529 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,529 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,529 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:29:55,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:29:55,530 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,530 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:55,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,531 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,531 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,531 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:55,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:55,531 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:55,548 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,548 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,548 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:55,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:55,548 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,548 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:55,549 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:55,549 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:55,549 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,549 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:55,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,550 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,550 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,550 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:55,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:55,550 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:55,567 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,567 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,567 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:55,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:55,567 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,567 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:55,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,569 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,569 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,569 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 10:29:55,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 10:29:55,569 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 10:29:55,585 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,586 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,586 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 10:29:55,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 10:29:55,586 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,586 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:55,586 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:55,586 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:55,586 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,586 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:55,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,588 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,588 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,588 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:55,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:55,588 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:55,604 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,604 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,604 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:55,605 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:55,605 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:55,605 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,605 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:55,605 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,605 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,605 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,607 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,607 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,607 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:55,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:55,607 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:55,623 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,624 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,624 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:55,624 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,624 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,624 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,626 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,626 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,626 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:55,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:55,626 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:55,642 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,643 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,643 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:55,643 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,643 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,643 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,645 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,645 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,645 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:55,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:55,645 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:55,661 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,662 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,662 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:55,662 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,662 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,662 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,664 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,664 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,664 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:55,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:55,664 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:55,680 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,680 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,680 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:55,681 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,681 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,681 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,683 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,683 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,683 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:55,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:55,683 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:55,699 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,699 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,699 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:55,699 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,700 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,700 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,701 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,702 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,702 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:55,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:55,702 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:55,718 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,718 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,718 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:55,718 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,718 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,718 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,720 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,720 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,720 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:55,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:55,721 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:55,737 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,738 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,738 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:55,738 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,738 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,738 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,740 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,740 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,740 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:55,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:55,740 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:55,756 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,757 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,757 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:55,757 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,757 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,757 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,759 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,759 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,759 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:55,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:55,759 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:55,775 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,776 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,776 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:55,776 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:55,776 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:55,776 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,776 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:55,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,778 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,778 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,778 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:55,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:55,778 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:55,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,794 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,794 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:55,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:55,794 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,794 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:55,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,796 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,796 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,796 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 10:29:55,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 10:29:55,796 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 10:29:55,812 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,812 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,812 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 10:29:55,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 10:29:55,812 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,812 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:55,812 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:55,812 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:55,812 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,812 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:55,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,814 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,814 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,814 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:55,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:55,814 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:55,830 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,831 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,831 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:55,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:55,831 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,831 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:55,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,832 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,832 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,832 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:55,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:55,832 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:55,848 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,849 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,849 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:55,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:55,849 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,849 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:55,849 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:55,849 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:55,849 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,849 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:55,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,851 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,851 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,851 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:55,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:55,851 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:55,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,867 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,867 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:55,867 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:55,867 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:55,867 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,867 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:55,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,868 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,868 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:55,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:55,869 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:55,885 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,885 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,885 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:55,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:55,885 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,885 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:55,885 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:55,885 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:55,886 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,886 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:55,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,887 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,887 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,887 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:55,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:55,887 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:55,902 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,903 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,903 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:55,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:55,903 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,903 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:55,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,904 - INFO - number of orbitals:  116
+2024-12-09 10:29:55,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:55,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:55,905 - INFO - moving on ...
+2024-12-09 10:29:55,905 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:55,905 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:55,905 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:55,905 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,905 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:55,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,906 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,906 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,906 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:55,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:55,906 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:55,923 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,923 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,924 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:55,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:55,924 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,924 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:55,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,925 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,925 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,925 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:55,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:55,925 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:55,941 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,942 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,942 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:55,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:55,942 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,942 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:55,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,943 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,943 - INFO - number of supporting files: 2
+2024-12-09 10:29:55,943 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:55,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:55,943 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:55,958 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,958 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,959 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:55,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:55,959 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:55,959 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:55,959 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:55,959 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:55,959 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:55,959 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:55,959 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,959 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,959 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,961 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,961 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,961 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:55,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:55,961 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:55,976 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,977 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,977 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:55,977 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,977 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,977 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,979 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,979 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,979 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:55,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:55,979 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:55,995 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:55,995 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:55,995 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:55,995 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:55,996 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:55,996 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:55,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:55,997 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:55,998 - INFO - number of supporting files: 1
+2024-12-09 10:29:55,998 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:55,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:55,998 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:56,014 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,014 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,014 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:56,014 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,014 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,014 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,016 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,017 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,017 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:56,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:56,017 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:29:56,033 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,033 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,033 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:29:56,033 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,034 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,034 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,035 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,035 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,035 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:29:56,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:29:56,036 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:29:56,051 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,052 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,052 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:29:56,052 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,052 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,052 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,054 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,054 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,054 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:29:56,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:29:56,055 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:29:56,070 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,071 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,071 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:29:56,071 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,071 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,071 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,073 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,073 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,073 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:29:56,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:29:56,073 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:29:56,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,089 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,089 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:29:56,089 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,089 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,089 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,091 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,091 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:29:56,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:29:56,091 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:29:56,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,106 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,106 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:29:56,107 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,107 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,107 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,108 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,109 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,109 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:29:56,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:29:56,109 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:29:56,123 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,124 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,124 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:29:56,124 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,124 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,124 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,126 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,126 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,126 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:29:56,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:29:56,126 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:29:56,142 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,142 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,142 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:29:56,142 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,142 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,142 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,144 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,144 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,144 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:29:56,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:29:56,144 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:29:56,160 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,160 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,160 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:29:56,160 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,160 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,160 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,162 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,162 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,162 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:29:56,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:29:56,162 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:29:56,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,178 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,178 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:29:56,178 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:29:56,178 - INFO - problem_instance short name: be_0
+2024-12-09 10:29:56,178 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,178 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:29:56,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,179 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,179 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,180 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:29:56,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:29:56,180 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:29:56,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,196 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,196 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:29:56,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:29:56,196 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,196 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:29:56,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,197 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,197 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,197 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:29:56,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:29:56,198 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:29:56,212 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,213 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,213 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:29:56,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:29:56,213 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,213 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:29:56,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,214 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,215 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,215 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:29:56,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:29:56,215 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:29:56,231 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,231 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,231 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:29:56,231 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:29:56,231 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,231 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:29:56,232 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:29:56,232 - INFO - problem_instance short name: f2_0
+2024-12-09 10:29:56,232 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,232 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:29:56,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,233 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,233 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,233 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:29:56,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:29:56,233 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:29:56,249 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,249 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,249 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:29:56,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:29:56,249 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,249 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:29:56,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,251 - INFO - number of orbitals:  110
+2024-12-09 10:29:56,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,251 - INFO - moving on ...
+2024-12-09 10:29:56,251 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:29:56,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,252 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,252 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,252 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:29:56,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:29:56,253 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:29:56,269 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,269 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,269 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:29:56,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:29:56,269 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,269 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:29:56,269 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:29:56,269 - INFO - problem_instance short name: n2_0
+2024-12-09 10:29:56,269 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,269 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:29:56,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,271 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,271 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,271 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:29:56,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:29:56,271 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:29:56,287 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,287 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,287 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:29:56,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:29:56,287 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,287 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:29:56,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,289 - INFO - number of orbitals:  110
+2024-12-09 10:29:56,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,289 - INFO - moving on ...
+2024-12-09 10:29:56,289 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:29:56,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,290 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,290 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,290 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:29:56,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:29:56,290 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:29:56,306 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,307 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,307 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:29:56,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:29:56,307 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,307 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:29:56,307 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:29:56,307 - INFO - problem_instance short name: fe_red
+2024-12-09 10:29:56,307 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,307 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:29:56,307 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,307 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,307 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,309 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,309 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,309 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:29:56,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:29:56,309 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:29:56,325 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,326 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,326 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:29:56,326 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,326 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,326 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,328 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,328 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,328 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:29:56,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:29:56,328 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:29:56,344 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,345 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,345 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:29:56,345 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,345 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,345 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,347 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,347 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,347 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:29:56,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:29:56,347 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:29:56,363 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,363 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,364 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:29:56,364 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,364 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,364 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,366 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,366 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,366 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:29:56,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:29:56,366 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:29:56,383 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,383 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,383 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:29:56,383 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,383 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,383 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,385 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,385 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,385 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:29:56,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:29:56,386 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:29:56,402 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,402 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,402 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:29:56,402 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,402 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,402 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,404 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,404 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,404 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:29:56,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:29:56,405 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:29:56,421 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,421 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,421 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:29:56,421 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,422 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,422 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,423 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,423 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,423 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:29:56,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:29:56,424 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:29:56,440 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,440 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,440 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:29:56,440 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,441 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,441 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,443 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,443 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:29:56,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:29:56,443 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:29:56,459 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,459 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,459 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:29:56,460 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:56,460 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:56,460 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:56,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,461 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,462 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,462 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:29:56,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:29:56,462 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:29:56,478 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,479 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,479 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:29:56,479 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:29:56,479 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:29:56,479 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,479 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:29:56,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,481 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,481 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,481 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:29:56,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:29:56,481 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:29:56,497 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,498 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,498 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:29:56,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:29:56,498 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,498 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:29:56,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,499 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,499 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,499 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-09 10:29:56,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-09 10:29:56,499 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-09 10:29:56,516 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,516 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,516 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-09 10:29:56,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-09 10:29:56,516 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,516 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:29:56,516 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:29:56,516 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:29:56,516 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,516 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:29:56,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,518 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,518 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,518 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:29:56,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:29:56,518 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:29:56,535 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,535 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,535 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:29:56,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:29:56,535 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,535 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:29:56,535 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:29:56,535 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:29:56,535 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,535 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:29:56,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,537 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,537 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,537 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:29:56,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:29:56,537 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:29:56,553 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,553 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,553 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:29:56,554 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:29:56,554 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:29:56,554 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,554 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:29:56,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,555 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,555 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,555 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:29:56,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:29:56,555 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:29:56,571 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,571 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,571 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:29:56,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:29:56,571 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,571 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:29:56,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,573 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,573 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:29:56,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:29:56,573 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:29:56,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,589 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,589 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:29:56,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:29:56,589 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,589 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:29:56,589 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:29:56,590 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:29:56,590 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,590 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:29:56,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,591 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,591 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,591 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:29:56,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:29:56,591 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:29:56,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,608 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,608 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:29:56,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:29:56,608 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,608 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:29:56,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,609 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,609 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-09 10:29:56,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-09 10:29:56,609 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-09 10:29:56,625 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,626 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,626 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-09 10:29:56,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-09 10:29:56,626 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,626 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:29:56,626 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:29:56,626 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:29:56,626 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,626 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:29:56,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,628 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,628 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:29:56,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:29:56,628 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:29:56,643 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,644 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,644 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:29:56,644 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:29:56,644 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:29:56,644 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,644 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:29:56,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,646 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,646 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,646 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:29:56,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:29:56,646 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:29:56,662 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,662 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,662 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:29:56,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:29:56,662 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,662 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:29:56,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,664 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,664 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,664 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-09 10:29:56,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-09 10:29:56,664 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-09 10:29:56,681 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,681 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,681 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-09 10:29:56,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-09 10:29:56,681 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,681 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:29:56,681 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:29:56,682 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:29:56,682 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,682 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:29:56,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,683 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,683 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,683 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:29:56,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:29:56,683 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:29:56,700 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,701 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,701 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:29:56,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:29:56,701 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,701 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:29:56,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,703 - INFO - number of orbitals:  106
+2024-12-09 10:29:56,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,703 - INFO - moving on ...
+2024-12-09 10:29:56,703 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:29:56,703 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:29:56,703 - INFO - problem_instance short name: p2_0
+2024-12-09 10:29:56,703 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,703 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:29:56,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,705 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,705 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,705 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:29:56,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:29:56,705 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:29:56,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,722 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,722 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:29:56,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:29:56,722 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,722 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:29:56,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,724 - INFO - number of orbitals:  118
+2024-12-09 10:29:56,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,724 - INFO - moving on ...
+2024-12-09 10:29:56,724 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:29:56,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,725 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,725 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,725 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:29:56,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:29:56,725 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:29:56,743 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,743 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,743 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:29:56,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:29:56,743 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,743 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:29:56,743 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:29:56,744 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:29:56,744 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,744 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:29:56,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,745 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,745 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,745 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:29:56,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:29:56,746 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:29:56,762 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,762 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,762 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:29:56,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:29:56,762 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,762 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:29:56,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,764 - INFO - number of orbitals:  114
+2024-12-09 10:29:56,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,764 - INFO - moving on ...
+2024-12-09 10:29:56,764 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:29:56,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,765 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,765 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,765 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:29:56,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:29:56,765 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:29:56,781 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,782 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,782 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:29:56,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:29:56,782 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,782 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:29:56,782 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:29:56,782 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:29:56,782 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,782 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:29:56,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,784 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,784 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,784 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:29:56,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:29:56,784 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:29:56,800 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,801 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,801 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:29:56,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:29:56,801 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,801 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:29:56,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,802 - INFO - number of orbitals:  115
+2024-12-09 10:29:56,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:56,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:56,803 - INFO - moving on ...
+2024-12-09 10:29:56,803 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:29:56,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,804 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,804 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,804 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:29:56,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:29:56,804 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:29:56,820 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,820 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,820 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:29:56,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:29:56,820 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,820 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:29:56,821 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:29:56,821 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:29:56,821 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,821 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:29:56,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,822 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,822 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:29:56,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:29:56,822 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:29:56,838 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,839 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,839 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:29:56,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:29:56,839 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,839 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:29:56,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,840 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,840 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,840 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:29:56,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:29:56,840 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:29:56,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,857 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,857 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:29:56,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:29:56,857 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,857 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:29:56,858 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:29:56,858 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:29:56,858 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,858 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:29:56,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,859 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,859 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,859 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:29:56,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:29:56,859 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:29:56,875 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,876 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,876 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:29:56,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:29:56,876 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,876 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:29:56,876 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:29:56,876 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:29:56,876 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,876 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:29:56,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,878 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,878 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,878 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:29:56,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:29:56,878 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:29:56,894 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,895 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,895 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:29:56,895 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:29:56,895 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:29:56,895 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,895 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:29:56,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,897 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,897 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,897 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:29:56,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:29:56,897 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:29:56,913 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,913 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,913 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:29:56,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:29:56,914 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,914 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:29:56,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,915 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,915 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,915 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
+2024-12-09 10:29:56,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
+2024-12-09 10:29:56,915 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
+2024-12-09 10:29:56,931 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,932 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,932 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
+2024-12-09 10:29:56,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
+2024-12-09 10:29:56,932 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,932 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:29:56,932 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:29:56,932 - INFO - problem_instance short name: V_1
+2024-12-09 10:29:56,932 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,932 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:29:56,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,934 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,934 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,934 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:29:56,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:29:56,934 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:29:56,950 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,951 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,951 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:29:56,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:29:56,951 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,951 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:29:56,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,953 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,953 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
+2024-12-09 10:29:56,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
+2024-12-09 10:29:56,953 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
+2024-12-09 10:29:56,969 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,969 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,969 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
+2024-12-09 10:29:56,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
+2024-12-09 10:29:56,969 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:56,969 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:29:56,970 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:29:56,970 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:29:56,970 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,970 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:29:56,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,971 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,971 - INFO - number of supporting files: 1
+2024-12-09 10:29:56,971 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:29:56,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:29:56,971 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:29:56,987 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:56,988 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:29:56,988 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:29:56,988 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:29:56,988 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:29:56,988 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:56,988 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:29:56,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:56,990 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:56,990 - INFO - number of supporting files: 2
+2024-12-09 10:29:56,990 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:29:56,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:29:56,990 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:29:57,006 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,006 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,006 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:29:57,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:29:57,007 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,007 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:29:57,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,008 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,008 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,008 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
+2024-12-09 10:29:57,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
+2024-12-09 10:29:57,008 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
+2024-12-09 10:29:57,025 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,025 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,026 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
+2024-12-09 10:29:57,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
+2024-12-09 10:29:57,026 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,026 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:29:57,026 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:29:57,026 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:29:57,026 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,026 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:29:57,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,028 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,028 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,028 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:29:57,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:29:57,028 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:29:57,044 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,044 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,045 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:29:57,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:29:57,045 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,045 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:29:57,045 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:29:57,045 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:29:57,045 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,045 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:29:57,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,046 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,047 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,047 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:29:57,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:29:57,047 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:29:57,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,063 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,063 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:29:57,063 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:29:57,063 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:29:57,063 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,063 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:29:57,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,065 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,065 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,065 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:29:57,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:29:57,065 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:29:57,081 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,082 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,082 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:29:57,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:29:57,082 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,082 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:29:57,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,084 - INFO - number of orbitals:  116
+2024-12-09 10:29:57,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,084 - INFO - moving on ...
+2024-12-09 10:29:57,084 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:29:57,084 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:29:57,084 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:29:57,084 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,084 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:29:57,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,085 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,085 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:29:57,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:29:57,086 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:29:57,102 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,102 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,102 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:29:57,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:29:57,102 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,103 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:29:57,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,104 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,104 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
+2024-12-09 10:29:57,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
+2024-12-09 10:29:57,104 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
+2024-12-09 10:29:57,120 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,120 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,121 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
+2024-12-09 10:29:57,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
+2024-12-09 10:29:57,121 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,121 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:29:57,121 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:29:57,121 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:29:57,121 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,121 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:29:57,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,123 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,123 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:29:57,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:29:57,123 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:29:57,139 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,140 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,140 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:29:57,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:29:57,140 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,140 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:29:57,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,141 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,142 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,142 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
+2024-12-09 10:29:57,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
+2024-12-09 10:29:57,142 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
+2024-12-09 10:29:57,158 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,158 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,158 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
+2024-12-09 10:29:57,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
+2024-12-09 10:29:57,158 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,158 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:29:57,158 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:29:57,158 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:29:57,158 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,158 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:29:57,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,160 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,160 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,160 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:29:57,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:29:57,160 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:29:57,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,177 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,177 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:29:57,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:29:57,178 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,178 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:29:57,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,179 - INFO - number of orbitals:  110
+2024-12-09 10:29:57,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,179 - INFO - moving on ...
+2024-12-09 10:29:57,179 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:29:57,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,181 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,181 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:29:57,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:29:57,181 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:29:57,197 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,198 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,198 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:29:57,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:29:57,198 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,198 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:29:57,198 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:29:57,198 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:29:57,198 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,198 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:29:57,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,200 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,200 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,200 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:29:57,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:29:57,200 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:29:57,216 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,216 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,217 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:29:57,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:29:57,217 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,217 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:29:57,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,218 - INFO - number of orbitals:  135
+2024-12-09 10:29:57,218 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,218 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,218 - INFO - moving on ...
+2024-12-09 10:29:57,218 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:29:57,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,219 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,219 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,220 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
+2024-12-09 10:29:57,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
+2024-12-09 10:29:57,220 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,235 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,236 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,236 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
+2024-12-09 10:29:57,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
+2024-12-09 10:29:57,236 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,236 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:29:57,236 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:29:57,237 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:29:57,237 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,237 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:29:57,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,239 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,239 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,239 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:29:57,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:29:57,239 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:29:57,256 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,256 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,256 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:29:57,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:29:57,256 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,256 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:29:57,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,258 - INFO - number of orbitals:  119
+2024-12-09 10:29:57,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,258 - INFO - moving on ...
+2024-12-09 10:29:57,258 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:29:57,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,259 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,259 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,259 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:29:57,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:29:57,260 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:29:57,276 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,276 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,276 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:29:57,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:29:57,276 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,276 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:29:57,277 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:29:57,277 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:29:57,277 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,277 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:29:57,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,278 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,278 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:29:57,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:29:57,278 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:29:57,294 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,295 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,295 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:29:57,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:29:57,295 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,295 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:29:57,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,297 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,297 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,297 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:29:57,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:29:57,297 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:29:57,313 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,313 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,314 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:29:57,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:29:57,314 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,314 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:29:57,314 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:29:57,314 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:29:57,314 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,314 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:29:57,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,315 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,315 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,315 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:29:57,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:29:57,316 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:29:57,331 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,331 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,332 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:29:57,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:29:57,332 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,332 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:29:57,332 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:29:57,332 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:29:57,332 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,332 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:29:57,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,333 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,333 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,333 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:29:57,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:29:57,333 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:29:57,350 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,350 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,350 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:29:57,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:29:57,350 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,350 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:29:57,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,352 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,352 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,352 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
+2024-12-09 10:29:57,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
+2024-12-09 10:29:57,352 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
+2024-12-09 10:29:57,369 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,370 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,370 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
+2024-12-09 10:29:57,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
+2024-12-09 10:29:57,370 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,370 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:29:57,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,372 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,372 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,372 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:29:57,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:29:57,372 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,390 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,390 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,390 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:29:57,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:29:57,390 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,390 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:29:57,391 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:29:57,391 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:29:57,391 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,391 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:29:57,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,392 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,392 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,392 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:29:57,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:29:57,393 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:29:57,409 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,409 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,409 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:29:57,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:29:57,409 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,410 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:29:57,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,411 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,411 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,411 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
+2024-12-09 10:29:57,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
+2024-12-09 10:29:57,411 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
+2024-12-09 10:29:57,428 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,428 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,428 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
+2024-12-09 10:29:57,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
+2024-12-09 10:29:57,428 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,428 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:29:57,429 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:29:57,429 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:29:57,429 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,429 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:29:57,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,430 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,430 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:29:57,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:29:57,430 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:29:57,447 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,447 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,448 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:29:57,448 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:29:57,448 - INFO - problem_instance short name: O_0
+2024-12-09 10:29:57,448 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,448 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:29:57,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,450 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,450 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,450 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:29:57,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:29:57,450 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:29:57,466 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,466 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,467 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:29:57,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:29:57,467 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,467 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:29:57,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,468 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,468 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,468 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:29:57,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:29:57,468 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:29:57,484 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,485 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,485 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:29:57,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:29:57,485 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,485 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:29:57,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,486 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,486 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,486 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:29:57,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:29:57,486 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:29:57,502 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,502 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,502 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:29:57,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:29:57,503 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,503 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:29:57,503 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:29:57,503 - INFO - problem_instance short name: ozone
+2024-12-09 10:29:57,503 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,503 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:29:57,503 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,503 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,503 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,505 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,505 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,505 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:29:57,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:29:57,505 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:29:57,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,521 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,521 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:29:57,521 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,521 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,521 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,523 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,523 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,523 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:29:57,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:29:57,523 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:29:57,540 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,540 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,540 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:29:57,540 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,541 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,541 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,543 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,543 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,543 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
+2024-12-09 10:29:57,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
+2024-12-09 10:29:57,543 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,559 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,559 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,559 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:29:57,560 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,560 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,560 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,562 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,562 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,562 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:29:57,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:29:57,562 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:29:57,578 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,578 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,578 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:29:57,578 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,578 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,578 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,580 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,580 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,580 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:29:57,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:29:57,580 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:29:57,597 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,597 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,597 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:29:57,597 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,597 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,597 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,599 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,599 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,599 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
+2024-12-09 10:29:57,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
+2024-12-09 10:29:57,599 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
+2024-12-09 10:29:57,615 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,616 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,616 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:29:57,616 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:29:57,616 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:29:57,616 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,616 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:29:57,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,618 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,618 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,618 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:29:57,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:29:57,618 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:29:57,634 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,634 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,634 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:29:57,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:29:57,635 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,635 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:29:57,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,636 - INFO - number of orbitals:  115
+2024-12-09 10:29:57,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
+2024-12-09 10:29:57,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:57,636 - INFO - moving on ...
+2024-12-09 10:29:57,636 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:29:57,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,637 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,637 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,638 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:29:57,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:29:57,638 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:29:57,654 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,654 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,654 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:29:57,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:29:57,654 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,654 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:29:57,654 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:29:57,654 - INFO - problem_instance short name: VO_0
+2024-12-09 10:29:57,654 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,654 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:29:57,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,656 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,656 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,656 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:29:57,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:29:57,656 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:29:57,672 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,672 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,672 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:29:57,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:29:57,672 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:29:57,672 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:29:57,672 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:29:57,672 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,672 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:29:57,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,674 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,674 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,674 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:29:57,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:29:57,674 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:29:57,689 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,690 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,690 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:29:57,690 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:29:57,690 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:29:57,690 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,690 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:29:57,690 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,690 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,690 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,692 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,692 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,692 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:29:57,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:29:57,692 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:29:57,709 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,709 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,709 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:29:57,709 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,710 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,710 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,711 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,711 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,711 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:29:57,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:29:57,712 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:29:57,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,727 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,727 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:29:57,728 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,728 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,728 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,729 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,730 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,730 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:29:57,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:29:57,730 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:29:57,745 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,746 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,746 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:29:57,746 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,746 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,746 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,748 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,748 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,748 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:29:57,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:29:57,748 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:29:57,764 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,765 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,765 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:29:57,765 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,765 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,765 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,767 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,767 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,767 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:29:57,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:29:57,767 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:29:57,783 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,783 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,784 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:29:57,784 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,784 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,784 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,786 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,786 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,786 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:29:57,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:29:57,786 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:29:57,802 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,802 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,803 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:29:57,803 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:29:57,803 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:29:57,803 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,803 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:29:57,803 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,803 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,803 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,805 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,805 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,805 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:29:57,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:29:57,805 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,821 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,821 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,822 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:29:57,822 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,822 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,822 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,823 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,824 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,824 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:29:57,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:29:57,824 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:29:57,839 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,840 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,840 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:29:57,840 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,840 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,840 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,842 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,842 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,842 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:29:57,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:29:57,842 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:29:57,858 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,858 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,858 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:29:57,859 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:29:57,859 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:29:57,859 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,859 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:29:57,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,860 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,860 - INFO - number of supporting files: 2
+2024-12-09 10:29:57,860 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:29:57,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:29:57,860 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:29:57,877 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,877 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,877 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:29:57,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:29:57,877 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:57,877 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:29:57,878 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:29:57,878 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:29:57,878 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:29:57,878 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:29:57,878 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,878 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,878 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,880 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,880 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,880 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:29:57,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:29:57,880 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:29:57,897 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,897 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,897 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:29:57,897 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,897 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,897 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,899 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,899 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,899 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:29:57,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:29:57,899 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:29:57,916 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,916 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,916 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:29:57,916 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,917 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,917 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,919 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,919 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,919 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:29:57,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:29:57,919 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:29:57,935 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,936 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,936 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:29:57,936 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,936 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,936 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,938 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,938 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,938 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:29:57,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:29:57,938 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:29:57,954 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,955 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,955 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:29:57,955 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,955 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,955 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,957 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,957 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,957 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:29:57,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:29:57,957 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:29:57,973 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,974 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,974 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:29:57,974 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,974 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,974 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,976 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,976 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,976 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:29:57,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:29:57,976 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:29:57,992 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:57,992 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:29:57,992 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:29:57,993 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:57,993 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:57,993 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:57,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:57,994 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:57,995 - INFO - number of supporting files: 1
+2024-12-09 10:29:57,995 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:29:57,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:29:57,995 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:29:58,011 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,011 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,011 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:29:58,011 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,011 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,011 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,013 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,013 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:29:58,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:29:58,013 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:29:58,029 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,030 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,030 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:29:58,030 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,030 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,030 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,032 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,032 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,032 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:29:58,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:29:58,032 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:29:58,048 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,048 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,048 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:29:58,048 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,048 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,049 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,050 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,050 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,050 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:29:58,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:29:58,051 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:29:58,067 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,068 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,068 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:29:58,068 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,068 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,068 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,070 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,070 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,070 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:29:58,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:29:58,070 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:29:58,087 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,087 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,087 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:29:58,087 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,087 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,087 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,089 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,089 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,089 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:29:58,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:29:58,089 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:29:58,106 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,106 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,106 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:29:58,106 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,106 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,106 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,108 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,108 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,108 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:29:58,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:29:58,109 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:29:58,125 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,125 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,126 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:29:58,126 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,126 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,126 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,128 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,128 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,128 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:29:58,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:29:58,128 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:29:58,144 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,145 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,145 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:29:58,145 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,145 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,145 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,147 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,147 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,147 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:29:58,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:29:58,147 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:29:58,163 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,163 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,163 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:29:58,163 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,163 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,163 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,165 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,165 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:29:58,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:29:58,165 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:29:58,181 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,181 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,181 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:29:58,182 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:29:58,182 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:29:58,182 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,182 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:29:58,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,183 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,183 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,183 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:29:58,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:29:58,183 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:29:58,199 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,199 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,199 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:29:58,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:29:58,199 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,199 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:29:58,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,200 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,201 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,201 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
+2024-12-09 10:29:58,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
+2024-12-09 10:29:58,201 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
+2024-12-09 10:29:58,215 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,216 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,216 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
+2024-12-09 10:29:58,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
+2024-12-09 10:29:58,216 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,216 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:29:58,216 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:29:58,216 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:29:58,216 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,216 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:29:58,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,218 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,218 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,218 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:29:58,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:29:58,218 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:29:58,234 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,234 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,234 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:29:58,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:29:58,234 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,234 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:29:58,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,236 - INFO - number of orbitals:  118
+2024-12-09 10:29:58,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,236 - INFO - moving on ...
+2024-12-09 10:29:58,236 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:29:58,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,237 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,237 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:29:58,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:29:58,237 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:29:58,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,253 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,253 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:29:58,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:29:58,253 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,253 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:29:58,254 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:29:58,254 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:29:58,254 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,254 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:29:58,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,255 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,255 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:29:58,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:29:58,255 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:29:58,272 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,272 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,272 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:29:58,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:29:58,272 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,272 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:29:58,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,274 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,274 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,274 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:29:58,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:29:58,274 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:29:58,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,290 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,291 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:29:58,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:29:58,291 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,291 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:29:58,291 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:29:58,291 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:29:58,291 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,291 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:29:58,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,293 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,293 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:29:58,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:29:58,293 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,309 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,309 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:29:58,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:29:58,309 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,309 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:29:58,309 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:29:58,309 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:29:58,309 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,309 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:29:58,310 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,310 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,310 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,312 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,312 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:29:58,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:29:58,312 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:29:58,327 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,327 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,327 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:29:58,327 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,327 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,328 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,329 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,330 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,330 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:29:58,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:29:58,330 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:29:58,345 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,346 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,346 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:29:58,346 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,346 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,346 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,348 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,348 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,348 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:29:58,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:29:58,348 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,364 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,364 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,364 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:29:58,364 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,365 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,365 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,367 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,367 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,367 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:29:58,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:29:58,367 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,383 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,384 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,384 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:29:58,384 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,384 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,384 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,386 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,386 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,386 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:29:58,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:29:58,386 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:29:58,403 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,403 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,403 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:29:58,403 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,403 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,403 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,405 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,405 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,405 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:29:58,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:29:58,405 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:29:58,421 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,422 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,422 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:29:58,422 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,422 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,422 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,424 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,424 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,424 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:29:58,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:29:58,424 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:29:58,440 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,440 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,440 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:29:58,440 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,440 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,440 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,442 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,442 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:29:58,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:29:58,442 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:29:58,458 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,459 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,459 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:29:58,459 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,459 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,459 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,461 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,461 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,461 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:29:58,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:29:58,461 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:29:58,477 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,477 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,477 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:29:58,477 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,477 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,477 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,479 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,479 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,479 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:29:58,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:29:58,479 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:29:58,496 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,496 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,496 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:29:58,496 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,497 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,497 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,498 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,498 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,499 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:29:58,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:29:58,499 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,515 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,515 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,515 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:29:58,515 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,515 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,515 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,517 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,517 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:29:58,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:29:58,518 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:29:58,534 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,534 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,534 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:29:58,535 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:29:58,535 - INFO - problem_instance short name: benzene
+2024-12-09 10:29:58,535 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,535 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:29:58,535 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,535 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,535 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,537 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,537 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,537 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:29:58,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:29:58,537 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:29:58,554 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,554 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,554 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:29:58,554 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,554 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,554 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,556 - INFO - number of orbitals:  108
+2024-12-09 10:29:58,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,557 - INFO - moving on ...
+2024-12-09 10:29:58,557 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:29:58,557 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:29:58,557 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:29:58,557 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,557 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:29:58,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,558 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,558 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,558 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:29:58,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:29:58,558 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:29:58,574 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,574 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,575 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:29:58,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:29:58,575 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,575 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:29:58,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,576 - INFO - number of orbitals:  135
+2024-12-09 10:29:58,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,576 - INFO - moving on ...
+2024-12-09 10:29:58,576 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:29:58,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,578 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,578 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,578 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:29:58,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:29:58,578 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:29:58,595 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,595 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,595 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:29:58,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:29:58,595 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,595 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:29:58,596 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:29:58,596 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:29:58,596 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,596 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:29:58,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,597 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,597 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,597 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:29:58,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:29:58,597 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:29:58,613 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,614 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,614 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:29:58,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:29:58,614 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,614 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:29:58,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,616 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,616 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,616 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:29:58,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:29:58,616 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:29:58,632 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,633 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,633 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:29:58,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:29:58,633 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,633 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:29:58,633 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:29:58,633 - INFO - problem_instance short name: V_0
+2024-12-09 10:29:58,633 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,633 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:29:58,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,635 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,635 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,635 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:29:58,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:29:58,635 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:29:58,651 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,652 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,652 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:29:58,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:29:58,652 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,652 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:29:58,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,654 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,654 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,654 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:29:58,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:29:58,654 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:29:58,670 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,670 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,670 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:29:58,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:29:58,671 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,671 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:29:58,671 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:29:58,671 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:29:58,671 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,671 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:29:58,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,672 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,672 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,672 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:29:58,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:29:58,673 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:29:58,689 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,689 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,689 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:29:58,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:29:58,690 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,690 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:29:58,690 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:29:58,690 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:29:58,690 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,690 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:29:58,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,692 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,692 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,692 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:29:58,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:29:58,692 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:29:58,709 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,710 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,710 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:29:58,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:29:58,710 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,710 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:29:58,710 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:29:58,710 - INFO - problem_instance short name: na2_0
+2024-12-09 10:29:58,710 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,710 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:29:58,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,712 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,712 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,712 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:29:58,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:29:58,712 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:29:58,729 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,729 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,729 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:29:58,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:29:58,729 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,729 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:29:58,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,731 - INFO - number of orbitals:  118
+2024-12-09 10:29:58,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,731 - INFO - moving on ...
+2024-12-09 10:29:58,731 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:29:58,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,732 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,732 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,732 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:29:58,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:29:58,732 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:29:58,748 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,749 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,749 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:29:58,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:29:58,749 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,749 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:29:58,749 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:29:58,749 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:29:58,749 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,749 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:29:58,749 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,750 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,750 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,752 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,752 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,752 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:29:58,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:29:58,752 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,768 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,769 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,769 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:29:58,769 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,769 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,769 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,771 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,771 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,771 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:29:58,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:29:58,771 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:29:58,788 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,788 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,788 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:29:58,788 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,788 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,788 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,790 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,791 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,791 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:29:58,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:29:58,791 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:29:58,807 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,808 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,808 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:29:58,808 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,808 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,808 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,810 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,810 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,810 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:29:58,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:29:58,810 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:29:58,827 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,827 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,827 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:29:58,827 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,827 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,827 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,829 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,829 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,829 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:29:58,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:29:58,830 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:29:58,846 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,846 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,846 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:29:58,846 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,847 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,847 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,849 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,849 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,849 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:29:58,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:29:58,849 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:29:58,866 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,866 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,866 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:29:58,867 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,867 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,867 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,869 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,869 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,869 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:29:58,870 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:29:58,870 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:29:58,887 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,887 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,887 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:29:58,887 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:58,887 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:58,888 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:58,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,890 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,890 - INFO - number of supporting files: 1
+2024-12-09 10:29:58,890 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:29:58,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:29:58,890 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:29:58,906 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,907 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,907 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:29:58,907 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:29:58,907 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:29:58,907 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,907 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:29:58,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,909 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,909 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,909 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:29:58,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:29:58,909 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:29:58,925 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,925 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,926 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:29:58,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:29:58,926 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,926 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:29:58,926 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:29:58,926 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:29:58,926 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,926 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:29:58,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,928 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,928 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:29:58,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:29:58,928 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:29:58,944 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,944 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,945 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:29:58,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:29:58,945 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,945 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:29:58,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,946 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,946 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,946 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:29:58,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:29:58,946 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:29:58,962 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,963 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,963 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:29:58,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:29:58,963 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,963 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:29:58,963 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:29:58,963 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:29:58,963 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:58,963 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:29:58,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,965 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,965 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:29:58,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:29:58,965 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:29:58,981 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:58,981 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:29:58,981 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:29:58,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:29:58,981 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:58,981 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:29:58,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,983 - INFO - number of orbitals:  119
+2024-12-09 10:29:58,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:58,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:58,983 - INFO - moving on ...
+2024-12-09 10:29:58,983 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:29:58,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:58,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:58,984 - INFO - number of supporting files: 2
+2024-12-09 10:29:58,984 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:29:58,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:29:58,984 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:29:59,001 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,001 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,001 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:29:59,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:29:59,002 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,002 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:29:59,002 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:29:59,002 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:29:59,002 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,002 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:29:59,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,003 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,003 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,003 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:29:59,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:29:59,004 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:29:59,020 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,020 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,021 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:29:59,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:29:59,021 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,021 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:29:59,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,022 - INFO - number of orbitals:  135
+2024-12-09 10:29:59,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,022 - INFO - moving on ...
+2024-12-09 10:29:59,022 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:29:59,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,024 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,024 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,024 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:29:59,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:29:59,024 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:29:59,040 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,041 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,041 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:29:59,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:29:59,041 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,041 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:29:59,041 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:29:59,041 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:29:59,041 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,041 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:29:59,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,043 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,043 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,043 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:29:59,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:29:59,043 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:29:59,060 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,061 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,061 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:29:59,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:29:59,061 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,061 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:29:59,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,062 - INFO - number of orbitals:  118
+2024-12-09 10:29:59,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,063 - INFO - moving on ...
+2024-12-09 10:29:59,063 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:29:59,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,064 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,064 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,064 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:29:59,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:29:59,064 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:29:59,082 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,082 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,083 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:29:59,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:29:59,083 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,083 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:29:59,083 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:29:59,083 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:29:59,083 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,083 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:29:59,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,085 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,085 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:29:59,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:29:59,085 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:29:59,101 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,102 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,102 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:29:59,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:29:59,102 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,102 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:29:59,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,104 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,104 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:29:59,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:29:59,104 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:29:59,121 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,122 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,122 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:29:59,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:29:59,122 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,122 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:29:59,122 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:29:59,122 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:29:59,122 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,122 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:29:59,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,124 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,124 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,124 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:29:59,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:29:59,124 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:29:59,140 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,141 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,141 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:29:59,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:29:59,141 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,141 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:29:59,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,143 - INFO - number of orbitals:  110
+2024-12-09 10:29:59,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,143 - INFO - moving on ...
+2024-12-09 10:29:59,143 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:29:59,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,145 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,145 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,145 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:29:59,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:29:59,145 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:29:59,162 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,162 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,162 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:29:59,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:29:59,163 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,163 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:29:59,163 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:29:59,163 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:29:59,163 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,163 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:29:59,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,165 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,165 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,165 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:29:59,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:29:59,165 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:29:59,182 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,183 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,183 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:29:59,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:29:59,183 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,183 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:29:59,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,185 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,185 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,185 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 10:29:59,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 10:29:59,185 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 10:29:59,201 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,202 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,202 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 10:29:59,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 10:29:59,202 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,202 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:29:59,202 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:29:59,202 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:29:59,202 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,202 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:29:59,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,204 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,204 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:29:59,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:29:59,204 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:29:59,221 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,221 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,221 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:29:59,221 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:29:59,221 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:29:59,221 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,222 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:29:59,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,223 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,223 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:29:59,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:29:59,223 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:29:59,240 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,240 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,240 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:29:59,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:29:59,240 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,240 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:29:59,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,242 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,242 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 10:29:59,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 10:29:59,242 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 10:29:59,258 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,259 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,259 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 10:29:59,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 10:29:59,259 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,259 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:29:59,259 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:29:59,259 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:29:59,259 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,259 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:29:59,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,261 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,261 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,261 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:29:59,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:29:59,261 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:29:59,279 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,279 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,279 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:29:59,279 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:29:59,280 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:29:59,280 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,280 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:29:59,280 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,280 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,280 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,282 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,282 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,282 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:29:59,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:29:59,282 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:29:59,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,299 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,300 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:29:59,300 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,300 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,300 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,302 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,302 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,302 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:29:59,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:29:59,302 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:29:59,319 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,319 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,319 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:29:59,320 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,320 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,320 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,322 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,322 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,322 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:29:59,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:29:59,322 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:29:59,338 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,338 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,338 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:29:59,339 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,339 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,339 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,341 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,341 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,341 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:29:59,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:29:59,341 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:29:59,358 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,358 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,358 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:29:59,359 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:29:59,359 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:29:59,359 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,359 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:29:59,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,360 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,360 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,360 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:29:59,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:29:59,361 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:29:59,377 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,377 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,378 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:29:59,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:29:59,378 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,378 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:29:59,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,379 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,379 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,379 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:29:59,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:29:59,380 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:29:59,396 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,397 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,397 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:29:59,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:29:59,397 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,397 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:29:59,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,398 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,398 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,398 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:29:59,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:29:59,399 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:29:59,415 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,416 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,416 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:29:59,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:29:59,416 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,416 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:29:59,416 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:29:59,416 - INFO - problem_instance short name: li2_0
+2024-12-09 10:29:59,416 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,416 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:29:59,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,418 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,418 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,418 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:29:59,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:29:59,418 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:29:59,434 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,435 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,435 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:29:59,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:29:59,435 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,435 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:29:59,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,437 - INFO - number of orbitals:  110
+2024-12-09 10:29:59,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,437 - INFO - moving on ...
+2024-12-09 10:29:59,437 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:29:59,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,438 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,438 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,438 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:29:59,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:29:59,438 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:29:59,456 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,457 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,457 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:29:59,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:29:59,457 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,457 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:29:59,458 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:29:59,458 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:29:59,458 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,458 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:29:59,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,460 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,460 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,460 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:29:59,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:29:59,460 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:29:59,478 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,478 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,478 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:29:59,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:29:59,478 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,478 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:29:59,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,480 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,480 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,480 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:29:59,480 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:29:59,480 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:29:59,496 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,497 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,497 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:29:59,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:29:59,497 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,497 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:29:59,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,499 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,499 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,499 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:29:59,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:29:59,499 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:29:59,514 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,515 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,515 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:29:59,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:29:59,515 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,515 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:29:59,515 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:29:59,515 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:29:59,515 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,515 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:29:59,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,517 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,517 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:29:59,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:29:59,517 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:29:59,533 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,533 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,533 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:29:59,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:29:59,534 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,534 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:29:59,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,535 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,535 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,535 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 10:29:59,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 10:29:59,535 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 10:29:59,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,551 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,552 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 10:29:59,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 10:29:59,552 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,552 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:29:59,552 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:29:59,552 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:29:59,552 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,552 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:29:59,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,553 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,553 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,554 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:29:59,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:29:59,554 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:29:59,570 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,570 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,570 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:29:59,571 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:29:59,571 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:29:59,571 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,571 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:29:59,571 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,571 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,571 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,573 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,573 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:29:59,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:29:59,573 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:29:59,590 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,590 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,590 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:29:59,590 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,591 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,591 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,593 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,593 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:29:59,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:29:59,593 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:29:59,609 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,610 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,610 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:29:59,610 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,610 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,610 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,612 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,612 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,612 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:29:59,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:29:59,612 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:29:59,629 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,629 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,629 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:29:59,630 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,630 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,630 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,632 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,632 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,632 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:29:59,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:29:59,632 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:29:59,648 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,649 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,649 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:29:59,649 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,649 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,649 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,651 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,651 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,651 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:29:59,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:29:59,651 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:29:59,667 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,668 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,668 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:29:59,668 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,668 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,668 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,670 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,670 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,670 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:29:59,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:29:59,670 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:29:59,686 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,686 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,686 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:29:59,686 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,686 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,686 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,688 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,688 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,688 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:29:59,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:29:59,689 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:29:59,704 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,705 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,705 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:29:59,705 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,705 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,705 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,707 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,707 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,707 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:29:59,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:29:59,707 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:29:59,723 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,724 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,724 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:29:59,724 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,724 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,724 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,726 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,726 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,726 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:29:59,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:29:59,726 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:29:59,742 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,743 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,743 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:29:59,743 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:29:59,743 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:29:59,743 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,743 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:29:59,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,745 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,745 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,745 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:29:59,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:29:59,745 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:29:59,761 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,762 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,762 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:29:59,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:29:59,762 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,762 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:29:59,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,763 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,763 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,763 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 10:29:59,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 10:29:59,764 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 10:29:59,779 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,780 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,780 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 10:29:59,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 10:29:59,780 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,780 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:29:59,780 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:29:59,780 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:29:59,780 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,781 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:29:59,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,782 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,782 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,782 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:29:59,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:29:59,782 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:29:59,799 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,799 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,800 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:29:59,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:29:59,800 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,800 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:29:59,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,801 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,801 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,801 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:29:59,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:29:59,801 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:29:59,817 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,818 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,818 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:29:59,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:29:59,818 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,818 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:29:59,818 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:29:59,818 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:29:59,818 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,818 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:29:59,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,819 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,820 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,820 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:29:59,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:29:59,820 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:29:59,835 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,835 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,835 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:29:59,835 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:29:59,836 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:29:59,836 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,836 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:29:59,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,837 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,837 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,838 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:29:59,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:29:59,838 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:29:59,854 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,854 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,854 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:29:59,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:29:59,855 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,855 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:29:59,855 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:29:59,855 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:29:59,855 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,855 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:29:59,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,856 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,856 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,856 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:29:59,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:29:59,857 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:29:59,873 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,873 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,873 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:29:59,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:29:59,873 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,873 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:29:59,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,875 - INFO - number of orbitals:  116
+2024-12-09 10:29:59,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:29:59,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:29:59,875 - INFO - moving on ...
+2024-12-09 10:29:59,875 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:29:59,875 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:29:59,875 - INFO - problem_instance short name: O_1
+2024-12-09 10:29:59,875 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,875 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:29:59,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,877 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,877 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,877 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:29:59,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:29:59,877 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:29:59,893 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,893 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,893 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:29:59,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:29:59,894 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,894 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:29:59,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,895 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,895 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,895 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:29:59,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:29:59,895 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:29:59,911 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,911 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,912 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:29:59,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:29:59,912 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,912 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:29:59,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,913 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,913 - INFO - number of supporting files: 2
+2024-12-09 10:29:59,913 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:29:59,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:29:59,913 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:29:59,931 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,931 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,931 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:29:59,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:29:59,931 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:29:59,931 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:29:59,931 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:29:59,932 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:29:59,932 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:29:59,932 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:29:59,932 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,932 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,932 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,934 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,934 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,934 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:29:59,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:29:59,934 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:29:59,951 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,951 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,951 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:29:59,951 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,953 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,954 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,954 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:29:59,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:29:59,954 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:29:59,970 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,970 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,970 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:29:59,970 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,970 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,970 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,972 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,972 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:29:59,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:29:59,973 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:29:59,988 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:29:59,989 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:29:59,989 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:29:59,989 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:29:59,989 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:29:59,989 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:29:59,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:29:59,991 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:29:59,991 - INFO - number of supporting files: 1
+2024-12-09 10:29:59,991 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:29:59,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:29:59,991 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:30:00,009 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,009 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,010 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:30:00,010 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,013 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,013 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,013 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:30:00,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:30:00,013 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:30:00,030 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,031 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,031 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:30:00,031 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,031 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,031 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,033 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,033 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,033 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:30:00,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:30:00,033 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:30:00,049 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,050 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,050 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:30:00,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,050 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,050 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,052 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,052 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,052 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:30:00,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:30:00,052 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:30:00,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,069 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,069 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:30:00,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,072 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,072 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:30:00,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:30:00,072 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:30:00,089 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,089 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,089 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:30:00,089 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,089 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,089 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,091 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,091 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:30:00,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:30:00,091 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:30:00,108 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,108 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,108 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:30:00,108 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,109 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,109 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,111 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,111 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,111 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:30:00,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:30:00,111 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:30:00,127 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,127 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,127 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:30:00,127 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,127 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,128 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,129 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,129 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:30:00,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:30:00,130 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:30:00,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,146 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,146 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:30:00,146 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,146 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,146 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,148 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,148 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:30:00,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:30:00,148 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:30:00,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,165 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,165 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:30:00,166 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:30:00,166 - INFO - problem_instance short name: be_0
+2024-12-09 10:30:00,166 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,166 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:30:00,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,168 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,168 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:30:00,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:30:00,168 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:30:00,185 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,186 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,186 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:30:00,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:30:00,186 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,186 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:30:00,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,188 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,188 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,188 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:30:00,188 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:30:00,188 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:30:00,205 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,205 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,205 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:30:00,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:30:00,206 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,206 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:30:00,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,207 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,207 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:30:00,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:30:00,207 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:30:00,224 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,224 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,225 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:30:00,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:30:00,225 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,225 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:30:00,225 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:30:00,225 - INFO - problem_instance short name: f2_0
+2024-12-09 10:30:00,225 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,225 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:30:00,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,227 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,227 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:30:00,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:30:00,227 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:30:00,243 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,243 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,244 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:30:00,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:30:00,244 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,244 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:30:00,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,245 - INFO - number of orbitals:  110
+2024-12-09 10:30:00,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,245 - INFO - moving on ...
+2024-12-09 10:30:00,245 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:30:00,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,247 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,247 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,247 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:30:00,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:30:00,247 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:30:00,263 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,264 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,264 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:30:00,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:30:00,264 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,264 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:30:00,264 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:30:00,264 - INFO - problem_instance short name: n2_0
+2024-12-09 10:30:00,264 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,264 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:30:00,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,266 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,266 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:30:00,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:30:00,266 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:30:00,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,283 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,283 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:30:00,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:30:00,283 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,283 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:30:00,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,284 - INFO - number of orbitals:  110
+2024-12-09 10:30:00,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,285 - INFO - moving on ...
+2024-12-09 10:30:00,285 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:30:00,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,286 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,286 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,286 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:30:00,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:30:00,286 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:30:00,304 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,305 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,305 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:30:00,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:30:00,305 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,305 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:30:00,305 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:30:00,305 - INFO - problem_instance short name: fe_red
+2024-12-09 10:30:00,305 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,305 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:30:00,305 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,306 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,306 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,307 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,308 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,308 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:30:00,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:30:00,308 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:30:00,324 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,324 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,324 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:30:00,325 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,325 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,325 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,327 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,327 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,327 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:30:00,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:30:00,327 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:30:00,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,343 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,343 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:30:00,344 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,344 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,344 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,346 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,346 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,346 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:30:00,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:30:00,346 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:30:00,362 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,363 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,363 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:30:00,363 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,363 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,363 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,365 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,365 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,365 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:30:00,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:30:00,365 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:30:00,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,381 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,382 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:30:00,382 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,382 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,382 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,384 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,384 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,384 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:30:00,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:30:00,384 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:30:00,401 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,401 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,401 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:30:00,401 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,401 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,401 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,403 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,403 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,403 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:30:00,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:30:00,404 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:30:00,420 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,420 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,421 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:30:00,421 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,421 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,421 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,423 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,423 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,423 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:30:00,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:30:00,423 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:30:00,439 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,440 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,440 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:30:00,440 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,440 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,440 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,443 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,443 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:30:00,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:30:00,443 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:30:00,460 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,461 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,461 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:30:00,461 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:00,461 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:00,461 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:00,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,463 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,463 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,463 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:30:00,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:30:00,464 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:30:00,481 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,481 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,481 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:30:00,481 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:30:00,481 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:30:00,481 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,481 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:30:00,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,483 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,483 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,483 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:30:00,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:30:00,483 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:30:00,499 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,500 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,500 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:30:00,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:30:00,500 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,500 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:30:00,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,502 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,502 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,502 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-09 10:30:00,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-09 10:30:00,502 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-09 10:30:00,517 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,518 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,518 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-09 10:30:00,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-09 10:30:00,518 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,518 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:30:00,518 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:30:00,518 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:30:00,518 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,518 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:30:00,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,520 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,520 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,520 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:30:00,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:30:00,520 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:30:00,537 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,537 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,538 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:30:00,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:30:00,538 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,538 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:30:00,538 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:30:00,538 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:30:00,538 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,538 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:30:00,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,540 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,540 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,540 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:30:00,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:30:00,540 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:30:00,557 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,557 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,557 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:30:00,558 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:30:00,558 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:30:00,558 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,558 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:30:00,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,559 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,559 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,559 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:30:00,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:30:00,559 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:30:00,576 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,576 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,577 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:30:00,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:30:00,577 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,577 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:30:00,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,579 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,579 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,579 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:30:00,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:30:00,579 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:30:00,598 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,599 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,599 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:30:00,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:30:00,599 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,599 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:30:00,599 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:30:00,599 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:30:00,599 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,599 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:30:00,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,601 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,601 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,601 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:30:00,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:30:00,601 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:30:00,618 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,618 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,619 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:30:00,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:30:00,619 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,619 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:30:00,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,620 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,620 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,620 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-09 10:30:00,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-09 10:30:00,621 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-09 10:30:00,637 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,637 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,637 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-09 10:30:00,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-09 10:30:00,637 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,637 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:30:00,637 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:30:00,637 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:30:00,638 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,638 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:30:00,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,639 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,639 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,639 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:30:00,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:30:00,639 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:30:00,655 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,656 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,656 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:30:00,656 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:30:00,656 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:30:00,656 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,656 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:30:00,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,658 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,658 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,658 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:30:00,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:30:00,658 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:30:00,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,675 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,675 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:30:00,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:30:00,675 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,675 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:30:00,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,677 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,677 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,677 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-09 10:30:00,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-09 10:30:00,677 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-09 10:30:00,695 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,696 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,696 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-09 10:30:00,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-09 10:30:00,696 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,696 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:30:00,696 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:30:00,696 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:30:00,696 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,696 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:30:00,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,698 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,698 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,698 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:30:00,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:30:00,698 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:30:00,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,715 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,715 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:30:00,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:30:00,715 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,715 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:30:00,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,717 - INFO - number of orbitals:  106
+2024-12-09 10:30:00,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,717 - INFO - moving on ...
+2024-12-09 10:30:00,717 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:30:00,717 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:30:00,717 - INFO - problem_instance short name: p2_0
+2024-12-09 10:30:00,717 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,717 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:30:00,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,719 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,719 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,719 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:30:00,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:30:00,719 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:30:00,736 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,736 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,736 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:30:00,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:30:00,736 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,736 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:30:00,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,738 - INFO - number of orbitals:  118
+2024-12-09 10:30:00,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,738 - INFO - moving on ...
+2024-12-09 10:30:00,738 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:30:00,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,739 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,740 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,740 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:30:00,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:30:00,740 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:30:00,756 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,757 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,757 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:30:00,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:30:00,757 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,757 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:30:00,757 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:30:00,757 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:30:00,757 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,758 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:30:00,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,759 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,759 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,759 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:30:00,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:30:00,759 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:30:00,776 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,776 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,777 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:30:00,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:30:00,777 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,777 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:30:00,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,778 - INFO - number of orbitals:  114
+2024-12-09 10:30:00,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,778 - INFO - moving on ...
+2024-12-09 10:30:00,779 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:30:00,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,780 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,780 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,780 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:30:00,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:30:00,780 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:30:00,797 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,798 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,798 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:30:00,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:30:00,798 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,798 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:30:00,798 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:30:00,798 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:30:00,798 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,798 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:30:00,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,800 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,800 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,800 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:30:00,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:30:00,800 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:30:00,817 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,818 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,818 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:30:00,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:30:00,818 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,818 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:30:00,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,820 - INFO - number of orbitals:  115
+2024-12-09 10:30:00,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:00,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:00,820 - INFO - moving on ...
+2024-12-09 10:30:00,820 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:30:00,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,822 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,822 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:30:00,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:30:00,822 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:30:00,839 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,839 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,839 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:30:00,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:30:00,839 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,839 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:30:00,839 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:30:00,839 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:30:00,839 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,840 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:30:00,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,841 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,841 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,841 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:30:00,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:30:00,841 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:30:00,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,858 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,858 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:30:00,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:30:00,858 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,858 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:30:00,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,860 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,860 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,860 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:30:00,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:30:00,860 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:30:00,876 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,877 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,877 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:30:00,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:30:00,877 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,877 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:30:00,877 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:30:00,877 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:30:00,877 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,877 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:30:00,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,879 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,879 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,879 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:30:00,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:30:00,879 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:30:00,896 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,896 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,896 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:30:00,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:30:00,896 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,896 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:30:00,897 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:30:00,897 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:30:00,897 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,897 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:30:00,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,898 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,898 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,898 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:30:00,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:30:00,898 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:30:00,915 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,915 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,916 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:30:00,916 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:30:00,916 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:30:00,916 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,916 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:30:00,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,917 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,918 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,918 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:30:00,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:30:00,918 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:30:00,934 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,934 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,935 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:30:00,935 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:30:00,935 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,935 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:30:00,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,936 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,936 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,936 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
+2024-12-09 10:30:00,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
+2024-12-09 10:30:00,936 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
+2024-12-09 10:30:00,953 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,953 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,953 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
+2024-12-09 10:30:00,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
+2024-12-09 10:30:00,954 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,954 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:30:00,954 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:30:00,954 - INFO - problem_instance short name: V_1
+2024-12-09 10:30:00,954 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,954 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:30:00,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,955 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,955 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,955 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:30:00,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:30:00,956 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:30:00,971 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,972 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,972 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:30:00,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:30:00,972 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,972 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:30:00,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,974 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,974 - INFO - number of supporting files: 2
+2024-12-09 10:30:00,974 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
+2024-12-09 10:30:00,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
+2024-12-09 10:30:00,974 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
+2024-12-09 10:30:00,990 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:00,990 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
+2024-12-09 10:30:00,990 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
+2024-12-09 10:30:00,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
+2024-12-09 10:30:00,990 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:00,990 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:30:00,991 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:30:00,991 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:30:00,991 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:00,991 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:30:00,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:00,992 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:00,992 - INFO - number of supporting files: 1
+2024-12-09 10:30:00,992 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:30:00,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:30:00,992 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:30:01,008 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,009 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,009 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:30:01,009 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:30:01,009 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:30:01,009 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,009 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:30:01,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,011 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,011 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,011 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:30:01,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:30:01,011 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:30:01,028 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,029 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,029 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:30:01,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:30:01,029 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,029 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:30:01,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,031 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,031 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,031 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
+2024-12-09 10:30:01,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
+2024-12-09 10:30:01,031 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
+2024-12-09 10:30:01,047 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,048 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,048 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
+2024-12-09 10:30:01,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
+2024-12-09 10:30:01,048 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,048 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:30:01,048 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:30:01,048 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:30:01,048 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,048 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:30:01,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,050 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,050 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,050 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:30:01,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:30:01,050 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:30:01,066 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,066 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,066 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:30:01,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:30:01,066 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,066 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:30:01,067 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:30:01,067 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:30:01,067 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,067 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:30:01,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,068 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,068 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:30:01,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:30:01,068 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:30:01,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,084 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,084 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:30:01,084 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:30:01,084 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:30:01,084 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,084 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:30:01,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,086 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,086 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,086 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:30:01,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:30:01,086 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:30:01,102 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,102 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,102 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:30:01,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:30:01,103 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,103 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:30:01,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,104 - INFO - number of orbitals:  116
+2024-12-09 10:30:01,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,104 - INFO - moving on ...
+2024-12-09 10:30:01,104 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:30:01,104 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:30:01,104 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:30:01,105 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,105 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:30:01,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,106 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,106 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,106 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:30:01,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:30:01,106 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:30:01,122 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,122 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,122 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:30:01,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:30:01,122 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,122 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:30:01,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,124 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,124 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,124 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
+2024-12-09 10:30:01,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
+2024-12-09 10:30:01,124 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
+2024-12-09 10:30:01,141 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,142 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,142 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
+2024-12-09 10:30:01,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
+2024-12-09 10:30:01,142 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,142 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:30:01,142 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:30:01,142 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:30:01,142 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,143 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:30:01,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,144 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,144 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,144 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:30:01,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:30:01,144 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:30:01,161 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,162 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,162 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:30:01,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:30:01,162 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,162 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:30:01,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,164 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,164 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,164 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
+2024-12-09 10:30:01,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
+2024-12-09 10:30:01,164 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
+2024-12-09 10:30:01,181 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,181 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,181 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
+2024-12-09 10:30:01,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
+2024-12-09 10:30:01,181 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,181 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:30:01,182 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:30:01,182 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:30:01,182 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,182 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:30:01,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,183 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,183 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,183 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:30:01,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:30:01,184 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:30:01,200 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,201 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,201 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:30:01,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:30:01,201 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,201 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:30:01,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,203 - INFO - number of orbitals:  110
+2024-12-09 10:30:01,203 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,203 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,203 - INFO - moving on ...
+2024-12-09 10:30:01,203 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:30:01,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,204 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,205 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,205 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:30:01,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:30:01,205 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:30:01,221 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,221 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,221 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:30:01,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:30:01,221 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,222 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:30:01,222 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:30:01,222 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:30:01,222 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,222 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:30:01,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,223 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,223 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,223 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:30:01,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:30:01,223 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:30:01,240 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,240 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,240 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:30:01,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:30:01,240 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,240 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:30:01,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,242 - INFO - number of orbitals:  135
+2024-12-09 10:30:01,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,242 - INFO - moving on ...
+2024-12-09 10:30:01,242 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:30:01,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,243 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,243 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,243 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
+2024-12-09 10:30:01,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
+2024-12-09 10:30:01,243 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
+2024-12-09 10:30:01,260 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,260 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,260 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
+2024-12-09 10:30:01,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
+2024-12-09 10:30:01,260 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,261 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:30:01,261 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:30:01,261 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:30:01,261 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,261 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:30:01,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,262 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,262 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,263 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:30:01,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:30:01,263 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:30:01,279 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,279 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,280 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:30:01,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:30:01,280 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,280 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:30:01,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,281 - INFO - number of orbitals:  119
+2024-12-09 10:30:01,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,281 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,281 - INFO - moving on ...
+2024-12-09 10:30:01,281 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:30:01,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,283 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,283 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,283 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:30:01,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:30:01,283 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:30:01,299 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,300 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,300 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:30:01,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:30:01,300 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,300 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:30:01,300 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:30:01,300 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:30:01,300 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,300 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:30:01,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,302 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,302 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,302 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:30:01,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:30:01,302 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:30:01,318 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,319 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,319 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:30:01,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:30:01,319 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,319 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:30:01,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,321 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,321 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,321 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:30:01,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:30:01,321 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:30:01,337 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,338 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,338 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:30:01,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:30:01,338 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,338 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:30:01,338 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:30:01,338 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:30:01,338 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,338 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:30:01,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,340 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,340 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,340 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:30:01,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:30:01,340 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:30:01,357 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,357 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,357 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:30:01,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:30:01,357 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,357 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:30:01,358 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:30:01,358 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:30:01,358 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,358 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:30:01,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,359 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,359 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,359 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:30:01,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:30:01,360 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:30:01,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,381 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,382 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:30:01,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:30:01,382 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,382 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:30:01,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,383 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,384 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,384 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
+2024-12-09 10:30:01,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
+2024-12-09 10:30:01,384 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
+2024-12-09 10:30:01,404 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,405 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,405 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
+2024-12-09 10:30:01,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
+2024-12-09 10:30:01,405 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,405 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:30:01,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,407 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,407 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,407 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:30:01,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:30:01,407 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:30:01,427 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,428 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,428 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:30:01,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:30:01,428 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,428 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:30:01,428 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:30:01,428 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:30:01,429 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,429 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:30:01,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,431 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,431 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:30:01,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:30:01,431 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:30:01,451 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,452 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,452 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:30:01,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:30:01,452 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,452 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:30:01,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,454 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,454 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,454 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
+2024-12-09 10:30:01,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
+2024-12-09 10:30:01,454 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
+2024-12-09 10:30:01,474 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,475 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,475 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
+2024-12-09 10:30:01,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
+2024-12-09 10:30:01,475 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,475 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:30:01,475 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:30:01,475 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:30:01,475 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,475 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:30:01,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,477 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,477 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,477 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:30:01,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:30:01,477 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:30:01,495 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,495 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,495 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:30:01,496 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:30:01,496 - INFO - problem_instance short name: O_0
+2024-12-09 10:30:01,496 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,496 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:30:01,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,497 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,497 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,497 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:30:01,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:30:01,497 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:30:01,513 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,513 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,514 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:30:01,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:30:01,514 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,514 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:30:01,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,516 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,516 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,516 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:30:01,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:30:01,516 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:30:01,532 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,533 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,533 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:30:01,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:30:01,533 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,533 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:30:01,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,534 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,535 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:30:01,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:30:01,535 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:30:01,550 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,551 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,551 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:30:01,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:30:01,551 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,551 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:30:01,551 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:30:01,551 - INFO - problem_instance short name: ozone
+2024-12-09 10:30:01,551 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,551 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:30:01,551 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,552 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,552 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,554 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,554 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,554 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:30:01,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:30:01,554 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:30:01,570 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,571 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,571 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:30:01,571 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,571 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,571 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,573 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,573 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:30:01,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:30:01,573 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:30:01,590 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,590 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,591 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:30:01,591 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,591 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,591 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,593 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,593 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,593 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
+2024-12-09 10:30:01,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
+2024-12-09 10:30:01,593 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
+2024-12-09 10:30:01,610 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,610 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,610 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:30:01,610 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,611 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,611 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,613 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,613 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,613 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:30:01,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:30:01,613 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:30:01,631 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,631 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,631 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:30:01,632 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,632 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,632 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,634 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,635 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,635 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:30:01,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:30:01,635 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:30:01,654 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,654 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,654 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:30:01,654 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,655 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,655 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,657 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,657 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,657 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
+2024-12-09 10:30:01,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
+2024-12-09 10:30:01,657 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
+2024-12-09 10:30:01,673 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,674 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,674 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:30:01,674 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:30:01,674 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:30:01,674 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,674 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:30:01,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,676 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,676 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,676 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:30:01,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:30:01,676 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:30:01,692 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,693 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,693 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:30:01,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:30:01,693 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,693 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:30:01,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,694 - INFO - number of orbitals:  115
+2024-12-09 10:30:01,695 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
+2024-12-09 10:30:01,695 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:01,695 - INFO - moving on ...
+2024-12-09 10:30:01,695 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:30:01,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,696 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,696 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,696 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:30:01,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:30:01,696 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:30:01,713 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,713 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,713 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:30:01,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:30:01,713 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,713 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:30:01,714 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:30:01,714 - INFO - problem_instance short name: VO_0
+2024-12-09 10:30:01,714 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,714 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:30:01,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,715 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,715 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,715 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:30:01,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:30:01,716 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:30:01,733 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,733 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,733 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:30:01,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:30:01,733 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,733 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:30:01,734 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:30:01,734 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:30:01,734 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,734 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:30:01,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,735 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,735 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,735 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:30:01,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:30:01,735 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:30:01,752 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,754 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,754 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:30:01,754 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:30:01,754 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:30:01,754 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,754 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:30:01,755 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,757 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,757 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,757 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:30:01,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:30:01,757 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:30:01,773 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,774 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,774 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:30:01,774 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,774 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,774 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,776 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,776 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,776 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:30:01,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:30:01,776 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:30:01,793 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,793 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,793 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:30:01,793 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,794 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,794 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,796 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,796 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,796 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:30:01,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:30:01,796 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:30:01,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,813 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,814 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:30:01,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,816 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,816 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:30:01,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:30:01,816 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:30:01,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,833 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,833 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:30:01,833 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,833 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,833 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,835 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,835 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,835 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:30:01,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:30:01,835 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:30:01,852 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,853 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,853 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:30:01,853 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,853 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,853 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,855 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,855 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:30:01,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:30:01,855 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:30:01,872 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,872 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,872 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:30:01,873 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:30:01,873 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:30:01,873 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,873 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:30:01,873 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,873 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,873 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,875 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,875 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,875 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:30:01,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:30:01,875 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:30:01,891 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,892 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,892 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:30:01,892 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,892 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,892 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,894 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,894 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,894 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:30:01,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:30:01,894 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:30:01,911 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,912 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,912 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:30:01,912 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,912 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,912 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,914 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,914 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,914 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:30:01,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:30:01,914 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:30:01,930 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,930 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,930 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:30:01,931 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:30:01,931 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:30:01,931 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,931 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:30:01,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,932 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,932 - INFO - number of supporting files: 2
+2024-12-09 10:30:01,932 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:30:01,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:30:01,932 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:30:01,949 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,949 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,949 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:30:01,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:30:01,950 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:01,950 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:30:01,950 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:30:01,950 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:30:01,950 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:30:01,950 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:30:01,950 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,951 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,951 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,953 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,953 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:30:01,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:30:01,953 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:30:01,969 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,970 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,970 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:30:01,970 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,970 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,970 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,972 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,972 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,972 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:30:01,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:30:01,973 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:30:01,989 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:01,990 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:30:01,990 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:30:01,990 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:01,990 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:01,990 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:01,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:01,992 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:01,992 - INFO - number of supporting files: 1
+2024-12-09 10:30:01,992 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:30:01,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:30:01,992 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:30:02,009 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,009 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,009 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:30:02,009 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,010 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,010 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,012 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,012 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,012 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:30:02,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:30:02,012 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:30:02,030 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,030 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,030 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:30:02,030 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,030 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,030 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,032 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,033 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,033 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:30:02,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:30:02,033 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:30:02,050 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,050 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,050 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:30:02,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,051 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,051 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,053 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,053 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:30:02,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:30:02,053 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:30:02,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,069 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,069 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:30:02,070 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,070 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,070 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,072 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,072 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:30:02,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:30:02,072 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:30:02,088 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,089 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,089 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:30:02,089 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,089 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,089 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,091 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,091 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:30:02,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:30:02,091 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:30:02,108 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,108 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,108 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:30:02,108 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,109 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,109 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,111 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,111 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,111 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:30:02,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:30:02,111 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:30:02,128 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,128 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,128 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:30:02,128 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,128 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,128 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,130 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,131 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,131 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:30:02,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:30:02,131 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:30:02,147 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,148 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,148 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:30:02,148 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,148 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,148 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,150 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,150 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,150 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:30:02,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:30:02,150 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:30:02,167 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,168 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,168 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:30:02,168 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,168 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,168 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,170 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,170 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,170 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:30:02,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:30:02,170 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:30:02,187 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,187 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,187 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:30:02,188 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,188 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,188 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,190 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,190 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:30:02,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:30:02,190 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:30:02,207 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,207 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,207 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:30:02,207 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,207 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,207 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,209 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,209 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,209 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:30:02,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:30:02,210 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:30:02,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,226 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,226 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:30:02,226 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,226 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,226 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,228 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,228 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,228 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:30:02,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:30:02,228 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:30:02,245 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,245 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,245 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:30:02,245 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,246 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,246 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,248 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,248 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,248 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:30:02,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:30:02,248 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:30:02,265 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,265 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,265 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:30:02,266 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:30:02,266 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:30:02,266 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,266 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:30:02,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,267 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,267 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,267 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:30:02,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:30:02,267 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:30:02,284 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,285 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,285 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:30:02,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:30:02,285 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,285 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:30:02,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,286 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,286 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,286 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
+2024-12-09 10:30:02,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
+2024-12-09 10:30:02,287 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
+2024-12-09 10:30:02,303 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,303 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,304 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
+2024-12-09 10:30:02,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
+2024-12-09 10:30:02,304 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,304 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:30:02,304 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:30:02,304 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:30:02,304 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,304 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:30:02,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,306 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,306 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,306 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:30:02,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:30:02,306 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:30:02,323 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,323 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,323 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:30:02,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:30:02,323 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,323 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:30:02,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,325 - INFO - number of orbitals:  118
+2024-12-09 10:30:02,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:02,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:02,325 - INFO - moving on ...
+2024-12-09 10:30:02,325 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:30:02,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,326 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,326 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,326 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:30:02,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:30:02,327 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:30:02,343 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,343 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,344 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:30:02,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:30:02,344 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,344 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:30:02,344 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:30:02,344 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:30:02,344 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,344 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:30:02,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,345 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,346 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,346 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:30:02,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:30:02,346 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:30:02,362 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,363 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,363 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:30:02,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:30:02,363 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,363 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:30:02,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,364 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,364 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,364 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:30:02,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:30:02,365 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:30:02,381 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,381 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,381 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:30:02,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:30:02,382 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,382 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:30:02,382 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:30:02,382 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:30:02,382 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,382 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:30:02,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,383 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,383 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,384 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:30:02,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:30:02,384 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,400 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,400 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,401 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:30:02,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:30:02,401 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,401 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:30:02,401 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:30:02,401 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:30:02,401 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,401 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:30:02,401 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,402 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,402 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,403 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,404 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,404 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:30:02,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:30:02,404 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:30:02,420 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,421 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,421 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:30:02,421 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,421 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,421 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,423 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,423 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,423 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:30:02,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:30:02,423 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:30:02,439 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,440 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,440 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:30:02,440 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,440 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,440 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,442 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,442 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,442 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:30:02,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:30:02,442 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,458 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,458 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,459 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:30:02,459 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,459 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,459 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,461 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,461 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,461 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:30:02,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:30:02,461 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,476 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,477 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,477 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:30:02,477 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,477 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,477 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,479 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,479 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,479 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:30:02,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:30:02,479 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:30:02,495 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,496 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,496 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:30:02,496 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,496 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,496 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,498 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,498 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,498 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:30:02,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:30:02,499 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:30:02,514 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,515 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,515 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:30:02,515 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,515 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,515 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,517 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,517 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:30:02,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:30:02,517 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:30:02,533 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,533 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,533 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:30:02,533 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,533 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,534 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,535 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,535 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,535 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:30:02,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:30:02,536 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:30:02,551 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,552 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,552 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:30:02,552 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,552 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,552 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,554 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,554 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,554 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:30:02,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:30:02,554 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:30:02,570 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,571 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,571 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:30:02,571 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,571 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,571 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,573 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,573 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,573 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:30:02,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:30:02,573 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:30:02,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,590 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,590 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:30:02,590 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,590 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,590 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,592 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,592 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,592 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:30:02,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:30:02,592 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,608 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,609 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,609 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:30:02,609 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,609 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,609 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,611 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,611 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,611 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:30:02,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:30:02,611 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:30:02,628 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,628 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,628 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:30:02,629 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:30:02,629 - INFO - problem_instance short name: benzene
+2024-12-09 10:30:02,629 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,629 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:30:02,629 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,629 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,629 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,631 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,631 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,631 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:30:02,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:30:02,631 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:30:02,647 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,648 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,648 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:30:02,648 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,648 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,650 - INFO - number of orbitals:  108
+2024-12-09 10:30:02,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:02,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:02,650 - INFO - moving on ...
+2024-12-09 10:30:02,650 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:30:02,650 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:30:02,650 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:30:02,651 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,651 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:30:02,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,652 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,652 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,652 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:30:02,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:30:02,652 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:30:02,669 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,669 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,669 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:30:02,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:30:02,670 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,670 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:30:02,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,671 - INFO - number of orbitals:  135
+2024-12-09 10:30:02,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:02,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:02,671 - INFO - moving on ...
+2024-12-09 10:30:02,671 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:30:02,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,673 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,673 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,673 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:30:02,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:30:02,673 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:30:02,689 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,690 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,690 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:30:02,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:30:02,690 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,690 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:30:02,690 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:30:02,690 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:30:02,690 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,690 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:30:02,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,692 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,692 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,692 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:30:02,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:30:02,692 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:30:02,708 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,709 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,709 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:30:02,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:30:02,709 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,709 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:30:02,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,711 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,711 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,711 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:30:02,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:30:02,711 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:30:02,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,728 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,728 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:30:02,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:30:02,728 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,728 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:30:02,728 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:30:02,728 - INFO - problem_instance short name: V_0
+2024-12-09 10:30:02,728 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,728 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:30:02,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,730 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,730 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,730 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:30:02,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:30:02,730 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:30:02,746 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,747 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,747 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:30:02,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:30:02,747 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,747 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:30:02,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,749 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,749 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,749 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:30:02,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:30:02,749 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:30:02,765 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,766 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,766 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:30:02,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:30:02,766 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,766 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:30:02,766 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:30:02,766 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:30:02,766 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,766 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:30:02,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,768 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,768 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,768 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:30:02,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:30:02,768 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:30:02,785 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,785 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,785 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:30:02,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:30:02,785 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,785 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:30:02,785 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:30:02,785 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:30:02,786 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,786 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:30:02,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,787 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,787 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,787 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:30:02,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:30:02,787 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:30:02,804 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,804 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,804 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:30:02,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:30:02,804 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,804 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:30:02,804 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:30:02,804 - INFO - problem_instance short name: na2_0
+2024-12-09 10:30:02,805 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,805 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:30:02,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,806 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,806 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,806 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:30:02,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:30:02,806 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:30:02,823 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,823 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,823 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:30:02,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:30:02,824 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,824 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:30:02,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,825 - INFO - number of orbitals:  118
+2024-12-09 10:30:02,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:02,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:02,825 - INFO - moving on ...
+2024-12-09 10:30:02,825 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:30:02,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,827 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,827 - INFO - number of supporting files: 2
+2024-12-09 10:30:02,827 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:30:02,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:30:02,827 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:30:02,843 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,844 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,844 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:30:02,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:30:02,844 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:02,844 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:30:02,844 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:30:02,844 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:30:02,844 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:30:02,844 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:30:02,844 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,844 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,846 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,846 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,847 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:30:02,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:30:02,847 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,863 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,863 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,863 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:30:02,864 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,864 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,864 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,866 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,866 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,866 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:30:02,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:30:02,866 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:30:02,882 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,883 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,883 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:30:02,883 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,883 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,883 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,885 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,885 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,885 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:30:02,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:30:02,885 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:30:02,902 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,902 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,902 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:30:02,902 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,902 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,902 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,904 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,904 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,904 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:30:02,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:30:02,905 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:30:02,921 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,921 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,922 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:30:02,922 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,922 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,922 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,924 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,924 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,924 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:30:02,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:30:02,924 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:30:02,940 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,941 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,941 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:30:02,941 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,941 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,941 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,943 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,943 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,943 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:30:02,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:30:02,943 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:30:02,960 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,960 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,960 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:30:02,960 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,961 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,961 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,963 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,963 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,963 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:30:02,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:30:02,963 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:30:02,979 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,980 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,980 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:30:02,980 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:02,980 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:02,980 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:02,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:02,982 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:02,982 - INFO - number of supporting files: 1
+2024-12-09 10:30:02,982 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:30:02,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:30:02,982 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:30:02,999 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:02,999 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:02,999 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:30:02,999 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:30:02,999 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:30:02,999 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,000 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:30:03,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,001 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,001 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,001 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:30:03,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:30:03,001 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:30:03,018 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,018 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,018 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:30:03,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:30:03,018 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,018 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:30:03,019 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:30:03,019 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:30:03,019 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,019 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:30:03,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,020 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,020 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,020 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:30:03,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:30:03,020 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:30:03,037 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,037 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,037 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:30:03,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:30:03,037 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,037 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:30:03,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,039 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,039 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,039 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:30:03,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:30:03,039 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:30:03,056 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,056 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,056 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:30:03,056 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:30:03,056 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,057 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:30:03,057 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:30:03,057 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:30:03,057 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,057 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:30:03,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,058 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,058 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,059 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:30:03,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:30:03,059 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:30:03,075 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,076 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,076 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:30:03,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:30:03,076 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,076 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:30:03,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,077 - INFO - number of orbitals:  119
+2024-12-09 10:30:03,077 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,077 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,078 - INFO - moving on ...
+2024-12-09 10:30:03,078 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:30:03,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,079 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,079 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,079 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:30:03,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:30:03,079 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:30:03,095 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,096 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,096 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:30:03,096 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:30:03,096 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,096 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:30:03,096 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:30:03,096 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:30:03,096 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,096 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:30:03,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,098 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,098 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,098 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:30:03,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:30:03,098 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:30:03,115 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,115 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,115 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:30:03,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:30:03,115 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,115 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:30:03,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,117 - INFO - number of orbitals:  135
+2024-12-09 10:30:03,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,117 - INFO - moving on ...
+2024-12-09 10:30:03,117 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:30:03,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,118 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,118 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,118 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:30:03,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:30:03,119 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:30:03,135 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,135 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,136 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:30:03,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:30:03,136 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,136 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:30:03,136 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:30:03,136 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:30:03,136 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,136 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:30:03,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,138 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,138 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,138 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:30:03,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:30:03,138 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:30:03,154 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,155 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,155 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:30:03,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:30:03,155 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,155 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:30:03,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,157 - INFO - number of orbitals:  118
+2024-12-09 10:30:03,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,157 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,157 - INFO - moving on ...
+2024-12-09 10:30:03,157 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:30:03,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,158 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,158 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,158 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:30:03,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:30:03,158 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:30:03,175 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,175 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,175 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:30:03,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:30:03,176 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,176 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:30:03,176 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:30:03,176 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:30:03,176 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,176 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:30:03,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,178 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,178 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,178 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:30:03,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:30:03,178 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:30:03,195 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,195 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,195 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:30:03,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:30:03,196 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,196 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:30:03,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,197 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,197 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,197 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:30:03,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:30:03,197 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:30:03,214 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,214 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,214 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:30:03,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:30:03,215 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,215 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:30:03,215 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:30:03,215 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:30:03,215 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,215 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:30:03,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,216 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,216 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,216 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:30:03,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:30:03,217 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:30:03,233 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,233 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,233 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:30:03,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:30:03,234 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,234 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:30:03,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,235 - INFO - number of orbitals:  110
+2024-12-09 10:30:03,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,235 - INFO - moving on ...
+2024-12-09 10:30:03,235 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 10:30:03,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,237 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,237 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,237 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 10:30:03,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 10:30:03,237 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 10:30:03,253 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,253 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,254 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 10:30:03,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 10:30:03,254 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,254 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 10:30:03,254 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 10:30:03,254 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 10:30:03,254 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,254 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 10:30:03,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,255 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,256 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,256 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 10:30:03,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 10:30:03,256 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 10:30:03,272 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,272 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,272 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 10:30:03,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 10:30:03,272 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,272 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 10:30:03,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,274 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,274 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,274 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 10:30:03,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 10:30:03,274 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 10:30:03,290 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,291 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,291 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 10:30:03,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 10:30:03,291 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,291 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 10:30:03,291 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 10:30:03,291 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 10:30:03,291 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,291 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 10:30:03,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,293 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,293 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 10:30:03,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 10:30:03,293 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 10:30:03,309 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,309 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,310 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 10:30:03,310 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 10:30:03,310 - INFO - problem_instance short name: Mn_0
+2024-12-09 10:30:03,310 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,310 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 10:30:03,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,311 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,311 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 10:30:03,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 10:30:03,312 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 10:30:03,328 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,328 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,328 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 10:30:03,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 10:30:03,328 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,328 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 10:30:03,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,330 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,330 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,330 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 10:30:03,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 10:30:03,330 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 10:30:03,346 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,346 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,347 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 10:30:03,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 10:30:03,347 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,347 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 10:30:03,347 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 10:30:03,347 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 10:30:03,347 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,347 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 10:30:03,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,348 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,348 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,349 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 10:30:03,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 10:30:03,349 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 10:30:03,365 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,365 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,366 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 10:30:03,366 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 10:30:03,366 - INFO - problem_instance short name: mo_n2
+2024-12-09 10:30:03,366 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,366 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 10:30:03,366 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,366 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,366 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,368 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,368 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,368 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 10:30:03,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 10:30:03,368 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 10:30:03,385 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,385 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,386 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 10:30:03,386 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,386 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,386 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,388 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,388 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,388 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 10:30:03,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 10:30:03,388 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 10:30:03,405 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,405 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,405 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 10:30:03,405 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,405 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,405 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,408 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,408 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,408 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 10:30:03,408 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 10:30:03,408 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 10:30:03,424 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,425 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,425 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 10:30:03,425 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,425 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,425 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,427 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,427 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,427 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 10:30:03,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 10:30:03,427 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 10:30:03,444 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,445 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,445 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 10:30:03,445 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 10:30:03,445 - INFO - problem_instance short name: li_h_0
+2024-12-09 10:30:03,445 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,445 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 10:30:03,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,447 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,447 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,447 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 10:30:03,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 10:30:03,447 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 10:30:03,463 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,464 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,464 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 10:30:03,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 10:30:03,464 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,464 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 10:30:03,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,466 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,466 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,466 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 10:30:03,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 10:30:03,466 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 10:30:03,483 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,483 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,483 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 10:30:03,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 10:30:03,483 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,483 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 10:30:03,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,485 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,485 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 10:30:03,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 10:30:03,485 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 10:30:03,502 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,502 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,502 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 10:30:03,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 10:30:03,502 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,502 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 10:30:03,502 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 10:30:03,503 - INFO - problem_instance short name: li2_0
+2024-12-09 10:30:03,503 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,503 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 10:30:03,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,504 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,504 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,504 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 10:30:03,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 10:30:03,504 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 10:30:03,521 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,521 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,522 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 10:30:03,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 10:30:03,522 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,522 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 10:30:03,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,523 - INFO - number of orbitals:  110
+2024-12-09 10:30:03,523 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,523 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,523 - INFO - moving on ...
+2024-12-09 10:30:03,523 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 10:30:03,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,525 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,525 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,525 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 10:30:03,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 10:30:03,525 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 10:30:03,542 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,542 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,542 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 10:30:03,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 10:30:03,542 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,542 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 10:30:03,542 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 10:30:03,542 - INFO - problem_instance short name: h_f_0
+2024-12-09 10:30:03,542 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,542 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 10:30:03,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,544 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,544 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,544 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 10:30:03,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 10:30:03,544 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 10:30:03,561 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,561 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,561 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 10:30:03,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 10:30:03,562 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,562 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 10:30:03,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,563 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,563 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,563 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 10:30:03,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 10:30:03,563 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 10:30:03,580 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,580 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,580 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 10:30:03,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 10:30:03,580 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,580 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 10:30:03,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,582 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,582 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 10:30:03,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 10:30:03,582 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 10:30:03,599 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,599 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,599 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 10:30:03,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 10:30:03,599 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,599 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 10:30:03,600 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 10:30:03,600 - INFO - problem_instance short name: Fe_0
+2024-12-09 10:30:03,600 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,600 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 10:30:03,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,601 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,601 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,601 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 10:30:03,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 10:30:03,601 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 10:30:03,618 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,618 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,618 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 10:30:03,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 10:30:03,618 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,618 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 10:30:03,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,620 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,620 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,620 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 10:30:03,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 10:30:03,620 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 10:30:03,636 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,637 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,637 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 10:30:03,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 10:30:03,637 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,637 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 10:30:03,637 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 10:30:03,637 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 10:30:03,637 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,637 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 10:30:03,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,639 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,639 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,639 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 10:30:03,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 10:30:03,639 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 10:30:03,655 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,656 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,656 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 10:30:03,656 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 10:30:03,656 - INFO - problem_instance short name: ru_macho
+2024-12-09 10:30:03,656 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,656 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 10:30:03,656 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,657 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,657 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,658 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,658 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,659 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 10:30:03,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 10:30:03,659 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 10:30:03,675 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,675 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,675 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 10:30:03,675 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,676 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,676 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,677 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,678 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,678 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 10:30:03,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 10:30:03,678 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 10:30:03,695 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,695 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,695 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 10:30:03,695 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,695 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,695 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,697 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,698 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,698 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 10:30:03,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 10:30:03,698 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 10:30:03,714 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,715 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,715 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 10:30:03,715 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,715 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,715 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,717 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,717 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,717 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 10:30:03,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 10:30:03,717 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 10:30:03,734 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,734 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,735 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 10:30:03,735 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,735 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,735 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,737 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,737 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,737 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 10:30:03,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 10:30:03,737 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 10:30:03,754 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,755 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,755 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 10:30:03,755 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,755 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,755 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,757 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,757 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,757 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 10:30:03,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 10:30:03,757 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 10:30:03,774 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,775 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,775 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 10:30:03,775 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,775 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,775 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,777 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,777 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,777 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 10:30:03,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 10:30:03,777 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 10:30:03,794 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,794 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,794 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 10:30:03,794 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,794 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,795 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,797 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,797 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,797 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 10:30:03,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 10:30:03,797 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 10:30:03,813 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,814 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,814 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 10:30:03,814 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:03,814 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:03,814 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:03,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,816 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,816 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,816 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 10:30:03,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 10:30:03,817 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 10:30:03,833 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,834 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,834 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 10:30:03,834 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 10:30:03,834 - INFO - problem_instance short name: Cu_1
+2024-12-09 10:30:03,834 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,834 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 10:30:03,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,836 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,836 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 10:30:03,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 10:30:03,836 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 10:30:03,853 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,853 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,853 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 10:30:03,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 10:30:03,853 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,853 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 10:30:03,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,855 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,855 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,855 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 10:30:03,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 10:30:03,855 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 10:30:03,871 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,872 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,872 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 10:30:03,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 10:30:03,872 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,872 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 10:30:03,872 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 10:30:03,872 - INFO - problem_instance short name: n_h3_0
+2024-12-09 10:30:03,872 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,872 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 10:30:03,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,874 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,874 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,874 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 10:30:03,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 10:30:03,874 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 10:30:03,890 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,890 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,890 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 10:30:03,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 10:30:03,891 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,891 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 10:30:03,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,892 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,892 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,892 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 10:30:03,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 10:30:03,892 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 10:30:03,909 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,909 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,909 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 10:30:03,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 10:30:03,909 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,909 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 10:30:03,910 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 10:30:03,910 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 10:30:03,910 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,910 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 10:30:03,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,911 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,911 - INFO - number of supporting files: 1
+2024-12-09 10:30:03,911 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 10:30:03,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 10:30:03,912 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 10:30:03,928 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,928 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,929 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 10:30:03,929 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 10:30:03,929 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 10:30:03,929 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,929 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 10:30:03,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,930 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,930 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,930 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 10:30:03,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 10:30:03,931 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 10:30:03,947 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,947 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,947 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 10:30:03,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 10:30:03,947 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,947 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 10:30:03,947 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 10:30:03,948 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 10:30:03,948 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,948 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 10:30:03,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,949 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,949 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,949 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 10:30:03,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 10:30:03,949 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 10:30:03,967 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,967 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,967 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 10:30:03,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 10:30:03,967 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,967 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 10:30:03,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,969 - INFO - number of orbitals:  116
+2024-12-09 10:30:03,969 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:03,969 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:03,969 - INFO - moving on ...
+2024-12-09 10:30:03,969 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 10:30:03,969 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 10:30:03,969 - INFO - problem_instance short name: O_1
+2024-12-09 10:30:03,970 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:03,970 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 10:30:03,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,971 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,971 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,971 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 10:30:03,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 10:30:03,971 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 10:30:03,988 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:03,988 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 10:30:03,988 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 10:30:03,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 10:30:03,988 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:03,988 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 10:30:03,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:03,990 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:03,990 - INFO - number of supporting files: 2
+2024-12-09 10:30:03,990 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 10:30:03,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 10:30:03,990 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 10:30:04,006 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,007 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,007 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 10:30:04,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 10:30:04,007 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,007 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 10:30:04,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,009 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,009 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,009 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 10:30:04,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 10:30:04,009 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 10:30:04,025 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,026 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,026 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 10:30:04,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 10:30:04,026 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,026 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 10:30:04,026 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 10:30:04,026 - INFO - problem_instance short name: cr_dimer
+2024-12-09 10:30:04,026 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,026 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 10:30:04,026 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,026 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,026 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,028 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,028 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,028 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 10:30:04,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 10:30:04,029 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 10:30:04,044 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,045 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,045 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 10:30:04,045 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,045 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,045 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,047 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,047 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,047 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 10:30:04,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 10:30:04,047 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 10:30:04,063 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,064 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,064 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 10:30:04,064 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,064 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,064 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,066 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,066 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,066 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 10:30:04,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 10:30:04,066 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 10:30:04,083 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,083 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,083 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 10:30:04,083 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,083 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,083 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,085 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,085 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 10:30:04,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 10:30:04,085 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 10:30:04,102 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,102 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,102 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 10:30:04,102 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,102 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,102 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,104 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,104 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 10:30:04,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 10:30:04,105 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 10:30:04,121 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,121 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,121 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 10:30:04,121 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,122 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,122 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,124 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,124 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 10:30:04,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 10:30:04,124 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 10:30:04,140 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,140 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,141 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 10:30:04,141 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,141 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,141 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,143 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,143 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,143 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 10:30:04,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 10:30:04,143 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 10:30:04,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,160 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,160 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 10:30:04,160 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,160 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,160 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,162 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,162 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,162 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 10:30:04,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 10:30:04,162 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 10:30:04,178 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,179 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,179 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 10:30:04,179 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,179 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,179 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,181 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,181 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 10:30:04,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 10:30:04,181 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 10:30:04,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,198 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,198 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 10:30:04,198 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,199 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,199 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,201 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,201 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,201 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 10:30:04,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 10:30:04,201 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 10:30:04,218 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,218 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,218 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 10:30:04,218 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,218 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,218 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,220 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,221 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,221 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 10:30:04,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 10:30:04,221 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 10:30:04,237 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,238 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,238 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 10:30:04,238 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,238 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,238 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,240 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,240 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,240 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 10:30:04,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 10:30:04,240 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 10:30:04,257 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,257 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,258 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 10:30:04,258 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 10:30:04,258 - INFO - problem_instance short name: be_0
+2024-12-09 10:30:04,258 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,258 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 10:30:04,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,259 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,259 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,260 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 10:30:04,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 10:30:04,260 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 10:30:04,276 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,277 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,277 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 10:30:04,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 10:30:04,277 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,277 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 10:30:04,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,278 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,278 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,278 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 10:30:04,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 10:30:04,279 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 10:30:04,295 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,295 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,296 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 10:30:04,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 10:30:04,296 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,296 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 10:30:04,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,297 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,297 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,297 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 10:30:04,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 10:30:04,297 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 10:30:04,314 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,314 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,314 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 10:30:04,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 10:30:04,314 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,314 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 10:30:04,315 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 10:30:04,315 - INFO - problem_instance short name: f2_0
+2024-12-09 10:30:04,315 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,315 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 10:30:04,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,316 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,316 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,316 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 10:30:04,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 10:30:04,317 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 10:30:04,333 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,333 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,333 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 10:30:04,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 10:30:04,334 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,334 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 10:30:04,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,335 - INFO - number of orbitals:  110
+2024-12-09 10:30:04,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,335 - INFO - moving on ...
+2024-12-09 10:30:04,335 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 10:30:04,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,337 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,337 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,337 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 10:30:04,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 10:30:04,337 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 10:30:04,353 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,354 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,354 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 10:30:04,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 10:30:04,354 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,354 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 10:30:04,354 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 10:30:04,354 - INFO - problem_instance short name: n2_0
+2024-12-09 10:30:04,354 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,354 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 10:30:04,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,356 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,356 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,356 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 10:30:04,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 10:30:04,356 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 10:30:04,372 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,373 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,373 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 10:30:04,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 10:30:04,373 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,373 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 10:30:04,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,375 - INFO - number of orbitals:  110
+2024-12-09 10:30:04,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,375 - INFO - moving on ...
+2024-12-09 10:30:04,375 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-09 10:30:04,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,376 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,376 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,376 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-09 10:30:04,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-09 10:30:04,376 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-09 10:30:04,393 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,393 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,393 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-09 10:30:04,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-09 10:30:04,393 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,393 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-09 10:30:04,394 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-09 10:30:04,394 - INFO - problem_instance short name: fe_red
+2024-12-09 10:30:04,394 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,394 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-09 10:30:04,394 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,394 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,394 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,396 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,396 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,396 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-09 10:30:04,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-09 10:30:04,396 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-09 10:30:04,413 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,413 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,413 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-09 10:30:04,414 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,414 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,414 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,416 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,416 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,416 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-09 10:30:04,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-09 10:30:04,416 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-09 10:30:04,433 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,433 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,433 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-09 10:30:04,433 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,433 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,433 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,435 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,435 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,435 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-09 10:30:04,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-09 10:30:04,436 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-09 10:30:04,452 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,453 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,453 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-09 10:30:04,453 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,453 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,453 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,455 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,455 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,455 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-09 10:30:04,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-09 10:30:04,455 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-09 10:30:04,472 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,472 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,472 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-09 10:30:04,472 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,472 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,472 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,474 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,474 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,474 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-09 10:30:04,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-09 10:30:04,474 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-09 10:30:04,491 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,491 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,491 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-09 10:30:04,491 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,491 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,491 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,493 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,493 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,493 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-09 10:30:04,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-09 10:30:04,494 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-09 10:30:04,510 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,510 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,511 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-09 10:30:04,511 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,511 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,511 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,513 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,513 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,513 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-09 10:30:04,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-09 10:30:04,513 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-09 10:30:04,529 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,530 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,530 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-09 10:30:04,530 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,530 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,530 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,532 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,532 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,532 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-09 10:30:04,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-09 10:30:04,532 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-09 10:30:04,549 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,549 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,550 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-09 10:30:04,550 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:04,550 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:04,550 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:04,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,552 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,552 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,552 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-09 10:30:04,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-09 10:30:04,552 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-09 10:30:04,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,569 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,569 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-09 10:30:04,569 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-09 10:30:04,570 - INFO - problem_instance short name: Fe_1
+2024-12-09 10:30:04,570 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,570 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-09 10:30:04,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,571 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,571 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,571 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-09 10:30:04,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-09 10:30:04,571 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-09 10:30:04,588 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,588 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,588 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-09 10:30:04,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-09 10:30:04,588 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,588 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-09 10:30:04,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,590 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,590 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,590 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-09 10:30:04,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-09 10:30:04,590 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-09 10:30:04,607 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,607 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,607 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-09 10:30:04,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-09 10:30:04,607 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,607 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-09 10:30:04,607 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-09 10:30:04,607 - INFO - problem_instance short name: ScO_0
+2024-12-09 10:30:04,607 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,608 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-09 10:30:04,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,609 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,609 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,609 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-09 10:30:04,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-09 10:30:04,609 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-09 10:30:04,625 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,626 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,626 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-09 10:30:04,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-09 10:30:04,626 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,626 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-09 10:30:04,626 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-09 10:30:04,626 - INFO - problem_instance short name: planted_solution_0003
+2024-12-09 10:30:04,626 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,626 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-09 10:30:04,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,628 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,628 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-09 10:30:04,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-09 10:30:04,628 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-09 10:30:04,644 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,645 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,645 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-09 10:30:04,645 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-09 10:30:04,645 - INFO - problem_instance short name: h_c_n_0
+2024-12-09 10:30:04,645 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,645 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-09 10:30:04,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,647 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,647 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,647 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-09 10:30:04,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-09 10:30:04,647 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-09 10:30:04,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,664 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,664 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-09 10:30:04,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-09 10:30:04,664 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,664 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-09 10:30:04,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,666 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,666 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,666 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-09 10:30:04,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-09 10:30:04,666 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-09 10:30:04,682 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,683 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,683 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-09 10:30:04,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-09 10:30:04,683 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,683 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-09 10:30:04,683 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-09 10:30:04,683 - INFO - problem_instance short name: si_h4_0
+2024-12-09 10:30:04,683 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,683 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-09 10:30:04,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,685 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,685 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,685 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-09 10:30:04,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-09 10:30:04,685 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-09 10:30:04,702 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,702 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,702 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-09 10:30:04,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-09 10:30:04,702 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,702 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-09 10:30:04,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,704 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,704 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,704 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-09 10:30:04,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-09 10:30:04,704 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-09 10:30:04,721 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,721 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,721 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-09 10:30:04,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-09 10:30:04,721 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,722 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-09 10:30:04,722 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-09 10:30:04,722 - INFO - problem_instance short name: planted_solution_0009
+2024-12-09 10:30:04,722 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,722 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-09 10:30:04,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,723 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,723 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,723 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-09 10:30:04,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-09 10:30:04,724 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-09 10:30:04,740 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,741 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,741 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-09 10:30:04,741 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-09 10:30:04,741 - INFO - problem_instance short name: Mn_1
+2024-12-09 10:30:04,741 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,741 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-09 10:30:04,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,743 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,743 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,743 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-09 10:30:04,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-09 10:30:04,743 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-09 10:30:04,759 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,760 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,760 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-09 10:30:04,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-09 10:30:04,760 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,760 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-09 10:30:04,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,761 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,761 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,762 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-09 10:30:04,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-09 10:30:04,762 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-09 10:30:04,778 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,778 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,779 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-09 10:30:04,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-09 10:30:04,779 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,779 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-09 10:30:04,779 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-09 10:30:04,779 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-09 10:30:04,779 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,779 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-09 10:30:04,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,781 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,781 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,781 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-09 10:30:04,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-09 10:30:04,781 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-09 10:30:04,798 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,798 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,798 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-09 10:30:04,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-09 10:30:04,798 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,798 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-09 10:30:04,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,800 - INFO - number of orbitals:  106
+2024-12-09 10:30:04,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,800 - INFO - moving on ...
+2024-12-09 10:30:04,800 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
+2024-12-09 10:30:04,800 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
+2024-12-09 10:30:04,800 - INFO - problem_instance short name: p2_0
+2024-12-09 10:30:04,800 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,800 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
+2024-12-09 10:30:04,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,801 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,802 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,802 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
+2024-12-09 10:30:04,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
+2024-12-09 10:30:04,802 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
+2024-12-09 10:30:04,818 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,818 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,818 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
+2024-12-09 10:30:04,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
+2024-12-09 10:30:04,819 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,819 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
+2024-12-09 10:30:04,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,820 - INFO - number of orbitals:  118
+2024-12-09 10:30:04,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,820 - INFO - moving on ...
+2024-12-09 10:30:04,820 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
+2024-12-09 10:30:04,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,822 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,822 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,822 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
+2024-12-09 10:30:04,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
+2024-12-09 10:30:04,822 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
+2024-12-09 10:30:04,838 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,838 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,838 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
+2024-12-09 10:30:04,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
+2024-12-09 10:30:04,839 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,839 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
+2024-12-09 10:30:04,839 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
+2024-12-09 10:30:04,839 - INFO - problem_instance short name: si_o_0
+2024-12-09 10:30:04,839 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,839 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
+2024-12-09 10:30:04,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,840 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,840 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,840 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
+2024-12-09 10:30:04,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
+2024-12-09 10:30:04,841 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
+2024-12-09 10:30:04,857 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,858 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,858 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
+2024-12-09 10:30:04,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
+2024-12-09 10:30:04,858 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,858 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
+2024-12-09 10:30:04,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,859 - INFO - number of orbitals:  114
+2024-12-09 10:30:04,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,860 - INFO - moving on ...
+2024-12-09 10:30:04,860 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
+2024-12-09 10:30:04,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,861 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,861 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,861 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
+2024-12-09 10:30:04,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
+2024-12-09 10:30:04,861 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
+2024-12-09 10:30:04,877 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,878 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,878 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
+2024-12-09 10:30:04,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
+2024-12-09 10:30:04,878 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,878 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
+2024-12-09 10:30:04,878 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
+2024-12-09 10:30:04,878 - INFO - problem_instance short name: h2_o_0
+2024-12-09 10:30:04,878 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,878 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
+2024-12-09 10:30:04,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,880 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,880 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,880 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
+2024-12-09 10:30:04,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
+2024-12-09 10:30:04,880 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
+2024-12-09 10:30:04,897 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,897 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,897 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
+2024-12-09 10:30:04,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
+2024-12-09 10:30:04,897 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,897 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
+2024-12-09 10:30:04,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,899 - INFO - number of orbitals:  115
+2024-12-09 10:30:04,899 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:04,899 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:04,899 - INFO - moving on ...
+2024-12-09 10:30:04,899 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
+2024-12-09 10:30:04,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,901 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,901 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,901 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
+2024-12-09 10:30:04,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
+2024-12-09 10:30:04,901 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
+2024-12-09 10:30:04,917 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,918 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,918 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
+2024-12-09 10:30:04,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
+2024-12-09 10:30:04,918 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,918 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
+2024-12-09 10:30:04,918 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
+2024-12-09 10:30:04,918 - INFO - problem_instance short name: h_o_cl_0
+2024-12-09 10:30:04,918 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,918 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
+2024-12-09 10:30:04,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,920 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,920 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,920 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
+2024-12-09 10:30:04,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
+2024-12-09 10:30:04,920 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
+2024-12-09 10:30:04,937 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,937 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,937 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
+2024-12-09 10:30:04,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
+2024-12-09 10:30:04,938 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,938 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
+2024-12-09 10:30:04,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,939 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,939 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,939 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
+2024-12-09 10:30:04,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
+2024-12-09 10:30:04,939 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
+2024-12-09 10:30:04,956 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,956 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,956 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
+2024-12-09 10:30:04,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
+2024-12-09 10:30:04,956 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,956 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
+2024-12-09 10:30:04,957 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
+2024-12-09 10:30:04,957 - INFO - problem_instance short name: c2_h6_0
+2024-12-09 10:30:04,957 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,957 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
+2024-12-09 10:30:04,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,958 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,958 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,958 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
+2024-12-09 10:30:04,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
+2024-12-09 10:30:04,958 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
+2024-12-09 10:30:04,975 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,975 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,975 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
+2024-12-09 10:30:04,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
+2024-12-09 10:30:04,976 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:04,976 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
+2024-12-09 10:30:04,976 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
+2024-12-09 10:30:04,976 - INFO - problem_instance short name: planted_solution_0001
+2024-12-09 10:30:04,976 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,976 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
+2024-12-09 10:30:04,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,977 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,977 - INFO - number of supporting files: 1
+2024-12-09 10:30:04,977 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
+2024-12-09 10:30:04,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
+2024-12-09 10:30:04,978 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
+2024-12-09 10:30:04,994 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:04,994 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
+2024-12-09 10:30:04,995 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
+2024-12-09 10:30:04,995 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
+2024-12-09 10:30:04,995 - INFO - problem_instance short name: c_h4_0
+2024-12-09 10:30:04,995 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:04,995 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
+2024-12-09 10:30:04,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:04,996 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:04,997 - INFO - number of supporting files: 2
+2024-12-09 10:30:04,997 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
+2024-12-09 10:30:04,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
+2024-12-09 10:30:04,997 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
+2024-12-09 10:30:05,013 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,014 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,014 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
+2024-12-09 10:30:05,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
+2024-12-09 10:30:05,014 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,014 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
+2024-12-09 10:30:05,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,015 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,015 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,015 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
+2024-12-09 10:30:05,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
+2024-12-09 10:30:05,016 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
+2024-12-09 10:30:05,032 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,032 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,032 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
+2024-12-09 10:30:05,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
+2024-12-09 10:30:05,032 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,032 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
+2024-12-09 10:30:05,033 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
+2024-12-09 10:30:05,033 - INFO - problem_instance short name: V_1
+2024-12-09 10:30:05,033 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,033 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
+2024-12-09 10:30:05,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,034 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,034 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,034 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
+2024-12-09 10:30:05,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
+2024-12-09 10:30:05,034 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
+2024-12-09 10:30:05,051 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,051 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,051 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
+2024-12-09 10:30:05,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
+2024-12-09 10:30:05,051 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,051 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
+2024-12-09 10:30:05,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,053 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,053 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,053 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
+2024-12-09 10:30:05,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
+2024-12-09 10:30:05,053 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
+2024-12-09 10:30:05,069 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,070 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,070 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
+2024-12-09 10:30:05,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
+2024-12-09 10:30:05,070 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,070 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
+2024-12-09 10:30:05,070 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
+2024-12-09 10:30:05,070 - INFO - problem_instance short name: planted_solution_0007
+2024-12-09 10:30:05,070 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,070 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
+2024-12-09 10:30:05,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,072 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,072 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,072 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
+2024-12-09 10:30:05,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
+2024-12-09 10:30:05,072 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
+2024-12-09 10:30:05,089 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,089 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,089 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
+2024-12-09 10:30:05,089 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
+2024-12-09 10:30:05,089 - INFO - problem_instance short name: Ti_0
+2024-12-09 10:30:05,089 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,090 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
+2024-12-09 10:30:05,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,091 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,091 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,091 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
+2024-12-09 10:30:05,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
+2024-12-09 10:30:05,091 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
+2024-12-09 10:30:05,108 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,108 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,108 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
+2024-12-09 10:30:05,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
+2024-12-09 10:30:05,108 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,108 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
+2024-12-09 10:30:05,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,110 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,110 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,110 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
+2024-12-09 10:30:05,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
+2024-12-09 10:30:05,110 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
+2024-12-09 10:30:05,126 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,127 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,127 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
+2024-12-09 10:30:05,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
+2024-12-09 10:30:05,127 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,127 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
+2024-12-09 10:30:05,127 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
+2024-12-09 10:30:05,127 - INFO - problem_instance short name: CrO_0
+2024-12-09 10:30:05,127 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,127 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
+2024-12-09 10:30:05,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,129 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,129 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,129 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
+2024-12-09 10:30:05,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
+2024-12-09 10:30:05,129 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
+2024-12-09 10:30:05,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,146 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,146 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
+2024-12-09 10:30:05,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
+2024-12-09 10:30:05,146 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,146 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
+2024-12-09 10:30:05,146 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
+2024-12-09 10:30:05,146 - INFO - problem_instance short name: planted_solution_0002
+2024-12-09 10:30:05,146 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,146 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
+2024-12-09 10:30:05,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,148 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,148 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
+2024-12-09 10:30:05,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
+2024-12-09 10:30:05,148 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
+2024-12-09 10:30:05,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,165 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,166 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
+2024-12-09 10:30:05,166 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
+2024-12-09 10:30:05,166 - INFO - problem_instance short name: h3_c_o_h_0
+2024-12-09 10:30:05,166 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,166 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
+2024-12-09 10:30:05,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,167 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,168 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,168 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
+2024-12-09 10:30:05,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
+2024-12-09 10:30:05,168 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
+2024-12-09 10:30:05,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,185 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,185 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
+2024-12-09 10:30:05,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
+2024-12-09 10:30:05,185 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,185 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
+2024-12-09 10:30:05,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,187 - INFO - number of orbitals:  116
+2024-12-09 10:30:05,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,187 - INFO - moving on ...
+2024-12-09 10:30:05,187 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
+2024-12-09 10:30:05,187 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
+2024-12-09 10:30:05,187 - INFO - problem_instance short name: Cr_0
+2024-12-09 10:30:05,187 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,187 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
+2024-12-09 10:30:05,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,189 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,189 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,189 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
+2024-12-09 10:30:05,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
+2024-12-09 10:30:05,189 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
+2024-12-09 10:30:05,205 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,206 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,206 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
+2024-12-09 10:30:05,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
+2024-12-09 10:30:05,206 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,206 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
+2024-12-09 10:30:05,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,208 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,208 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
+2024-12-09 10:30:05,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
+2024-12-09 10:30:05,208 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
+2024-12-09 10:30:05,225 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,225 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,225 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
+2024-12-09 10:30:05,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
+2024-12-09 10:30:05,225 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,225 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
+2024-12-09 10:30:05,225 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
+2024-12-09 10:30:05,226 - INFO - problem_instance short name: h2_o2_0
+2024-12-09 10:30:05,226 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,226 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
+2024-12-09 10:30:05,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,227 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,227 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
+2024-12-09 10:30:05,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
+2024-12-09 10:30:05,227 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
+2024-12-09 10:30:05,244 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,245 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,245 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
+2024-12-09 10:30:05,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
+2024-12-09 10:30:05,245 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,245 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
+2024-12-09 10:30:05,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,247 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,247 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,247 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
+2024-12-09 10:30:05,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
+2024-12-09 10:30:05,247 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
+2024-12-09 10:30:05,263 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,263 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,264 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
+2024-12-09 10:30:05,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
+2024-12-09 10:30:05,264 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,264 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
+2024-12-09 10:30:05,264 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
+2024-12-09 10:30:05,264 - INFO - problem_instance short name: c_o_0
+2024-12-09 10:30:05,264 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,264 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
+2024-12-09 10:30:05,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,266 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,266 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,266 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
+2024-12-09 10:30:05,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
+2024-12-09 10:30:05,266 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
+2024-12-09 10:30:05,282 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,282 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,282 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
+2024-12-09 10:30:05,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
+2024-12-09 10:30:05,282 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,282 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
+2024-12-09 10:30:05,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,284 - INFO - number of orbitals:  110
+2024-12-09 10:30:05,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,284 - INFO - moving on ...
+2024-12-09 10:30:05,284 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
+2024-12-09 10:30:05,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,285 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,285 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,285 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
+2024-12-09 10:30:05,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
+2024-12-09 10:30:05,285 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
+2024-12-09 10:30:05,301 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,302 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,302 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
+2024-12-09 10:30:05,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
+2024-12-09 10:30:05,302 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,302 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
+2024-12-09 10:30:05,302 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
+2024-12-09 10:30:05,302 - INFO - problem_instance short name: Sc_1
+2024-12-09 10:30:05,302 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,302 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
+2024-12-09 10:30:05,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,304 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,304 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,304 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
+2024-12-09 10:30:05,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
+2024-12-09 10:30:05,304 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
+2024-12-09 10:30:05,320 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,321 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,321 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
+2024-12-09 10:30:05,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
+2024-12-09 10:30:05,321 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,321 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
+2024-12-09 10:30:05,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,323 - INFO - number of orbitals:  135
+2024-12-09 10:30:05,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,323 - INFO - moving on ...
+2024-12-09 10:30:05,323 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
+2024-12-09 10:30:05,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,324 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,324 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,324 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
+2024-12-09 10:30:05,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
+2024-12-09 10:30:05,324 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
+2024-12-09 10:30:05,340 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,341 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,341 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
+2024-12-09 10:30:05,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
+2024-12-09 10:30:05,341 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,341 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
+2024-12-09 10:30:05,341 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
+2024-12-09 10:30:05,341 - INFO - problem_instance short name: si_h2_singlet_0
+2024-12-09 10:30:05,341 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,341 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
+2024-12-09 10:30:05,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,343 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,343 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,343 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
+2024-12-09 10:30:05,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
+2024-12-09 10:30:05,343 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
+2024-12-09 10:30:05,359 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,360 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,360 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
+2024-12-09 10:30:05,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
+2024-12-09 10:30:05,360 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,360 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
+2024-12-09 10:30:05,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,362 - INFO - number of orbitals:  119
+2024-12-09 10:30:05,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,362 - INFO - moving on ...
+2024-12-09 10:30:05,362 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
+2024-12-09 10:30:05,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,363 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,363 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,363 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
+2024-12-09 10:30:05,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
+2024-12-09 10:30:05,363 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
+2024-12-09 10:30:05,379 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,380 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,380 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
+2024-12-09 10:30:05,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
+2024-12-09 10:30:05,380 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,380 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
+2024-12-09 10:30:05,380 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
+2024-12-09 10:30:05,380 - INFO - problem_instance short name: c_s_0
+2024-12-09 10:30:05,380 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,380 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
+2024-12-09 10:30:05,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,382 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,382 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,382 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
+2024-12-09 10:30:05,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
+2024-12-09 10:30:05,382 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
+2024-12-09 10:30:05,398 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,399 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,399 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
+2024-12-09 10:30:05,399 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
+2024-12-09 10:30:05,399 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,399 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
+2024-12-09 10:30:05,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,400 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,401 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,401 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
+2024-12-09 10:30:05,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
+2024-12-09 10:30:05,401 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
+2024-12-09 10:30:05,417 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,418 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,418 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
+2024-12-09 10:30:05,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
+2024-12-09 10:30:05,418 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,418 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
+2024-12-09 10:30:05,418 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
+2024-12-09 10:30:05,418 - INFO - problem_instance short name: h3_c_s_h_0
+2024-12-09 10:30:05,418 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,418 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
+2024-12-09 10:30:05,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,420 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,420 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,420 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
+2024-12-09 10:30:05,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
+2024-12-09 10:30:05,420 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
+2024-12-09 10:30:05,436 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,437 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,437 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
+2024-12-09 10:30:05,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
+2024-12-09 10:30:05,437 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,437 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
+2024-12-09 10:30:05,437 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
+2024-12-09 10:30:05,437 - INFO - problem_instance short name: h_cl_0
+2024-12-09 10:30:05,437 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,437 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
+2024-12-09 10:30:05,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,439 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,439 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,439 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
+2024-12-09 10:30:05,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
+2024-12-09 10:30:05,439 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
+2024-12-09 10:30:05,456 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,456 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,456 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
+2024-12-09 10:30:05,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
+2024-12-09 10:30:05,456 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,456 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
+2024-12-09 10:30:05,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,458 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,458 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,458 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
+2024-12-09 10:30:05,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
+2024-12-09 10:30:05,458 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
+2024-12-09 10:30:05,475 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,475 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,475 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
+2024-12-09 10:30:05,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
+2024-12-09 10:30:05,475 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,475 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
+2024-12-09 10:30:05,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,477 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,477 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,477 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
+2024-12-09 10:30:05,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
+2024-12-09 10:30:05,477 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
+2024-12-09 10:30:05,494 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,494 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,494 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
+2024-12-09 10:30:05,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
+2024-12-09 10:30:05,494 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,494 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
+2024-12-09 10:30:05,495 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
+2024-12-09 10:30:05,495 - INFO - problem_instance short name: s_o2_0
+2024-12-09 10:30:05,495 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,495 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
+2024-12-09 10:30:05,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,496 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,496 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,496 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
+2024-12-09 10:30:05,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
+2024-12-09 10:30:05,496 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
+2024-12-09 10:30:05,513 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,513 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,513 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
+2024-12-09 10:30:05,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
+2024-12-09 10:30:05,513 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,513 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
+2024-12-09 10:30:05,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,515 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,515 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,515 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
+2024-12-09 10:30:05,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
+2024-12-09 10:30:05,515 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
+2024-12-09 10:30:05,531 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,532 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,532 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
+2024-12-09 10:30:05,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
+2024-12-09 10:30:05,532 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,532 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
+2024-12-09 10:30:05,532 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
+2024-12-09 10:30:05,532 - INFO - problem_instance short name: planted_solution_0004
+2024-12-09 10:30:05,532 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,532 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
+2024-12-09 10:30:05,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,534 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,534 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,534 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
+2024-12-09 10:30:05,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
+2024-12-09 10:30:05,534 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
+2024-12-09 10:30:05,550 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,551 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,551 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
+2024-12-09 10:30:05,551 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
+2024-12-09 10:30:05,551 - INFO - problem_instance short name: O_0
+2024-12-09 10:30:05,551 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,551 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
+2024-12-09 10:30:05,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,553 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,553 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,553 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
+2024-12-09 10:30:05,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
+2024-12-09 10:30:05,553 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
+2024-12-09 10:30:05,569 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,570 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,570 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
+2024-12-09 10:30:05,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
+2024-12-09 10:30:05,570 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,570 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
+2024-12-09 10:30:05,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,572 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,572 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,572 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
+2024-12-09 10:30:05,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
+2024-12-09 10:30:05,572 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
+2024-12-09 10:30:05,589 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,589 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,589 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
+2024-12-09 10:30:05,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
+2024-12-09 10:30:05,589 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,590 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
+2024-12-09 10:30:05,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,591 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,591 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,591 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
+2024-12-09 10:30:05,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
+2024-12-09 10:30:05,591 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
+2024-12-09 10:30:05,608 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,608 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,608 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
+2024-12-09 10:30:05,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
+2024-12-09 10:30:05,608 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,608 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
+2024-12-09 10:30:05,608 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
+2024-12-09 10:30:05,609 - INFO - problem_instance short name: ozone
+2024-12-09 10:30:05,609 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,609 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
+2024-12-09 10:30:05,609 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,609 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,609 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,611 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,611 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,611 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
+2024-12-09 10:30:05,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
+2024-12-09 10:30:05,611 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
+2024-12-09 10:30:05,628 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,628 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,628 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
+2024-12-09 10:30:05,628 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,628 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,628 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,630 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,631 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,631 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
+2024-12-09 10:30:05,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
+2024-12-09 10:30:05,631 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
+2024-12-09 10:30:05,647 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,647 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,647 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
+2024-12-09 10:30:05,648 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,648 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,650 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,650 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,650 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
+2024-12-09 10:30:05,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
+2024-12-09 10:30:05,650 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
+2024-12-09 10:30:05,667 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,667 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,667 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
+2024-12-09 10:30:05,667 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,667 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,667 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,669 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,669 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,669 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
+2024-12-09 10:30:05,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
+2024-12-09 10:30:05,669 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
+2024-12-09 10:30:05,686 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,687 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,687 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
+2024-12-09 10:30:05,687 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,687 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,687 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,689 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,689 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,689 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
+2024-12-09 10:30:05,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
+2024-12-09 10:30:05,689 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
+2024-12-09 10:30:05,707 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,707 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,707 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
+2024-12-09 10:30:05,707 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,707 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,707 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,710 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,710 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,710 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
+2024-12-09 10:30:05,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
+2024-12-09 10:30:05,710 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
+2024-12-09 10:30:05,727 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,728 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,728 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
+2024-12-09 10:30:05,728 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
+2024-12-09 10:30:05,728 - INFO - problem_instance short name: c_h2_singlet_0
+2024-12-09 10:30:05,728 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,728 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
+2024-12-09 10:30:05,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,730 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,730 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,730 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
+2024-12-09 10:30:05,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
+2024-12-09 10:30:05,730 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
+2024-12-09 10:30:05,747 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,747 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,747 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
+2024-12-09 10:30:05,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
+2024-12-09 10:30:05,747 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,747 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
+2024-12-09 10:30:05,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,749 - INFO - number of orbitals:  115
+2024-12-09 10:30:05,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
+2024-12-09 10:30:05,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:05,749 - INFO - moving on ...
+2024-12-09 10:30:05,749 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
+2024-12-09 10:30:05,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,751 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,751 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,751 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
+2024-12-09 10:30:05,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
+2024-12-09 10:30:05,751 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
+2024-12-09 10:30:05,767 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,768 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,768 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
+2024-12-09 10:30:05,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
+2024-12-09 10:30:05,768 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,768 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
+2024-12-09 10:30:05,768 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
+2024-12-09 10:30:05,768 - INFO - problem_instance short name: VO_0
+2024-12-09 10:30:05,768 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,768 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
+2024-12-09 10:30:05,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,770 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,770 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,770 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
+2024-12-09 10:30:05,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
+2024-12-09 10:30:05,770 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
+2024-12-09 10:30:05,786 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,787 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,787 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
+2024-12-09 10:30:05,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
+2024-12-09 10:30:05,787 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:05,787 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
+2024-12-09 10:30:05,787 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
+2024-12-09 10:30:05,788 - INFO - problem_instance short name: planted_solution_0005
+2024-12-09 10:30:05,788 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,788 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
+2024-12-09 10:30:05,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,789 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,789 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,789 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
+2024-12-09 10:30:05,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
+2024-12-09 10:30:05,789 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
+2024-12-09 10:30:05,806 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,806 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,806 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
+2024-12-09 10:30:05,807 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
+2024-12-09 10:30:05,807 - INFO - problem_instance short name: ru_mono
+2024-12-09 10:30:05,807 - INFO - contains 6 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,807 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
+2024-12-09 10:30:05,807 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,807 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,807 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,809 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,809 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,809 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
+2024-12-09 10:30:05,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
+2024-12-09 10:30:05,809 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
+2024-12-09 10:30:05,825 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,826 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,826 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
+2024-12-09 10:30:05,826 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,826 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,826 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,828 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,828 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,828 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
+2024-12-09 10:30:05,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
+2024-12-09 10:30:05,828 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
+2024-12-09 10:30:05,845 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,845 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,845 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
+2024-12-09 10:30:05,845 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,845 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,845 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,847 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,847 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,847 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
+2024-12-09 10:30:05,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
+2024-12-09 10:30:05,848 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
+2024-12-09 10:30:05,864 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,865 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,865 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
+2024-12-09 10:30:05,865 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,865 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,865 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,867 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,867 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,867 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
+2024-12-09 10:30:05,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
+2024-12-09 10:30:05,867 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
+2024-12-09 10:30:05,885 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,885 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,885 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
+2024-12-09 10:30:05,885 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,886 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,886 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,888 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,888 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,888 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
+2024-12-09 10:30:05,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
+2024-12-09 10:30:05,888 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
+2024-12-09 10:30:05,904 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,904 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,904 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
+2024-12-09 10:30:05,904 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,904 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,904 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,906 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,906 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,906 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
+2024-12-09 10:30:05,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
+2024-12-09 10:30:05,907 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
+2024-12-09 10:30:05,923 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,923 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,924 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
+2024-12-09 10:30:05,924 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
+2024-12-09 10:30:05,924 - INFO - problem_instance short name: mo2_n2
+2024-12-09 10:30:05,924 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,924 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
+2024-12-09 10:30:05,924 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,924 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,925 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,927 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,927 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,927 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
+2024-12-09 10:30:05,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
+2024-12-09 10:30:05,927 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
+2024-12-09 10:30:05,943 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,944 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,944 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
+2024-12-09 10:30:05,944 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,944 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,944 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,946 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,946 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,946 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
+2024-12-09 10:30:05,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
+2024-12-09 10:30:05,946 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
+2024-12-09 10:30:05,963 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,963 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,963 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
+2024-12-09 10:30:05,963 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:05,963 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:05,963 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:05,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,965 - INFO - number of supporting files: 1
+2024-12-09 10:30:05,965 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
+2024-12-09 10:30:05,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
+2024-12-09 10:30:05,966 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
+2024-12-09 10:30:05,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:05,982 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
+2024-12-09 10:30:05,982 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
+2024-12-09 10:30:05,983 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
+2024-12-09 10:30:05,983 - INFO - problem_instance short name: MnO_0
+2024-12-09 10:30:05,983 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:05,983 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
+2024-12-09 10:30:05,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:05,984 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:05,984 - INFO - number of supporting files: 2
+2024-12-09 10:30:05,985 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
+2024-12-09 10:30:05,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
+2024-12-09 10:30:05,985 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
+2024-12-09 10:30:06,002 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,002 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,002 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
+2024-12-09 10:30:06,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
+2024-12-09 10:30:06,002 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,002 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
+2024-12-09 10:30:06,003 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
+2024-12-09 10:30:06,003 - INFO - problem_instance short name: mo_n2_pincer
+2024-12-09 10:30:06,003 - INFO - contains 16 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,003 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
+2024-12-09 10:30:06,003 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,003 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,004 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,006 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,006 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,006 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
+2024-12-09 10:30:06,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
+2024-12-09 10:30:06,006 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
+2024-12-09 10:30:06,024 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,024 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,024 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
+2024-12-09 10:30:06,024 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,025 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,025 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,027 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,027 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,027 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
+2024-12-09 10:30:06,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
+2024-12-09 10:30:06,027 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
+2024-12-09 10:30:06,044 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,044 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,044 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
+2024-12-09 10:30:06,044 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,044 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,045 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,047 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,047 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,047 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
+2024-12-09 10:30:06,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
+2024-12-09 10:30:06,047 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
+2024-12-09 10:30:06,064 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,065 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,065 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
+2024-12-09 10:30:06,065 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,065 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,065 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,067 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,067 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,067 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
+2024-12-09 10:30:06,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
+2024-12-09 10:30:06,067 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
+2024-12-09 10:30:06,084 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,085 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,085 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
+2024-12-09 10:30:06,085 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,085 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,085 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,087 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,087 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,087 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
+2024-12-09 10:30:06,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
+2024-12-09 10:30:06,087 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
+2024-12-09 10:30:06,104 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,105 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,105 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
+2024-12-09 10:30:06,105 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,105 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,105 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,107 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,107 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,107 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
+2024-12-09 10:30:06,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
+2024-12-09 10:30:06,108 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
+2024-12-09 10:30:06,125 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,125 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,125 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
+2024-12-09 10:30:06,125 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,125 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,126 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,128 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,128 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,128 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
+2024-12-09 10:30:06,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
+2024-12-09 10:30:06,128 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
+2024-12-09 10:30:06,145 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,146 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,146 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
+2024-12-09 10:30:06,146 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,146 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,146 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,148 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,148 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,148 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
+2024-12-09 10:30:06,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
+2024-12-09 10:30:06,148 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
+2024-12-09 10:30:06,165 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,166 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,166 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
+2024-12-09 10:30:06,166 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,166 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,166 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,168 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,168 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,168 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
+2024-12-09 10:30:06,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
+2024-12-09 10:30:06,168 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
+2024-12-09 10:30:06,184 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,184 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,185 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
+2024-12-09 10:30:06,185 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,185 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,185 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,187 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,187 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,187 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
+2024-12-09 10:30:06,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
+2024-12-09 10:30:06,187 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
+2024-12-09 10:30:06,204 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,204 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,204 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
+2024-12-09 10:30:06,204 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,204 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,205 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,207 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,207 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
+2024-12-09 10:30:06,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
+2024-12-09 10:30:06,207 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
+2024-12-09 10:30:06,224 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,225 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,225 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
+2024-12-09 10:30:06,225 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,225 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,225 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,227 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,227 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,227 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
+2024-12-09 10:30:06,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
+2024-12-09 10:30:06,227 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
+2024-12-09 10:30:06,244 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,245 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,245 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
+2024-12-09 10:30:06,245 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,245 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,245 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,247 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,248 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,248 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
+2024-12-09 10:30:06,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
+2024-12-09 10:30:06,248 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
+2024-12-09 10:30:06,269 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,270 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,270 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
+2024-12-09 10:30:06,270 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,270 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,270 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,272 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,272 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
+2024-12-09 10:30:06,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
+2024-12-09 10:30:06,273 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
+2024-12-09 10:30:06,289 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,289 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,289 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
+2024-12-09 10:30:06,289 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,290 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,290 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,292 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,292 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,292 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
+2024-12-09 10:30:06,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
+2024-12-09 10:30:06,292 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
+2024-12-09 10:30:06,308 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,309 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,309 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
+2024-12-09 10:30:06,309 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,309 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,309 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,311 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,311 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,311 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
+2024-12-09 10:30:06,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
+2024-12-09 10:30:06,311 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
+2024-12-09 10:30:06,328 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,329 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,329 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
+2024-12-09 10:30:06,329 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
+2024-12-09 10:30:06,329 - INFO - problem_instance short name: c_o2_0
+2024-12-09 10:30:06,329 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,329 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
+2024-12-09 10:30:06,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,331 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,331 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,331 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
+2024-12-09 10:30:06,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
+2024-12-09 10:30:06,331 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
+2024-12-09 10:30:06,348 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,348 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,348 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
+2024-12-09 10:30:06,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
+2024-12-09 10:30:06,348 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,348 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
+2024-12-09 10:30:06,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,350 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,350 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,350 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
+2024-12-09 10:30:06,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
+2024-12-09 10:30:06,350 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
+2024-12-09 10:30:06,366 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,367 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,367 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
+2024-12-09 10:30:06,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
+2024-12-09 10:30:06,367 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,367 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
+2024-12-09 10:30:06,367 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
+2024-12-09 10:30:06,367 - INFO - problem_instance short name: cl2_0
+2024-12-09 10:30:06,367 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,367 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
+2024-12-09 10:30:06,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,369 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,369 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
+2024-12-09 10:30:06,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
+2024-12-09 10:30:06,369 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
+2024-12-09 10:30:06,386 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,386 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,386 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
+2024-12-09 10:30:06,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
+2024-12-09 10:30:06,387 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,387 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
+2024-12-09 10:30:06,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,388 - INFO - number of orbitals:  118
+2024-12-09 10:30:06,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:06,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:06,388 - INFO - moving on ...
+2024-12-09 10:30:06,388 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
+2024-12-09 10:30:06,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,390 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,390 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,390 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
+2024-12-09 10:30:06,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
+2024-12-09 10:30:06,390 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
+2024-12-09 10:30:06,407 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,407 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,407 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
+2024-12-09 10:30:06,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
+2024-12-09 10:30:06,407 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,407 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
+2024-12-09 10:30:06,407 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
+2024-12-09 10:30:06,408 - INFO - problem_instance short name: Cu_0
+2024-12-09 10:30:06,408 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,408 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
+2024-12-09 10:30:06,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,409 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,409 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,409 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
+2024-12-09 10:30:06,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
+2024-12-09 10:30:06,409 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
+2024-12-09 10:30:06,427 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,428 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,428 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
+2024-12-09 10:30:06,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
+2024-12-09 10:30:06,428 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,428 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
+2024-12-09 10:30:06,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,430 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,430 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,430 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
+2024-12-09 10:30:06,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
+2024-12-09 10:30:06,430 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
+2024-12-09 10:30:06,446 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,446 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,447 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
+2024-12-09 10:30:06,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
+2024-12-09 10:30:06,447 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,447 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
+2024-12-09 10:30:06,447 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
+2024-12-09 10:30:06,447 - INFO - problem_instance short name: si2_h6_0
+2024-12-09 10:30:06,447 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,447 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
+2024-12-09 10:30:06,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,449 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,449 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,449 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
+2024-12-09 10:30:06,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
+2024-12-09 10:30:06,449 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,466 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,466 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,466 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
+2024-12-09 10:30:06,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
+2024-12-09 10:30:06,467 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,467 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
+2024-12-09 10:30:06,467 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
+2024-12-09 10:30:06,467 - INFO - problem_instance short name: blue_dimer
+2024-12-09 10:30:06,467 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,467 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
+2024-12-09 10:30:06,467 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,467 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,467 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,469 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,470 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
+2024-12-09 10:30:06,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
+2024-12-09 10:30:06,470 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
+2024-12-09 10:30:06,487 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,487 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,487 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
+2024-12-09 10:30:06,488 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,488 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,488 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,490 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,490 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,490 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
+2024-12-09 10:30:06,490 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
+2024-12-09 10:30:06,490 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
+2024-12-09 10:30:06,507 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,507 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,507 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
+2024-12-09 10:30:06,507 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,508 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,508 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,509 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,510 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,510 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
+2024-12-09 10:30:06,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
+2024-12-09 10:30:06,510 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,526 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,527 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,527 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
+2024-12-09 10:30:06,527 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,527 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,527 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,529 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,529 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,529 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
+2024-12-09 10:30:06,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
+2024-12-09 10:30:06,529 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,546 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,547 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,547 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
+2024-12-09 10:30:06,547 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,547 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,547 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,549 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,549 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,549 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
+2024-12-09 10:30:06,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
+2024-12-09 10:30:06,549 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
+2024-12-09 10:30:06,566 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,566 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,566 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
+2024-12-09 10:30:06,566 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,567 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,567 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,569 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,569 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,569 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
+2024-12-09 10:30:06,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
+2024-12-09 10:30:06,569 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
+2024-12-09 10:30:06,585 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,586 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,586 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
+2024-12-09 10:30:06,586 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,586 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,586 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,588 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,588 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,588 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
+2024-12-09 10:30:06,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
+2024-12-09 10:30:06,588 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
+2024-12-09 10:30:06,605 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,605 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,605 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
+2024-12-09 10:30:06,605 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,606 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,606 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,608 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,608 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,608 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
+2024-12-09 10:30:06,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
+2024-12-09 10:30:06,608 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
+2024-12-09 10:30:06,625 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,625 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,625 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
+2024-12-09 10:30:06,625 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,626 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,626 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,628 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,628 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,628 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
+2024-12-09 10:30:06,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
+2024-12-09 10:30:06,628 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
+2024-12-09 10:30:06,644 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,645 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,645 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
+2024-12-09 10:30:06,645 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,645 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,645 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,647 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,647 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,647 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
+2024-12-09 10:30:06,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
+2024-12-09 10:30:06,647 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
+2024-12-09 10:30:06,664 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,664 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,664 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
+2024-12-09 10:30:06,664 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,665 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,665 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,667 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,667 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,667 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
+2024-12-09 10:30:06,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
+2024-12-09 10:30:06,667 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,683 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,684 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,684 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
+2024-12-09 10:30:06,684 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,684 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,684 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,686 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,686 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,686 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
+2024-12-09 10:30:06,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
+2024-12-09 10:30:06,686 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
+2024-12-09 10:30:06,703 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,703 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,703 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
+2024-12-09 10:30:06,703 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
+2024-12-09 10:30:06,704 - INFO - problem_instance short name: benzene
+2024-12-09 10:30:06,704 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,704 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
+2024-12-09 10:30:06,704 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,704 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,704 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,706 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,706 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,706 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
+2024-12-09 10:30:06,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
+2024-12-09 10:30:06,706 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
+2024-12-09 10:30:06,722 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,723 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,723 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
+2024-12-09 10:30:06,723 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,723 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,723 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,725 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,725 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,725 - INFO - supporting data file UUID: 96ff0e22-a3ab-49f3-aee9-9a1886cbf850.
+2024-12-09 10:30:06,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz.
+2024-12-09 10:30:06,725 - INFO - assuming FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz is an FCIDUMP file.
+2024-12-09 10:30:06,742 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,742 - INFO - instance_data_object_uuid 96ff0e22-a3ab-49f3-aee9-9a1886cbf850 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,743 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
+2024-12-09 10:30:06,743 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
+2024-12-09 10:30:06,743 - INFO - problem_instance short name: Cr_1
+2024-12-09 10:30:06,743 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,743 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
+2024-12-09 10:30:06,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,745 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,745 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,745 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
+2024-12-09 10:30:06,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
+2024-12-09 10:30:06,745 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
+2024-12-09 10:30:06,763 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,764 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,765 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
+2024-12-09 10:30:06,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
+2024-12-09 10:30:06,765 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,765 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
+2024-12-09 10:30:06,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,767 - INFO - number of orbitals:  135
+2024-12-09 10:30:06,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:06,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:06,767 - INFO - moving on ...
+2024-12-09 10:30:06,767 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
+2024-12-09 10:30:06,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,768 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,768 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,768 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
+2024-12-09 10:30:06,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
+2024-12-09 10:30:06,769 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
+2024-12-09 10:30:06,785 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,785 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,785 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
+2024-12-09 10:30:06,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
+2024-12-09 10:30:06,786 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,786 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
+2024-12-09 10:30:06,786 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
+2024-12-09 10:30:06,786 - INFO - problem_instance short name: Ti_1
+2024-12-09 10:30:06,786 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,786 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
+2024-12-09 10:30:06,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,787 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,788 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,788 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
+2024-12-09 10:30:06,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
+2024-12-09 10:30:06,788 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
+2024-12-09 10:30:06,805 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,805 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,805 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
+2024-12-09 10:30:06,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
+2024-12-09 10:30:06,805 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,805 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
+2024-12-09 10:30:06,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,807 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,807 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,807 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
+2024-12-09 10:30:06,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
+2024-12-09 10:30:06,807 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
+2024-12-09 10:30:06,824 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,824 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,824 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
+2024-12-09 10:30:06,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
+2024-12-09 10:30:06,824 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,824 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
+2024-12-09 10:30:06,825 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
+2024-12-09 10:30:06,825 - INFO - problem_instance short name: V_0
+2024-12-09 10:30:06,825 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,825 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
+2024-12-09 10:30:06,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,826 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,826 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,827 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
+2024-12-09 10:30:06,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
+2024-12-09 10:30:06,827 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
+2024-12-09 10:30:06,843 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,844 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,844 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
+2024-12-09 10:30:06,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
+2024-12-09 10:30:06,844 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,844 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
+2024-12-09 10:30:06,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,846 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,846 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,846 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
+2024-12-09 10:30:06,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
+2024-12-09 10:30:06,846 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
+2024-12-09 10:30:06,862 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,863 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,863 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
+2024-12-09 10:30:06,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
+2024-12-09 10:30:06,863 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,863 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
+2024-12-09 10:30:06,863 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
+2024-12-09 10:30:06,863 - INFO - problem_instance short name: CuO_0
+2024-12-09 10:30:06,863 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,863 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
+2024-12-09 10:30:06,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,865 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,865 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,865 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
+2024-12-09 10:30:06,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
+2024-12-09 10:30:06,865 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
+2024-12-09 10:30:06,881 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,882 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,882 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
+2024-12-09 10:30:06,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
+2024-12-09 10:30:06,882 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,882 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
+2024-12-09 10:30:06,882 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
+2024-12-09 10:30:06,882 - INFO - problem_instance short name: TiO_0
+2024-12-09 10:30:06,882 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,882 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
+2024-12-09 10:30:06,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,884 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,884 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,884 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
+2024-12-09 10:30:06,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
+2024-12-09 10:30:06,884 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
+2024-12-09 10:30:06,901 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,901 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,901 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
+2024-12-09 10:30:06,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
+2024-12-09 10:30:06,901 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,901 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
+2024-12-09 10:30:06,902 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
+2024-12-09 10:30:06,902 - INFO - problem_instance short name: na2_0
+2024-12-09 10:30:06,902 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,902 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
+2024-12-09 10:30:06,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,903 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,903 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,903 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
+2024-12-09 10:30:06,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
+2024-12-09 10:30:06,903 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
+2024-12-09 10:30:06,920 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,921 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,921 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
+2024-12-09 10:30:06,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
+2024-12-09 10:30:06,921 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,921 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
+2024-12-09 10:30:06,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,923 - INFO - number of orbitals:  118
+2024-12-09 10:30:06,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:06,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:06,923 - INFO - moving on ...
+2024-12-09 10:30:06,923 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
+2024-12-09 10:30:06,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,924 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,924 - INFO - number of supporting files: 2
+2024-12-09 10:30:06,924 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
+2024-12-09 10:30:06,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
+2024-12-09 10:30:06,924 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
+2024-12-09 10:30:06,941 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,941 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,942 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
+2024-12-09 10:30:06,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
+2024-12-09 10:30:06,942 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:06,942 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
+2024-12-09 10:30:06,942 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
+2024-12-09 10:30:06,942 - INFO - problem_instance short name: mn_mono
+2024-12-09 10:30:06,942 - INFO - contains 8 associated tasks (Hamiltonians).
+2024-12-09 10:30:06,942 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
+2024-12-09 10:30:06,942 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,943 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,943 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,945 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,945 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,945 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
+2024-12-09 10:30:06,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
+2024-12-09 10:30:06,945 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
+2024-12-09 10:30:06,962 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,962 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,963 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
+2024-12-09 10:30:06,963 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,963 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,963 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,965 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,965 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,965 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
+2024-12-09 10:30:06,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
+2024-12-09 10:30:06,965 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
+2024-12-09 10:30:06,982 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:06,982 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
+2024-12-09 10:30:06,982 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
+2024-12-09 10:30:06,982 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:06,982 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:06,982 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:06,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:06,985 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:06,985 - INFO - number of supporting files: 1
+2024-12-09 10:30:06,985 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
+2024-12-09 10:30:06,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
+2024-12-09 10:30:06,985 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
+2024-12-09 10:30:07,002 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,002 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,003 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
+2024-12-09 10:30:07,003 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,003 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,003 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,005 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,005 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,005 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
+2024-12-09 10:30:07,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
+2024-12-09 10:30:07,005 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
+2024-12-09 10:30:07,022 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,022 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,023 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
+2024-12-09 10:30:07,023 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,023 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,023 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,025 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,025 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,025 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
+2024-12-09 10:30:07,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
+2024-12-09 10:30:07,025 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
+2024-12-09 10:30:07,043 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,043 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,043 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
+2024-12-09 10:30:07,043 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,043 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,043 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,045 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,045 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,046 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
+2024-12-09 10:30:07,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
+2024-12-09 10:30:07,046 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
+2024-12-09 10:30:07,062 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,063 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,063 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
+2024-12-09 10:30:07,063 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,063 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,063 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,065 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,065 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,065 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
+2024-12-09 10:30:07,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
+2024-12-09 10:30:07,065 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
+2024-12-09 10:30:07,082 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,082 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,083 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
+2024-12-09 10:30:07,083 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 10:30:07,083 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 10:30:07,083 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 10:30:07,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,085 - INFO - number of supporting files: 1
+2024-12-09 10:30:07,085 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
+2024-12-09 10:30:07,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
+2024-12-09 10:30:07,085 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
+2024-12-09 10:30:07,101 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,102 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,102 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
+2024-12-09 10:30:07,102 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
+2024-12-09 10:30:07,102 - INFO - problem_instance short name: FeO_0
+2024-12-09 10:30:07,102 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,102 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
+2024-12-09 10:30:07,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,104 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,104 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,104 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
+2024-12-09 10:30:07,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
+2024-12-09 10:30:07,104 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
+2024-12-09 10:30:07,121 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,121 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,121 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
+2024-12-09 10:30:07,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
+2024-12-09 10:30:07,121 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,121 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
+2024-12-09 10:30:07,122 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
+2024-12-09 10:30:07,122 - INFO - problem_instance short name: p_h3_0
+2024-12-09 10:30:07,122 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,122 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
+2024-12-09 10:30:07,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,123 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,123 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,123 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
+2024-12-09 10:30:07,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
+2024-12-09 10:30:07,123 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
+2024-12-09 10:30:07,140 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,140 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,140 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
+2024-12-09 10:30:07,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
+2024-12-09 10:30:07,140 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,141 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
+2024-12-09 10:30:07,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,142 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,142 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,142 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
+2024-12-09 10:30:07,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
+2024-12-09 10:30:07,142 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
+2024-12-09 10:30:07,159 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,159 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,159 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
+2024-12-09 10:30:07,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
+2024-12-09 10:30:07,159 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,159 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
+2024-12-09 10:30:07,159 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
+2024-12-09 10:30:07,160 - INFO - problem_instance short name: h2_s_0
+2024-12-09 10:30:07,160 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,160 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
+2024-12-09 10:30:07,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,161 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,161 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,161 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
+2024-12-09 10:30:07,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
+2024-12-09 10:30:07,161 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
+2024-12-09 10:30:07,177 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,177 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,178 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
+2024-12-09 10:30:07,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
+2024-12-09 10:30:07,178 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,178 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
+2024-12-09 10:30:07,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,179 - INFO - number of orbitals:  119
+2024-12-09 10:30:07,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:07,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:07,179 - INFO - moving on ...
+2024-12-09 10:30:07,179 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
+2024-12-09 10:30:07,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,181 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,181 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,181 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
+2024-12-09 10:30:07,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
+2024-12-09 10:30:07,181 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
+2024-12-09 10:30:07,198 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,198 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,198 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
+2024-12-09 10:30:07,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
+2024-12-09 10:30:07,198 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,199 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
+2024-12-09 10:30:07,199 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
+2024-12-09 10:30:07,199 - INFO - problem_instance short name: Sc_0
+2024-12-09 10:30:07,199 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,199 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
+2024-12-09 10:30:07,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,200 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,200 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,200 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
+2024-12-09 10:30:07,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
+2024-12-09 10:30:07,201 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
+2024-12-09 10:30:07,217 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,217 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,217 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
+2024-12-09 10:30:07,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
+2024-12-09 10:30:07,217 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,218 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
+2024-12-09 10:30:07,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,219 - INFO - number of orbitals:  135
+2024-12-09 10:30:07,219 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:07,219 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:07,219 - INFO - moving on ...
+2024-12-09 10:30:07,219 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
+2024-12-09 10:30:07,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,220 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,221 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,221 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
+2024-12-09 10:30:07,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
+2024-12-09 10:30:07,221 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
+2024-12-09 10:30:07,237 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,237 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,237 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
+2024-12-09 10:30:07,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
+2024-12-09 10:30:07,237 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,237 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
+2024-12-09 10:30:07,238 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
+2024-12-09 10:30:07,238 - INFO - problem_instance short name: na_cl_0
+2024-12-09 10:30:07,238 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,238 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
+2024-12-09 10:30:07,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,239 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,239 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,239 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
+2024-12-09 10:30:07,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
+2024-12-09 10:30:07,240 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
+2024-12-09 10:30:07,256 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,256 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,257 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
+2024-12-09 10:30:07,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
+2024-12-09 10:30:07,257 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,257 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
+2024-12-09 10:30:07,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,258 - INFO - number of orbitals:  118
+2024-12-09 10:30:07,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 10:30:07,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 10:30:07,259 - INFO - moving on ...
+2024-12-09 10:30:07,259 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
+2024-12-09 10:30:07,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,260 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,260 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,260 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
+2024-12-09 10:30:07,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
+2024-12-09 10:30:07,261 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
+2024-12-09 10:30:07,277 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,278 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,278 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
+2024-12-09 10:30:07,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
+2024-12-09 10:30:07,278 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,278 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
+2024-12-09 10:30:07,278 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
+2024-12-09 10:30:07,278 - INFO - problem_instance short name: c2_h2_0
+2024-12-09 10:30:07,278 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,279 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
+2024-12-09 10:30:07,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,280 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,280 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,280 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
+2024-12-09 10:30:07,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
+2024-12-09 10:30:07,280 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
+2024-12-09 10:30:07,297 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,297 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,298 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
+2024-12-09 10:30:07,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
+2024-12-09 10:30:07,298 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,298 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
+2024-12-09 10:30:07,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,299 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,299 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,299 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
+2024-12-09 10:30:07,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
+2024-12-09 10:30:07,299 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
+2024-12-09 10:30:07,316 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,316 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,316 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
+2024-12-09 10:30:07,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
+2024-12-09 10:30:07,316 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,316 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
+2024-12-09 10:30:07,316 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
+2024-12-09 10:30:07,316 - INFO - problem_instance short name: li_f_0
+2024-12-09 10:30:07,317 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 10:30:07,317 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
+2024-12-09 10:30:07,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,318 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,318 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,318 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
+2024-12-09 10:30:07,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
+2024-12-09 10:30:07,318 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
+2024-12-09 10:30:07,336 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,336 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
+2024-12-09 10:30:07,336 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
+2024-12-09 10:30:07,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
+2024-12-09 10:30:07,336 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 10:30:07,336 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
+2024-12-09 10:30:07,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 10:30:07,338 - INFO - attempting to process the Hamiltonian...
+2024-12-09 10:30:07,338 - INFO - number of supporting files: 2
+2024-12-09 10:30:07,338 - INFO - supporting data file UUID: 2294b211-7a05-445e-810d-4c1706e1444c.
+2024-12-09 10:30:07,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz.
+2024-12-09 10:30:07,338 - INFO - assuming fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz is an FCIDUMP file.
+2024-12-09 10:30:07,355 - INFO - number of entries in Hamiltonian_features.csv:  211
+2024-12-09 10:30:07,355 - INFO - did NOT find instance_data_object_uuid 2294b211-7a05-445e-810d-4c1706e1444c in database.
+2024-12-09 10:30:07,355 - INFO - Processing instance_data_object_uuid 2294b211-7a05-445e-810d-4c1706e1444c ...
+2024-12-09 10:30:07,355 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz...
+2024-12-09 10:30:07,404 - INFO - Connected (version 2.0, client 0)
+2024-12-09 10:30:07,928 - INFO - Authentication (publickey) successful!
+2024-12-09 10:30:07,946 - INFO - [chan 0] Opened sftp connection (server version 3)
+2024-12-09 10:31:45,782 - INFO - [chan 0] sftp session closed.
+2024-12-09 10:31:45,782 - INFO - File fetched successfully from sftp.l3harris.com
+2024-12-09 10:31:45,782 - INFO - decompressing file fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz...
+2024-12-09 10:31:50,116 - INFO - this script has been running for 0.04 hours.
+2024-12-09 10:31:50,116 - INFO - ===============================================
+2024-12-09 10:31:50,116 - INFO - calculating Hamiltonian features...
+2024-12-09 10:31:50,116 - INFO - reading data from fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c
+2024-12-09 10:32:25,961 - INFO - finished reading FCIDUMP data.
+2024-12-09 10:32:25,961 - INFO - data['NORB']: 110
+2024-12-09 10:32:25,962 - INFO - len(data['H1']): 110
+2024-12-09 10:32:25,962 - INFO - ao2mo.restore...
+2024-12-09 10:32:26,534 - INFO - done.
+2024-12-09 10:32:26,535 - INFO - QuarticDirac(eri_4d, h1, norb)...
+2024-12-09 10:32:26,535 - INFO - done.
+2024-12-09 10:32:26,535 - INFO - majorana_operator_from_quartic(quartic_fermion)...
+2024-12-09 14:54:46,153 - INFO - done.
+2024-12-09 14:54:46,153 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
+2024-12-09 15:23:43,006 - INFO - done.
+2024-12-09 15:23:43,006 - INFO - compute_hypergraph_ham_features(pauli_data)...
+2024-12-09 15:27:26,897 - INFO - done.
+2024-12-09 15:27:26,897 - INFO - double_factorization_from_quartic(quartic_fermion)...
+2024-12-09 15:28:27,923 - INFO - done.
+2024-12-09 15:28:27,924 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
+2024-12-09 15:28:27,927 - INFO - done.
+2024-12-09 15:28:27,927 - INFO - Compute FCI determinant dimension using binomial coefficients...
+2024-12-09 15:28:27,928 - INFO - done.
+2024-12-09 15:28:45,172 - INFO - Hamiltonian features calculation run time (seconds): 17815.055222
+2024-12-09 15:28:45,172 - INFO - wrote df_eigs to file: df_eigs.2294b211-7a05-445e-810d-4c1706e1444c.bin
+2024-12-09 15:28:45,172 - INFO - deleting file fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.
+2024-12-09 15:28:45,255 - INFO - appending data to file Hamiltonian_features.csv
+2024-12-09 15:28:45,270 - INFO - this script has been running for 4.99 hours.
+2024-12-09 15:28:45,271 - INFO - supporting data file UUID: e2d31834-f73d-46a0-ba41-fa67b298611c.
+2024-12-09 15:28:45,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVQZ.e2d31834-f73d-46a0-ba41-fa67b298611c.chk.
+2024-12-09 15:28:45,271 - INFO - assuming li_f_cc-pVQZ.e2d31834-f73d-46a0-ba41-fa67b298611c.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,271 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
+2024-12-09 15:28:45,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,272 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,272 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,272 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
+2024-12-09 15:28:45,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
+2024-12-09 15:28:45,272 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
+2024-12-09 15:28:45,287 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,287 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,287 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
+2024-12-09 15:28:45,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
+2024-12-09 15:28:45,287 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,287 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
+2024-12-09 15:28:45,287 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
+2024-12-09 15:28:45,287 - INFO - problem_instance short name: h2_c_o_0
+2024-12-09 15:28:45,287 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,287 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
+2024-12-09 15:28:45,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,289 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,289 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,289 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
+2024-12-09 15:28:45,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
+2024-12-09 15:28:45,289 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
+2024-12-09 15:28:45,302 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,303 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,303 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
+2024-12-09 15:28:45,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
+2024-12-09 15:28:45,303 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,303 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
+2024-12-09 15:28:45,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,304 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,304 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,304 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
+2024-12-09 15:28:45,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
+2024-12-09 15:28:45,304 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
+2024-12-09 15:28:45,318 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,318 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,318 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
+2024-12-09 15:28:45,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
+2024-12-09 15:28:45,318 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,318 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
+2024-12-09 15:28:45,319 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
+2024-12-09 15:28:45,319 - INFO - problem_instance short name: planted_solution_0011
+2024-12-09 15:28:45,319 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,319 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
+2024-12-09 15:28:45,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,320 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,320 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,320 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
+2024-12-09 15:28:45,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
+2024-12-09 15:28:45,320 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
+2024-12-09 15:28:45,334 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,335 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,335 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
+2024-12-09 15:28:45,335 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
+2024-12-09 15:28:45,335 - INFO - problem_instance short name: Mn_0
+2024-12-09 15:28:45,335 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,335 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
+2024-12-09 15:28:45,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,337 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,337 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,337 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
+2024-12-09 15:28:45,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
+2024-12-09 15:28:45,337 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
+2024-12-09 15:28:45,351 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,351 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,351 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
+2024-12-09 15:28:45,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
+2024-12-09 15:28:45,351 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,351 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
+2024-12-09 15:28:45,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,353 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,353 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,353 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
+2024-12-09 15:28:45,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
+2024-12-09 15:28:45,353 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
+2024-12-09 15:28:45,367 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,367 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,367 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
+2024-12-09 15:28:45,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
+2024-12-09 15:28:45,367 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,367 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
+2024-12-09 15:28:45,368 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
+2024-12-09 15:28:45,368 - INFO - problem_instance short name: planted_solution_0008
+2024-12-09 15:28:45,368 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,368 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
+2024-12-09 15:28:45,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,369 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,369 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,369 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
+2024-12-09 15:28:45,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
+2024-12-09 15:28:45,369 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
+2024-12-09 15:28:45,383 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,383 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,383 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
+2024-12-09 15:28:45,383 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
+2024-12-09 15:28:45,384 - INFO - problem_instance short name: mo_n2
+2024-12-09 15:28:45,384 - INFO - contains 4 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,384 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
+2024-12-09 15:28:45,384 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,384 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,384 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,386 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,386 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,386 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
+2024-12-09 15:28:45,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
+2024-12-09 15:28:45,386 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
+2024-12-09 15:28:45,400 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,400 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,400 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
+2024-12-09 15:28:45,400 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,401 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,401 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,402 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,403 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,403 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
+2024-12-09 15:28:45,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
+2024-12-09 15:28:45,403 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
+2024-12-09 15:28:45,417 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,417 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,417 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
+2024-12-09 15:28:45,417 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,417 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,417 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,419 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,419 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,419 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
+2024-12-09 15:28:45,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
+2024-12-09 15:28:45,419 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
+2024-12-09 15:28:45,434 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,434 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,434 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
+2024-12-09 15:28:45,434 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,434 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,434 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,436 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,436 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,436 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
+2024-12-09 15:28:45,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
+2024-12-09 15:28:45,436 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
+2024-12-09 15:28:45,450 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,451 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,451 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
+2024-12-09 15:28:45,451 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
+2024-12-09 15:28:45,451 - INFO - problem_instance short name: li_h_0
+2024-12-09 15:28:45,451 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,451 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
+2024-12-09 15:28:45,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,453 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,453 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,453 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
+2024-12-09 15:28:45,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
+2024-12-09 15:28:45,453 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
+2024-12-09 15:28:45,467 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,467 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,467 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
+2024-12-09 15:28:45,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
+2024-12-09 15:28:45,468 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,468 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
+2024-12-09 15:28:45,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,469 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,469 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,469 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
+2024-12-09 15:28:45,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
+2024-12-09 15:28:45,469 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
+2024-12-09 15:28:45,483 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,484 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,484 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
+2024-12-09 15:28:45,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
+2024-12-09 15:28:45,484 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,484 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
+2024-12-09 15:28:45,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,485 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,485 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,485 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
+2024-12-09 15:28:45,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
+2024-12-09 15:28:45,485 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
+2024-12-09 15:28:45,499 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,500 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,500 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
+2024-12-09 15:28:45,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
+2024-12-09 15:28:45,500 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,500 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
+2024-12-09 15:28:45,500 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
+2024-12-09 15:28:45,500 - INFO - problem_instance short name: li2_0
+2024-12-09 15:28:45,500 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,500 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
+2024-12-09 15:28:45,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,501 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,501 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,502 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
+2024-12-09 15:28:45,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
+2024-12-09 15:28:45,502 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
+2024-12-09 15:28:45,515 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,516 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,516 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
+2024-12-09 15:28:45,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
+2024-12-09 15:28:45,516 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,516 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
+2024-12-09 15:28:45,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,517 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,517 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,517 - INFO - supporting data file UUID: 6224abe8-831e-4b52-b8d9-8ebac0a35c2b.
+2024-12-09 15:28:45,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz.
+2024-12-09 15:28:45,517 - INFO - assuming fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz is an FCIDUMP file.
+2024-12-09 15:28:45,531 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,532 - INFO - instance_data_object_uuid 6224abe8-831e-4b52-b8d9-8ebac0a35c2b is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,532 - INFO - supporting data file UUID: 2c2461b8-9343-4405-a3d5-aadd0a6cdac9.
+2024-12-09 15:28:45,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk.
+2024-12-09 15:28:45,532 - INFO - assuming li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,532 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
+2024-12-09 15:28:45,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,533 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,533 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,533 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
+2024-12-09 15:28:45,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
+2024-12-09 15:28:45,533 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
+2024-12-09 15:28:45,547 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,547 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,547 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
+2024-12-09 15:28:45,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
+2024-12-09 15:28:45,548 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,548 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
+2024-12-09 15:28:45,548 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
+2024-12-09 15:28:45,548 - INFO - problem_instance short name: h_f_0
+2024-12-09 15:28:45,548 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,548 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
+2024-12-09 15:28:45,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,550 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,550 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,550 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
+2024-12-09 15:28:45,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
+2024-12-09 15:28:45,550 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
+2024-12-09 15:28:45,564 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,564 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,565 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
+2024-12-09 15:28:45,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
+2024-12-09 15:28:45,565 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,565 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
+2024-12-09 15:28:45,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,566 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,566 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,566 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
+2024-12-09 15:28:45,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
+2024-12-09 15:28:45,566 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
+2024-12-09 15:28:45,581 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,581 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,581 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
+2024-12-09 15:28:45,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
+2024-12-09 15:28:45,581 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,581 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
+2024-12-09 15:28:45,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,582 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,582 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,583 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
+2024-12-09 15:28:45,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
+2024-12-09 15:28:45,583 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
+2024-12-09 15:28:45,596 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,597 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,597 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
+2024-12-09 15:28:45,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
+2024-12-09 15:28:45,597 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,597 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
+2024-12-09 15:28:45,597 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
+2024-12-09 15:28:45,597 - INFO - problem_instance short name: Fe_0
+2024-12-09 15:28:45,597 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,597 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
+2024-12-09 15:28:45,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,599 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,599 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,599 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
+2024-12-09 15:28:45,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
+2024-12-09 15:28:45,599 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
+2024-12-09 15:28:45,613 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,614 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,614 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
+2024-12-09 15:28:45,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
+2024-12-09 15:28:45,614 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,614 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
+2024-12-09 15:28:45,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,615 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,615 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,615 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
+2024-12-09 15:28:45,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
+2024-12-09 15:28:45,615 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
+2024-12-09 15:28:45,630 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,630 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,630 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
+2024-12-09 15:28:45,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
+2024-12-09 15:28:45,630 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,630 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
+2024-12-09 15:28:45,630 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
+2024-12-09 15:28:45,630 - INFO - problem_instance short name: planted_solution_0010
+2024-12-09 15:28:45,630 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,630 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
+2024-12-09 15:28:45,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,632 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,632 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,632 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
+2024-12-09 15:28:45,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
+2024-12-09 15:28:45,632 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
+2024-12-09 15:28:45,647 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,647 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,647 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
+2024-12-09 15:28:45,647 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
+2024-12-09 15:28:45,647 - INFO - problem_instance short name: ru_macho
+2024-12-09 15:28:45,647 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,647 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
+2024-12-09 15:28:45,648 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,648 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,648 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,650 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,650 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,650 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
+2024-12-09 15:28:45,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
+2024-12-09 15:28:45,650 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
+2024-12-09 15:28:45,664 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,665 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,665 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
+2024-12-09 15:28:45,665 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,665 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,665 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,667 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,667 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,667 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
+2024-12-09 15:28:45,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
+2024-12-09 15:28:45,667 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
+2024-12-09 15:28:45,682 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,682 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,682 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
+2024-12-09 15:28:45,683 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,683 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,683 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,684 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,685 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,685 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
+2024-12-09 15:28:45,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
+2024-12-09 15:28:45,685 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
+2024-12-09 15:28:45,699 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,699 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,699 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
+2024-12-09 15:28:45,699 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,700 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,700 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,702 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,702 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,702 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
+2024-12-09 15:28:45,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
+2024-12-09 15:28:45,702 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
+2024-12-09 15:28:45,717 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,717 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,717 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
+2024-12-09 15:28:45,717 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,717 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,717 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,719 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,719 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,719 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
+2024-12-09 15:28:45,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
+2024-12-09 15:28:45,719 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
+2024-12-09 15:28:45,733 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,733 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,734 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
+2024-12-09 15:28:45,734 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,734 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,734 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,735 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,736 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,736 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
+2024-12-09 15:28:45,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
+2024-12-09 15:28:45,736 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
+2024-12-09 15:28:45,751 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,751 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,751 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
+2024-12-09 15:28:45,751 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,751 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,751 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,753 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,753 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,753 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
+2024-12-09 15:28:45,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
+2024-12-09 15:28:45,753 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
+2024-12-09 15:28:45,768 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,768 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,768 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
+2024-12-09 15:28:45,768 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,768 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,768 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,770 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,770 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,770 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
+2024-12-09 15:28:45,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
+2024-12-09 15:28:45,770 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
+2024-12-09 15:28:45,784 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,784 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,785 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
+2024-12-09 15:28:45,785 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,785 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,785 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,787 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,787 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,787 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
+2024-12-09 15:28:45,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
+2024-12-09 15:28:45,787 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
+2024-12-09 15:28:45,801 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,801 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,802 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
+2024-12-09 15:28:45,802 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
+2024-12-09 15:28:45,802 - INFO - problem_instance short name: Cu_1
+2024-12-09 15:28:45,802 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,802 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
+2024-12-09 15:28:45,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,803 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,803 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,803 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
+2024-12-09 15:28:45,803 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
+2024-12-09 15:28:45,804 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
+2024-12-09 15:28:45,818 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,818 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,818 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
+2024-12-09 15:28:45,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
+2024-12-09 15:28:45,818 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,818 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
+2024-12-09 15:28:45,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,820 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,820 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,820 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
+2024-12-09 15:28:45,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
+2024-12-09 15:28:45,820 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
+2024-12-09 15:28:45,834 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,835 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,835 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
+2024-12-09 15:28:45,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
+2024-12-09 15:28:45,835 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,835 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
+2024-12-09 15:28:45,835 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
+2024-12-09 15:28:45,835 - INFO - problem_instance short name: n_h3_0
+2024-12-09 15:28:45,835 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,835 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
+2024-12-09 15:28:45,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,836 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,836 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,836 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
+2024-12-09 15:28:45,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
+2024-12-09 15:28:45,837 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
+2024-12-09 15:28:45,850 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,851 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,851 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
+2024-12-09 15:28:45,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
+2024-12-09 15:28:45,851 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,851 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
+2024-12-09 15:28:45,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,852 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,852 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,852 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
+2024-12-09 15:28:45,852 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
+2024-12-09 15:28:45,852 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
+2024-12-09 15:28:45,866 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,867 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,867 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
+2024-12-09 15:28:45,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
+2024-12-09 15:28:45,867 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,867 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
+2024-12-09 15:28:45,867 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
+2024-12-09 15:28:45,867 - INFO - problem_instance short name: planted_solution_0006
+2024-12-09 15:28:45,867 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,867 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
+2024-12-09 15:28:45,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,868 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,868 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,868 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
+2024-12-09 15:28:45,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
+2024-12-09 15:28:45,868 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
+2024-12-09 15:28:45,883 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,883 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,883 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
+2024-12-09 15:28:45,883 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
+2024-12-09 15:28:45,883 - INFO - problem_instance short name: n2_h4_0
+2024-12-09 15:28:45,883 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,884 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
+2024-12-09 15:28:45,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,885 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,885 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,885 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
+2024-12-09 15:28:45,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
+2024-12-09 15:28:45,885 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
+2024-12-09 15:28:45,899 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,900 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,900 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
+2024-12-09 15:28:45,900 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
+2024-12-09 15:28:45,900 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,900 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
+2024-12-09 15:28:45,900 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
+2024-12-09 15:28:45,900 - INFO - problem_instance short name: c2_h4_0
+2024-12-09 15:28:45,900 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,900 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
+2024-12-09 15:28:45,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,902 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,902 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,902 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
+2024-12-09 15:28:45,902 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
+2024-12-09 15:28:45,902 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
+2024-12-09 15:28:45,916 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,916 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,916 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
+2024-12-09 15:28:45,916 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
+2024-12-09 15:28:45,917 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,917 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
+2024-12-09 15:28:45,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,918 - INFO - number of orbitals:  116
+2024-12-09 15:28:45,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
+2024-12-09 15:28:45,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
+2024-12-09 15:28:45,918 - INFO - moving on ...
+2024-12-09 15:28:45,918 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
+2024-12-09 15:28:45,918 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
+2024-12-09 15:28:45,918 - INFO - problem_instance short name: O_1
+2024-12-09 15:28:45,918 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,918 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
+2024-12-09 15:28:45,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,920 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,920 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,920 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
+2024-12-09 15:28:45,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
+2024-12-09 15:28:45,920 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
+2024-12-09 15:28:45,934 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,934 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,934 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
+2024-12-09 15:28:45,935 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
+2024-12-09 15:28:45,935 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,935 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
+2024-12-09 15:28:45,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,936 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,936 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,936 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
+2024-12-09 15:28:45,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
+2024-12-09 15:28:45,936 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
+2024-12-09 15:28:45,950 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,951 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,951 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
+2024-12-09 15:28:45,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
+2024-12-09 15:28:45,951 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,951 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
+2024-12-09 15:28:45,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,952 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,952 - INFO - number of supporting files: 2
+2024-12-09 15:28:45,952 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
+2024-12-09 15:28:45,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
+2024-12-09 15:28:45,953 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
+2024-12-09 15:28:45,967 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,967 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,967 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
+2024-12-09 15:28:45,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
+2024-12-09 15:28:45,967 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:45,967 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
+2024-12-09 15:28:45,968 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
+2024-12-09 15:28:45,968 - INFO - problem_instance short name: cr_dimer
+2024-12-09 15:28:45,968 - INFO - contains 12 associated tasks (Hamiltonians).
+2024-12-09 15:28:45,968 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
+2024-12-09 15:28:45,968 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,968 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,968 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,970 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,970 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,970 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
+2024-12-09 15:28:45,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
+2024-12-09 15:28:45,970 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
+2024-12-09 15:28:45,984 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:45,985 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
+2024-12-09 15:28:45,985 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
+2024-12-09 15:28:45,985 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:45,985 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:45,985 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:45,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:45,987 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:45,987 - INFO - number of supporting files: 1
+2024-12-09 15:28:45,987 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
+2024-12-09 15:28:45,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
+2024-12-09 15:28:45,987 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
+2024-12-09 15:28:46,000 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,001 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,001 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
+2024-12-09 15:28:46,001 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,001 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,001 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,003 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,003 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,003 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
+2024-12-09 15:28:46,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
+2024-12-09 15:28:46,003 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
+2024-12-09 15:28:46,017 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,017 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,017 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
+2024-12-09 15:28:46,017 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,017 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,017 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,019 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,019 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,019 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
+2024-12-09 15:28:46,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
+2024-12-09 15:28:46,019 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
+2024-12-09 15:28:46,033 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,034 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,034 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
+2024-12-09 15:28:46,034 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,034 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,034 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,036 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,036 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,036 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
+2024-12-09 15:28:46,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
+2024-12-09 15:28:46,036 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
+2024-12-09 15:28:46,049 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,050 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,050 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
+2024-12-09 15:28:46,050 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,050 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,050 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,052 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,052 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,052 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
+2024-12-09 15:28:46,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
+2024-12-09 15:28:46,052 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
+2024-12-09 15:28:46,066 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,066 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,066 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
+2024-12-09 15:28:46,067 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,067 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,067 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,068 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,069 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,069 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
+2024-12-09 15:28:46,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
+2024-12-09 15:28:46,069 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
+2024-12-09 15:28:46,083 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,083 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,083 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
+2024-12-09 15:28:46,083 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,083 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,083 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,085 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,085 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,085 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
+2024-12-09 15:28:46,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
+2024-12-09 15:28:46,086 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
+2024-12-09 15:28:46,100 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,100 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,101 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
+2024-12-09 15:28:46,101 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,101 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,101 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,103 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,103 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,103 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
+2024-12-09 15:28:46,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
+2024-12-09 15:28:46,103 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
+2024-12-09 15:28:46,117 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,118 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,118 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
+2024-12-09 15:28:46,118 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,118 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,118 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,120 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,120 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,120 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
+2024-12-09 15:28:46,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
+2024-12-09 15:28:46,120 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
+2024-12-09 15:28:46,136 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,136 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,136 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
+2024-12-09 15:28:46,136 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,136 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,136 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,139 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,139 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,139 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
+2024-12-09 15:28:46,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
+2024-12-09 15:28:46,139 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
+2024-12-09 15:28:46,154 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,155 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,155 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
+2024-12-09 15:28:46,155 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-09 15:28:46,155 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-09 15:28:46,155 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-09 15:28:46,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,157 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,157 - INFO - number of supporting files: 1
+2024-12-09 15:28:46,157 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
+2024-12-09 15:28:46,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
+2024-12-09 15:28:46,157 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
+2024-12-09 15:28:46,172 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,173 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,173 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
+2024-12-09 15:28:46,173 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
+2024-12-09 15:28:46,173 - INFO - problem_instance short name: be_0
+2024-12-09 15:28:46,173 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:46,173 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
+2024-12-09 15:28:46,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,174 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,174 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,174 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
+2024-12-09 15:28:46,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
+2024-12-09 15:28:46,174 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
+2024-12-09 15:28:46,188 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,189 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,189 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
+2024-12-09 15:28:46,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
+2024-12-09 15:28:46,189 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:46,189 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
+2024-12-09 15:28:46,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,190 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,190 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,190 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
+2024-12-09 15:28:46,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
+2024-12-09 15:28:46,191 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
+2024-12-09 15:28:46,205 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,205 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,205 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
+2024-12-09 15:28:46,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
+2024-12-09 15:28:46,205 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:46,206 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
+2024-12-09 15:28:46,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,207 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,207 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,207 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
+2024-12-09 15:28:46,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
+2024-12-09 15:28:46,207 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
+2024-12-09 15:28:46,222 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,222 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,222 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
+2024-12-09 15:28:46,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
+2024-12-09 15:28:46,222 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:46,222 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
+2024-12-09 15:28:46,222 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
+2024-12-09 15:28:46,223 - INFO - problem_instance short name: f2_0
+2024-12-09 15:28:46,223 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 15:28:46,223 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
+2024-12-09 15:28:46,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,224 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,224 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,224 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
+2024-12-09 15:28:46,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
+2024-12-09 15:28:46,224 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
+2024-12-09 15:28:46,240 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,240 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
+2024-12-09 15:28:46,240 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
+2024-12-09 15:28:46,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
+2024-12-09 15:28:46,240 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 15:28:46,240 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
+2024-12-09 15:28:46,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 15:28:46,242 - INFO - attempting to process the Hamiltonian...
+2024-12-09 15:28:46,242 - INFO - number of supporting files: 2
+2024-12-09 15:28:46,242 - INFO - supporting data file UUID: 29d645f8-ce30-4e18-9f41-644ac5f9d922.
+2024-12-09 15:28:46,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz.
+2024-12-09 15:28:46,242 - INFO - assuming fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz is an FCIDUMP file.
+2024-12-09 15:28:46,257 - INFO - number of entries in Hamiltonian_features.csv:  212
+2024-12-09 15:28:46,257 - INFO - did NOT find instance_data_object_uuid 29d645f8-ce30-4e18-9f41-644ac5f9d922 in database.
+2024-12-09 15:28:46,257 - INFO - Processing instance_data_object_uuid 29d645f8-ce30-4e18-9f41-644ac5f9d922 ...
+2024-12-09 15:28:46,257 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz...
+2024-12-09 15:28:46,303 - INFO - Connected (version 2.0, client 0)
+2024-12-09 15:28:46,813 - INFO - Authentication (publickey) successful!
+2024-12-09 15:28:46,829 - INFO - [chan 0] Opened sftp connection (server version 3)
+2024-12-09 15:30:58,490 - INFO - [chan 0] sftp session closed.
+2024-12-09 15:30:58,491 - INFO - File fetched successfully from sftp.l3harris.com
+2024-12-09 15:30:58,491 - INFO - decompressing file fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz...
+2024-12-09 15:31:04,298 - INFO - this script has been running for 5.03 hours.
+2024-12-09 15:31:04,298 - INFO - ===============================================
+2024-12-09 15:31:04,298 - INFO - calculating Hamiltonian features...
+2024-12-09 15:31:04,298 - INFO - reading data from fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922
+2024-12-09 15:31:45,875 - INFO - finished reading FCIDUMP data.
+2024-12-09 15:31:45,875 - INFO - data['NORB']: 110
+2024-12-09 15:31:45,875 - INFO - len(data['H1']): 110
+2024-12-09 15:31:45,875 - INFO - ao2mo.restore...
+2024-12-09 15:31:46,511 - INFO - done.
+2024-12-09 15:31:46,511 - INFO - QuarticDirac(eri_4d, h1, norb)...
+2024-12-09 15:31:46,511 - INFO - done.
+2024-12-09 15:31:46,511 - INFO - majorana_operator_from_quartic(quartic_fermion)...
+2024-12-09 19:58:27,806 - INFO - done.
+2024-12-09 19:58:27,806 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
+2024-12-09 20:13:47,646 - INFO - done.
+2024-12-09 20:13:47,646 - INFO - compute_hypergraph_ham_features(pauli_data)...
+2024-12-09 20:15:48,896 - INFO - done.
+2024-12-09 20:15:48,896 - INFO - double_factorization_from_quartic(quartic_fermion)...
+2024-12-09 20:16:49,476 - INFO - done.
+2024-12-09 20:16:49,476 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
+2024-12-09 20:16:49,477 - INFO - done.
+2024-12-09 20:16:49,477 - INFO - Compute FCI determinant dimension using binomial coefficients...
+2024-12-09 20:16:49,477 - INFO - done.
+2024-12-09 20:16:59,015 - INFO - Hamiltonian features calculation run time (seconds): 17154.716681
+2024-12-09 20:16:59,015 - INFO - wrote df_eigs to file: df_eigs.29d645f8-ce30-4e18-9f41-644ac5f9d922.bin
+2024-12-09 20:16:59,015 - INFO - deleting file fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.
+2024-12-09 20:16:59,115 - INFO - appending data to file Hamiltonian_features.csv
+2024-12-09 20:16:59,118 - INFO - this script has been running for 9.80 hours.
+2024-12-09 20:16:59,118 - INFO - supporting data file UUID: 5c169867-7d8c-44d8-8b34-4ecc34cd9649.
+2024-12-09 20:16:59,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVQZ.5c169867-7d8c-44d8-8b34-4ecc34cd9649.chk.
+2024-12-09 20:16:59,118 - INFO - assuming f2_cc-pVQZ.5c169867-7d8c-44d8-8b34-4ecc34cd9649.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 20:16:59,118 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
+2024-12-09 20:16:59,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 20:16:59,119 - INFO - attempting to process the Hamiltonian...
+2024-12-09 20:16:59,119 - INFO - number of supporting files: 2
+2024-12-09 20:16:59,119 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
+2024-12-09 20:16:59,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
+2024-12-09 20:16:59,119 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
+2024-12-09 20:16:59,134 - INFO - number of entries in Hamiltonian_features.csv:  213
+2024-12-09 20:16:59,134 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
+2024-12-09 20:16:59,134 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
+2024-12-09 20:16:59,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
+2024-12-09 20:16:59,134 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 20:16:59,134 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
+2024-12-09 20:16:59,134 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
+2024-12-09 20:16:59,134 - INFO - problem_instance short name: n2_0
+2024-12-09 20:16:59,134 - INFO - contains 3 associated tasks (Hamiltonians).
+2024-12-09 20:16:59,134 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
+2024-12-09 20:16:59,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 20:16:59,136 - INFO - attempting to process the Hamiltonian...
+2024-12-09 20:16:59,136 - INFO - number of supporting files: 2
+2024-12-09 20:16:59,136 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
+2024-12-09 20:16:59,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
+2024-12-09 20:16:59,136 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
+2024-12-09 20:16:59,149 - INFO - number of entries in Hamiltonian_features.csv:  213
+2024-12-09 20:16:59,150 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
+2024-12-09 20:16:59,150 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
+2024-12-09 20:16:59,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
+2024-12-09 20:16:59,150 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-09 20:16:59,150 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
+2024-12-09 20:16:59,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-09 20:16:59,151 - INFO - attempting to process the Hamiltonian...
+2024-12-09 20:16:59,151 - INFO - number of supporting files: 2
+2024-12-09 20:16:59,151 - INFO - supporting data file UUID: e84ef191-bfe0-4859-96b9-0613cad743d4.
+2024-12-09 20:16:59,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz.
+2024-12-09 20:16:59,151 - INFO - assuming fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz is an FCIDUMP file.
+2024-12-09 20:16:59,165 - INFO - number of entries in Hamiltonian_features.csv:  213
+2024-12-09 20:16:59,165 - INFO - did NOT find instance_data_object_uuid e84ef191-bfe0-4859-96b9-0613cad743d4 in database.
+2024-12-09 20:16:59,165 - INFO - Processing instance_data_object_uuid e84ef191-bfe0-4859-96b9-0613cad743d4 ...
+2024-12-09 20:16:59,165 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz...
+2024-12-09 20:16:59,210 - INFO - Connected (version 2.0, client 0)
+2024-12-09 20:16:59,709 - INFO - Authentication (publickey) successful!
+2024-12-09 20:16:59,731 - INFO - [chan 0] Opened sftp connection (server version 3)
+2024-12-09 20:18:48,259 - INFO - [chan 0] sftp session closed.
+2024-12-09 20:18:48,259 - INFO - File fetched successfully from sftp.l3harris.com
+2024-12-09 20:18:48,259 - INFO - decompressing file fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz...
+2024-12-09 20:18:54,208 - INFO - this script has been running for 9.83 hours.
+2024-12-09 20:18:54,208 - INFO - ===============================================
+2024-12-09 20:18:54,208 - INFO - calculating Hamiltonian features...
+2024-12-09 20:18:54,208 - INFO - reading data from fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4
+2024-12-09 20:19:34,591 - INFO - finished reading FCIDUMP data.
+2024-12-09 20:19:34,592 - INFO - data['NORB']: 110
+2024-12-09 20:19:34,592 - INFO - len(data['H1']): 110
+2024-12-09 20:19:34,592 - INFO - ao2mo.restore...
+2024-12-09 20:19:35,186 - INFO - done.
+2024-12-09 20:19:35,187 - INFO - QuarticDirac(eri_4d, h1, norb)...
+2024-12-09 20:19:35,187 - INFO - done.
+2024-12-09 20:19:35,187 - INFO - majorana_operator_from_quartic(quartic_fermion)...
+2024-12-10 00:18:22,719 - INFO - done.
+2024-12-10 00:18:22,720 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
+2024-12-10 00:33:12,192 - INFO - done.
+2024-12-10 00:33:12,192 - INFO - compute_hypergraph_ham_features(pauli_data)...
+2024-12-10 00:35:19,754 - INFO - done.
+2024-12-10 00:35:19,754 - INFO - double_factorization_from_quartic(quartic_fermion)...
+2024-12-10 00:36:29,535 - INFO - done.
+2024-12-10 00:36:29,535 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
+2024-12-10 00:36:29,536 - INFO - done.
+2024-12-10 00:36:29,536 - INFO - Compute FCI determinant dimension using binomial coefficients...
+2024-12-10 00:36:29,536 - INFO - done.
+2024-12-10 00:36:39,218 - INFO - Hamiltonian features calculation run time (seconds): 15465.010171
+2024-12-10 00:36:39,219 - INFO - wrote df_eigs to file: df_eigs.e84ef191-bfe0-4859-96b9-0613cad743d4.bin
+2024-12-10 00:36:39,219 - INFO - deleting file fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.
+2024-12-10 00:36:39,327 - INFO - appending data to file Hamiltonian_features.csv
+2024-12-10 00:36:39,329 - INFO - this script has been running for 14.12 hours.
+2024-12-10 00:36:39,329 - INFO - supporting data file UUID: bb706eb0-f001-4938-8b70-b9f742942f45.
+2024-12-10 00:36:39,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVQZ.bb706eb0-f001-4938-8b70-b9f742942f45.chk.
+2024-12-10 00:36:39,330 - INFO - assuming n2_cc-pVQZ.bb706eb0-f001-4938-8b70-b9f742942f45.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,330 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
+2024-12-10 00:36:39,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,331 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,331 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,331 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
+2024-12-10 00:36:39,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
+2024-12-10 00:36:39,332 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
+2024-12-10 00:36:39,348 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,348 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,348 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
+2024-12-10 00:36:39,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
+2024-12-10 00:36:39,348 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,348 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
+2024-12-10 00:36:39,349 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
+2024-12-10 00:36:39,349 - INFO - problem_instance short name: fe_red
+2024-12-10 00:36:39,349 - INFO - contains 9 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,349 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
+2024-12-10 00:36:39,349 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,349 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,349 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,351 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,351 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,351 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
+2024-12-10 00:36:39,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
+2024-12-10 00:36:39,351 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
+2024-12-10 00:36:39,366 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,367 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,367 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
+2024-12-10 00:36:39,367 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,367 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,367 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,369 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,369 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,369 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
+2024-12-10 00:36:39,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
+2024-12-10 00:36:39,369 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
+2024-12-10 00:36:39,385 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,385 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,385 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
+2024-12-10 00:36:39,385 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,386 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,386 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,388 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,388 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,388 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
+2024-12-10 00:36:39,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
+2024-12-10 00:36:39,388 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
+2024-12-10 00:36:39,403 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,403 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,403 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
+2024-12-10 00:36:39,403 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,403 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,403 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,405 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,405 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,406 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
+2024-12-10 00:36:39,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
+2024-12-10 00:36:39,406 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
+2024-12-10 00:36:39,423 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,423 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,423 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
+2024-12-10 00:36:39,423 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,423 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,423 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,426 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,426 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,426 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
+2024-12-10 00:36:39,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
+2024-12-10 00:36:39,426 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
+2024-12-10 00:36:39,445 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,446 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,446 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
+2024-12-10 00:36:39,446 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,446 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,446 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,449 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,449 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,449 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
+2024-12-10 00:36:39,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
+2024-12-10 00:36:39,449 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
+2024-12-10 00:36:39,469 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,469 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,469 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
+2024-12-10 00:36:39,469 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,470 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,470 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,473 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,473 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,473 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
+2024-12-10 00:36:39,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
+2024-12-10 00:36:39,473 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
+2024-12-10 00:36:39,494 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,495 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,495 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
+2024-12-10 00:36:39,495 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,495 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,495 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,498 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,498 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,498 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
+2024-12-10 00:36:39,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
+2024-12-10 00:36:39,499 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
+2024-12-10 00:36:39,519 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,520 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,520 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
+2024-12-10 00:36:39,520 - ERROR - Error: 'num_orbitals'
+Traceback (most recent call last):
+  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
+    num_orbitals = task["features"]["num_orbitals"]
+KeyError: 'num_orbitals'
+2024-12-10 00:36:39,520 - INFO - problem instance does not explicitly state the number of orbitals.
+2024-12-10 00:36:39,520 - INFO - checking the num_orbitals_cheat_sheet...
+2024-12-10 00:36:39,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,523 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,523 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,524 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
+2024-12-10 00:36:39,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
+2024-12-10 00:36:39,524 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
+2024-12-10 00:36:39,545 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,545 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,546 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
+2024-12-10 00:36:39,546 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
+2024-12-10 00:36:39,546 - INFO - problem_instance short name: Fe_1
+2024-12-10 00:36:39,546 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,546 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
+2024-12-10 00:36:39,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,549 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,549 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,549 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
+2024-12-10 00:36:39,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
+2024-12-10 00:36:39,549 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
+2024-12-10 00:36:39,570 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,570 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,571 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
+2024-12-10 00:36:39,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
+2024-12-10 00:36:39,571 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,571 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
+2024-12-10 00:36:39,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,573 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,573 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,573 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
+2024-12-10 00:36:39,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
+2024-12-10 00:36:39,573 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
+2024-12-10 00:36:39,594 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,594 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,594 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
+2024-12-10 00:36:39,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
+2024-12-10 00:36:39,595 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,595 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
+2024-12-10 00:36:39,595 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
+2024-12-10 00:36:39,595 - INFO - problem_instance short name: ScO_0
+2024-12-10 00:36:39,595 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,595 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
+2024-12-10 00:36:39,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,597 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,597 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,597 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
+2024-12-10 00:36:39,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
+2024-12-10 00:36:39,597 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
+2024-12-10 00:36:39,616 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,617 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,617 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
+2024-12-10 00:36:39,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
+2024-12-10 00:36:39,617 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,617 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
+2024-12-10 00:36:39,618 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
+2024-12-10 00:36:39,618 - INFO - problem_instance short name: planted_solution_0003
+2024-12-10 00:36:39,618 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,618 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
+2024-12-10 00:36:39,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,620 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,620 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,620 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
+2024-12-10 00:36:39,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
+2024-12-10 00:36:39,620 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
+2024-12-10 00:36:39,637 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,637 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,637 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
+2024-12-10 00:36:39,637 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
+2024-12-10 00:36:39,638 - INFO - problem_instance short name: h_c_n_0
+2024-12-10 00:36:39,638 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,638 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
+2024-12-10 00:36:39,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,639 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,639 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,639 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
+2024-12-10 00:36:39,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
+2024-12-10 00:36:39,639 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
+2024-12-10 00:36:39,654 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,654 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,654 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
+2024-12-10 00:36:39,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
+2024-12-10 00:36:39,655 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,655 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
+2024-12-10 00:36:39,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,656 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,656 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,656 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
+2024-12-10 00:36:39,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
+2024-12-10 00:36:39,656 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
+2024-12-10 00:36:39,671 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,672 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,672 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
+2024-12-10 00:36:39,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
+2024-12-10 00:36:39,672 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,672 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
+2024-12-10 00:36:39,672 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
+2024-12-10 00:36:39,672 - INFO - problem_instance short name: si_h4_0
+2024-12-10 00:36:39,673 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,673 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
+2024-12-10 00:36:39,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,675 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,675 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,675 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
+2024-12-10 00:36:39,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
+2024-12-10 00:36:39,675 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
+2024-12-10 00:36:39,691 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,692 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,692 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
+2024-12-10 00:36:39,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
+2024-12-10 00:36:39,692 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,692 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
+2024-12-10 00:36:39,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,694 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,694 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,694 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
+2024-12-10 00:36:39,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
+2024-12-10 00:36:39,694 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
+2024-12-10 00:36:39,710 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,710 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,711 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
+2024-12-10 00:36:39,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
+2024-12-10 00:36:39,711 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,711 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
+2024-12-10 00:36:39,711 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
+2024-12-10 00:36:39,711 - INFO - problem_instance short name: planted_solution_0009
+2024-12-10 00:36:39,711 - INFO - contains 1 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,711 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
+2024-12-10 00:36:39,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,713 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,713 - INFO - number of supporting files: 1
+2024-12-10 00:36:39,713 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
+2024-12-10 00:36:39,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
+2024-12-10 00:36:39,713 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
+2024-12-10 00:36:39,730 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,731 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,731 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
+2024-12-10 00:36:39,731 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
+2024-12-10 00:36:39,731 - INFO - problem_instance short name: Mn_1
+2024-12-10 00:36:39,731 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,731 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
+2024-12-10 00:36:39,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,733 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,733 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,734 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
+2024-12-10 00:36:39,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
+2024-12-10 00:36:39,734 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
+2024-12-10 00:36:39,754 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,754 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,755 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
+2024-12-10 00:36:39,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
+2024-12-10 00:36:39,755 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,755 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
+2024-12-10 00:36:39,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,757 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,757 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,757 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
+2024-12-10 00:36:39,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
+2024-12-10 00:36:39,757 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
+2024-12-10 00:36:39,778 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,778 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,778 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
+2024-12-10 00:36:39,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
+2024-12-10 00:36:39,779 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,779 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
+2024-12-10 00:36:39,779 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
+2024-12-10 00:36:39,779 - INFO - problem_instance short name: c_h3_cl_0
+2024-12-10 00:36:39,779 - INFO - contains 2 associated tasks (Hamiltonians).
+2024-12-10 00:36:39,779 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
+2024-12-10 00:36:39,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,781 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,781 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,781 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
+2024-12-10 00:36:39,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
+2024-12-10 00:36:39,781 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
+2024-12-10 00:36:39,798 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,798 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
+2024-12-10 00:36:39,798 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
+2024-12-10 00:36:39,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
+2024-12-10 00:36:39,798 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
+2024-12-10 00:36:39,798 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
+2024-12-10 00:36:39,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
+2024-12-10 00:36:39,800 - INFO - attempting to process the Hamiltonian...
+2024-12-10 00:36:39,800 - INFO - number of supporting files: 2
+2024-12-10 00:36:39,800 - INFO - supporting data file UUID: a53ae008-4ad2-4736-9a57-cfc011e3aace.
+2024-12-10 00:36:39,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz.
+2024-12-10 00:36:39,800 - INFO - assuming fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz is an FCIDUMP file.
+2024-12-10 00:36:39,815 - INFO - number of entries in Hamiltonian_features.csv:  214
+2024-12-10 00:36:39,816 - INFO - did NOT find instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace in database.
+2024-12-10 00:36:39,816 - INFO - Processing instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace ...
+2024-12-10 00:36:39,816 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
+2024-12-10 00:36:39,861 - INFO - Connected (version 2.0, client 0)
+2024-12-10 00:36:40,382 - INFO - Authentication (publickey) successful!
+2024-12-10 00:36:40,397 - INFO - [chan 0] Opened sftp connection (server version 3)
+2024-12-10 00:43:17,919 - INFO - [chan 0] sftp session closed.
+2024-12-10 00:43:17,920 - INFO - File fetched successfully from sftp.l3harris.com
+2024-12-10 00:43:17,920 - INFO - decompressing file fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
+2024-12-10 00:43:29,322 - INFO - this script has been running for 14.24 hours.
+2024-12-10 00:43:29,322 - INFO - ===============================================
+2024-12-10 00:43:29,322 - INFO - calculating Hamiltonian features...
+2024-12-10 00:43:29,322 - INFO - reading data from fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace
+2024-12-10 00:45:03,550 - INFO - finished reading FCIDUMP data.
+2024-12-10 00:45:03,550 - INFO - data['NORB']: 106
+2024-12-10 00:45:03,550 - INFO - len(data['H1']): 106
+2024-12-10 00:45:03,550 - INFO - ao2mo.restore...
+2024-12-10 00:45:04,172 - INFO - done.
+2024-12-10 00:45:04,172 - INFO - QuarticDirac(eri_4d, h1, norb)...
+2024-12-10 00:45:04,172 - INFO - done.
+2024-12-10 00:45:04,172 - INFO - majorana_operator_from_quartic(quartic_fermion)...

From 5f7842b12b4b4f634c39eab04d63bb8e4e1818c3 Mon Sep 17 00:00:00 2001
From: Alexander Kunitsa <28026247+aakunitsa@users.noreply.github.com>
Date: Thu, 12 Dec 2024 15:06:11 -0500
Subject: [PATCH 16/25] latest overlaps.csv

---
 scripts/overlaps.csv | 36 ++++++++++++++++++++++++++++++++++++
 1 file changed, 36 insertions(+)

diff --git a/scripts/overlaps.csv b/scripts/overlaps.csv
index 7dcb097..4e9c41d 100644
--- a/scripts/overlaps.csv
+++ b/scripts/overlaps.csv
@@ -191,3 +191,39 @@ overlap,task_uuid
 0.8672573920779192,79b74ad4-afa8-458f-87a3-a5ec339056c6
 0.8567759312071886,e3a07092-d1e5-4867-a4d7-d0258f9df6db
 0.860263246977401,138733f0-08f5-4077-b848-813c8ec53c79
+0.7364071864942882,9da97ef6-4bad-4c82-8576-9b8e539a7ba8
+0.6541993298828997,f20db1b1-86e3-4ddf-96ff-a6d37f331935
+0.2520783357431154,742be33c-0982-4b06-b324-1d86242e28d9
+0.17974834882847754,3b49563d-948a-4ecb-84a0-d3c0c2c0d217
+0.5401526124758813,950da653-13ce-4cd7-95d8-5045ab03d4bc
+0.30343997368489567,13821f5c-78a6-485c-9006-a17a234cde9f
+0.2332031700865169,765594e5-44ac-41a2-89a7-f2ac03536379
+0.17934617315306933,858b9683-fc6c-4ebe-8c33-27f0d848f24f
+0.5972924735034343,1a013e9f-7eab-4a1b-b486-1d9e2d99e754
+0.5208772884512375,001a0d11-165a-49c5-a334-643023029f40
+0.3233091679075344,1c9508e3-b9fe-44f1-ae58-c6339ef43f47
+0.34452843122863197,6713517a-ab65-4381-aae1-0839dcd6c1a0
+0.9437549338727222,4970c526-817f-4c04-8d7e-797526d5948d
+0.9196512478991293,d27fb590-4e90-4d5a-bdb8-37fbf22f528b
+0.8825637683494668,a7cd2501-2f67-4fcd-b428-f6620f3596fe
+0.9126435473584733,d3bcc63c-57ad-4346-8290-e36447186440
+0.8803690826784946,41907f9f-923d-49e3-80a9-519962110ae7
+0.8796674278478462,ad9ceeaf-d7be-46b7-95a9-15bfd33f5022
+0.9032906816374818,adecdd92-73c7-416d-90da-b7a3da7ed50b
+0.8857256708475334,03c70feb-49b8-4113-831a-05e3ae55c66b
+0.8800696777838031,0e936335-6370-4587-92f0-02eafaf650ed
+0.989787576332472,4357d5bb-ed2b-466a-947b-e868afb81d3d
+0.981386870357194,b164af91-a758-445c-8e78-610ffd2ad795
+0.9845720986810352,28bd4997-c04c-4914-9984-0101713041fe
+0.9895424245472751,dcf2b441-b297-4a89-ae18-5778ec2d674d
+0.9210307628364097,6346b7fe-a4a5-4b10-a79b-706d4339923e
+0.9506539091252105,68db6781-dd54-43c4-b667-7b754c4d5cdb
+0.8882090620400142,d3ecd428-ee03-4d8b-aa14-af4d935781ed
+0.9716893407042688,89253c8f-0f01-4046-a138-1bada22f0a6a
+0.9074501114922904,842d2152-2f91-4dce-b088-7ed26afb2381
+0.9523172276613195,5509795a-90ce-45d6-b03d-db956a5da5b2
+0.6756053600233426,bc3520b5-bf25-4a43-892c-8d7e9a690fe2
+0.7688007837372337,d937e005-3688-4138-9465-426798087395
+0.6565767115356395,ace55695-1ca9-4153-8fd4-55ed6658cf8c
+0.9941579000067696,dab492c3-27fe-4ac3-8c98-de2563caf66c
+0.9599643611439965,a475af8e-cb0b-4533-906d-a6b8eda313e7

From 287f82a6306a4b6ad8b5b5a6cf5ae93412b3b23c Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Thu, 12 Dec 2024 23:55:31 -0500
Subject: [PATCH 17/25] Fixing heading level

---
 scripts/README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/README.md b/scripts/README.md
index 4a84f95..6538ba8 100644
--- a/scripts/README.md
+++ b/scripts/README.md
@@ -53,7 +53,7 @@ The script will generate logical quantum resource estimates for a subset of Hami
 This script is currently based on the qubitized quantum phase estimation with double factorization algorithm.
 
 
-###  Generating physical quantum resource estimates as `solution.json` files.
+## Generating physical quantum resource estimates as `solution.json` files.
 
 `./compute_all_PREs_script.py`
 

From 95caaf269dc06b0cd6e20e54031f052abb8af98f Mon Sep 17 00:00:00 2001
From: Alexander Kunitsa <28026247+aakunitsa@users.noreply.github.com>
Date: Fri, 13 Dec 2024 10:21:18 -0500
Subject: [PATCH 18/25] repalced csf_weight with an initial version of
 get_overlap

---
 examples/get_overlap.ipynb | 584 +++++++++++++++++++++++++++++++++++++
 1 file changed, 584 insertions(+)
 create mode 100644 examples/get_overlap.ipynb

diff --git a/examples/get_overlap.ipynb b/examples/get_overlap.ipynb
new file mode 100644
index 0000000..e98ab3e
--- /dev/null
+++ b/examples/get_overlap.ipynb
@@ -0,0 +1,584 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import h5py, os, glob, json\n",
+    "from block2 import SU2\n",
+    "from pyblock2.driver.core import DMRGDriver, SymmetryTypes\n",
+    "import pandas as pd\n",
+    "import numpy as np\n",
+    "from dmrg_utils import load_mps, max_det_coeff, expand_csf\n",
+    "from cas_utils import log_hilbert_space_size\n",
+    "from matplotlib import pyplot as plt\n",
+    "from pathlib import Path\n",
+    "import urllib.request"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# General parameters\n",
+    "repository_url = \"https://github.com/isi-usc-edu/qb-gsee-benchmark/archive/refs/heads/main.zip\"\n",
+    "problem_instance_files_repository_path = (\n",
+    "    \"problem_instances\"\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Download problem instance files\n",
+    "repository_filepath = Path(\"repository.zip\")\n",
+    "\n",
+    "repository_path = Path(\"qb-gsee-benchmark-main\")\n",
+    "if not repository_path.exists():\n",
+    "    # Download repository\n",
+    "    urllib.request.urlretrieve(repository_url, repository_filepath.name)\n",
+    "    # unzip repository\n",
+    "    os.system(f\"unzip {repository_filepath}\")\n",
+    "\n",
+    "problem_instance_files_path = repository_path / problem_instance_files_repository_path\n",
+    "instance_files = list(problem_instance_files_path.glob('problem_instance.*.json'))"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Retrieve relevant metadata\n",
+    "metadata = []\n",
+    "\n",
+    "for file in instance_files:\n",
+    "    with open(file, 'r') as jf:\n",
+    "        json_data = json.load(jf)\n",
+    "    \n",
+    "    \n",
+    "    for task_data in json_data['tasks']:\n",
+    "        features = dict(task_data['features'])\n",
+    "        #assert len(task_data['supporting_files']) == 1 \n",
+    "        #if len(task_data['supporting_files']) > 1:\n",
+    "        #    print(task_data['task_uuid'])\n",
+    "        #    print(f'Number of supporting files : {len(task_data[\"supporting_files\"])}')\n",
+    "        #    for sinfo in task_data['supporting_files']:\n",
+    "        #        print(sinfo)\n",
+    "        #    break\n",
+    "        for sinfo in task_data['supporting_files']:\n",
+    "            if 'fcidump' in sinfo['instance_data_object_url'] or 'FCIDUMP' in sinfo['instance_data_object_url']:\n",
+    "                features = {**features, **sinfo}\n",
+    "                break\n",
+    "\n",
+    "        if not 'instance_data_object_url' in features.keys():\n",
+    "            print(f'{task_data[\"task_uuid\"]} does not have an fcidump!')\n",
+    "            print(task_data['supporting_files'])\n",
+    "            print(10*'-')\n",
+    "\n",
+    "        features['reference_energy'] = task_data['requirements'].get('reference_energy')\n",
+    "        features['reference_energy_units'] = task_data['requirements'].get('reference_energy_units')\n",
+    "        features['task_uuid'] = task_data['task_uuid']\n",
+    "        metadata.append(features)\n",
+    "\n",
+    "metadata = pd.DataFrame(metadata)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "metadata_0 = pd.DataFrame(metadata.loc[~metadata.avas_ne.isna()])\n",
+    "metadata_1 = pd.DataFrame(metadata.loc[metadata.avas_ne.isna()])\n",
+    "metadata_0.drop(columns=['num_electrons', 'num_orbitals'], inplace=True)\n",
+    "metadata_1.drop(columns=['avas_ne', 'avas_no'], inplace=True)\n",
+    "metadata_0.rename(columns={'avas_ne' : 'num_electrons', 'avas_no' : 'num_orbitals'}, inplace=True)\n",
+    "metadata = pd.concat([metadata_0, metadata_1], ignore_index=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "Index(['molecule_name', 'geometry', 'basis_set', 'charge', 'multiplicity',\n",
+       "       'instance_data_object_uuid', 'instance_data_object_url',\n",
+       "       'instance_data_checksum', 'instance_data_checksum_type',\n",
+       "       'reference_energy', 'reference_energy_units', 'task_uuid',\n",
+       "       'utility_scale', 'software_used', 'avas_atomic_orbitals', 'avas_minao',\n",
+       "       'num_electrons', 'num_orbitals', 'nbasis', 'correlated_electrons'],\n",
+       "      dtype='object')"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "metadata.columns"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#metadata.loc[metadata['instance_data_object_url'].isna()]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "['9030e9c9-0323-413c-a98e-aba16b180ba7', 'c7c653b0-4440-4a36-a66b-8b81a9a351c7', '82f35801-6276-4090-a9aa-b821d94708d4', '362386c9-f0c2-483e-a64d-52208ab9bbc1', '61ad4cfe-b057-4dd8-bd06-ed56347745c1', 'fc25a232-d249-4e1c-a9ec-360cab33f779', 'b99ec02f-b46a-43fe-8a87-1b3286e072d8', '8874bf11-f594-41df-b8a0-d2a7441904a1', '202e6184-1e7d-4c02-a82a-f588b6abf809', '7c8f0a36-cda5-4b33-bb46-4e58a15b37a1', 'cbab5937-5e2f-4f3f-819e-ede8b66d7238', 'c28e09e1-5983-42f7-9ecb-b271438ebcc8', '881f5275-83eb-470c-80fe-eebb7ced30e9', 'e0de65ed-e45e-46e0-a57b-c6ad4efbdafe', '6918e02b-1e04-40bf-a800-1c9ed100d261', 'a2ad41b8-37bb-44e1-be3e-df1052952e9c', 'b4968ccd-6711-4173-8f80-f16094b3e0cd', 'ee2925f1-a302-4c21-b33c-5cb30b10270f', 'b86457a4-abf4-43c9-9c08-2397e95b7c0f', '7148b36a-0571-4a41-9239-19a97339f68a']\n"
+     ]
+    }
+   ],
+   "source": [
+    "task_uuid_incomp = metadata.loc[metadata.num_electrons.isna()]['task_uuid'].to_list()\n",
+    "print(task_uuid_incomp)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from utils import retrieve_fcidump_from_sftp\n",
+    "username = 'darpa-qb-zapata'\n",
+    "key_path = '/Users/akunitsa/.ssh/darpa-qb-zapata-key.ppk'\n",
+    "def process_fcidump(r):\n",
+    "    if r['task_uuid'] in task_uuid_incomp:\n",
+    "        #print(r['task_uuid'])\n",
+    "        #print(r['instance_data_object_url'])\n",
+    "        fci = retrieve_fcidump_from_sftp(r['instance_data_object_url'], username, key_path)\n",
+    "        return (fci['NELEC'], fci['NORB'], fci['MS2'] + 1)\n",
+    "    else:\n",
+    "        return (r['num_electrons'], r['num_orbitals'], r['multiplicity'])"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Downloading gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz to FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz...\n",
+      "Parsing FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b\n",
+      "Downloading gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz to FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz...\n",
+      "Parsing FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390\n",
+      "Downloading gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz to FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz...\n",
+      "Parsing FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070\n",
+      "Downloading gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz to FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz...\n",
+      "Parsing FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f\n",
+      "Downloading gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz to FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz...\n",
+      "Parsing FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857\n",
+      "Downloading gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz to FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz...\n",
+      "Parsing FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce\n",
+      "Downloading gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz to FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz...\n",
+      "Parsing FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63\n",
+      "Downloading gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz to FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz...\n",
+      "Parsing FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8\n",
+      "Downloading gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz to FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz...\n",
+      "Parsing FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272\n",
+      "Downloading gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz to FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz...\n",
+      "Parsing FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e\n",
+      "Downloading gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz to FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz...\n",
+      "Parsing FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4\n",
+      "Downloading gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz to FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz...\n",
+      "Parsing FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079\n",
+      "Downloading gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz to FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz...\n",
+      "Parsing FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849\n",
+      "Downloading gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz to FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz...\n",
+      "Parsing FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02\n",
+      "Downloading gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz to FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz...\n",
+      "Parsing FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a\n",
+      "Downloading gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz to FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz...\n",
+      "Parsing FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db\n",
+      "Downloading gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz to FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz...\n",
+      "Parsing FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3\n",
+      "Downloading gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz to FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz...\n",
+      "Parsing FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d\n",
+      "Downloading gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz to FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz...\n",
+      "Parsing FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697\n",
+      "Downloading gsee/FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz to FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz...\n",
+      "Parsing FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850\n"
+     ]
+    }
+   ],
+   "source": [
+    "metadata[['num_electrons', 'num_orbitals', 'multiplicity']] = metadata.apply(process_fcidump, axis=1, result_type='expand')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#metadata.multiplicity.unique()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# We will exclude Cr2 instances here since their are not properly fromatted\n",
+    "#metadata = metadata.loc[~metadata.num_electrons.isna()]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "                              task_uuid  \\\n",
+      "0  0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27   \n",
+      "\n",
+      "                                        solution_dir  \n",
+      "0  ../data/data_storage/V0_vdz_a1436084-b348-4c11...  \n"
+     ]
+    }
+   ],
+   "source": [
+    "mps_data_dir = Path('../data/data_storage/') # Location of MPSs;\n",
+    "list_of_solution_dirs = list(mps_data_dir.glob('*'))\n",
+    "solution_paths = []\n",
+    "for sol_dir in list_of_solution_dirs:\n",
+    "    task_uuid = os.path.basename(sol_dir).split('_')[-1]\n",
+    "    solution_paths.append({'task_uuid' : task_uuid, 'solution_dir' : sol_dir})\n",
+    "sol_paths = pd.DataFrame(solution_paths)\n",
+    "print(sol_paths.head(1))"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "processed_uuids = []\n",
+    "if os.path.isfile('overlaps.csv'):\n",
+    "    data = pd.read_csv('overlaps.csv')\n",
+    "    processed_uuids = data['task_uuid'].to_list()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "../data/data_storage/38_1_ts_noncan_0_466245ef-7efa-480e-9724-1dcb4534b820_9da97ef6-4bad-4c82-8576-9b8e539a7ba8/mps_storage/dmrg_loop_027_ket_optimized\n",
+      "../data/data_storage/39_1_ts_noncan_0_4ded7042-dd68-4fa9-8e23-56d839c26910_f20db1b1-86e3-4ddf-96ff-a6d37f331935/mps_storage/dmrg_loop_033_ket_optimized\n",
+      "../data/data_storage/40_1_ts_noncan_0_05efedcd-ca71-4522-a5b9-8ffeb945fb78_742be33c-0982-4b06-b324-1d86242e28d9/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/41_1_ts_noncan_0_b1147cc6-f8d8-4fb3-a037-d6ed92203ccc_3b49563d-948a-4ecb-84a0-d3c0c2c0d217/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/42_1_star_noncan_0_9ca331da-b0f6-4bc8-8387-3fffc02d9672_950da653-13ce-4cd7-95d8-5045ab03d4bc/mps_storage/dmrg_loop_036_ket_optimized\n",
+      "../data/data_storage/43_1_star_noncan_0_881d2a46-e6b4-4fd5-bce4-b539222bf7ee_13821f5c-78a6-485c-9006-a17a234cde9f/mps_storage/dmrg_loop_048_ket_optimized\n",
+      "../data/data_storage/44_1_star_noncan_0_a847b2fc-f824-4b5c-9bd2-44e1756f94ca_765594e5-44ac-41a2-89a7-f2ac03536379/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/45_1_star_noncan_0_a66393b9-d8a6-4e8d-80c2-2563c8dc386d_858b9683-fc6c-4ebe-8c33-27f0d848f24f/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/46_2_noncan_0_27360f9a-f72a-49d7-88d4-61bd89d6864b_1a013e9f-7eab-4a1b-b486-1d9e2d99e754/mps_storage/dmrg_loop_034_ket_optimized\n",
+      "../data/data_storage/47_2_noncan_0_dcd290d7-2b84-4dc1-8495-9ce93fd18d28_001a0d11-165a-49c5-a334-643023029f40/mps_storage/dmrg_loop_048_ket_optimized\n",
+      "../data/data_storage/48_2_noncan_0_6b92aee0-7d64-45ce-be69-304e9af553cf_1c9508e3-b9fe-44f1-ae58-c6339ef43f47/mps_storage/dmrg_loop_048_ket_optimized\n",
+      "../data/data_storage/49_2_noncan_0_79074323-0867-487d-b3a5-ed33d086465d_6713517a-ab65-4381-aae1-0839dcd6c1a0/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/50_6acme_0_96b693e1-15d1-4540-b79a-6f1878517ec7_4970c526-817f-4c04-8d7e-797526d5948d/mps_storage/dmrg_loop_045_ket_optimized\n",
+      "../data/data_storage/51_6acme_0_8bf8dc58-83a5-4562-8617-bfd4af9be79c_d27fb590-4e90-4d5a-bdb8-37fbf22f528b/mps_storage/dmrg_loop_041_ket_optimized\n",
+      "../data/data_storage/52_6acme_0_7f152671-a086-4faa-8c28-3f0aebcf9eca_a7cd2501-2f67-4fcd-b428-f6620f3596fe/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/53_ts56_0_f4d3d5c0-3568-415a-b0b8-87367b1ad290_d3bcc63c-57ad-4346-8290-e36447186440/mps_storage/dmrg_loop_044_ket_optimized\n",
+      "../data/data_storage/54_ts56_0_230b1216-4020-41b8-8f38-cb6b3dcf0b72_41907f9f-923d-49e3-80a9-519962110ae7/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/55_ts56_0_4d052c14-9312-49be-b6a3-fa7fc9b8ddde_ad9ceeaf-d7be-46b7-95a9-15bfd33f5022/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/56_5_0_c3776fab-41b5-4f93-a540-5a34ed27b655_adecdd92-73c7-416d-90da-b7a3da7ed50b/mps_storage/dmrg_loop_046_ket_optimized\n",
+      "../data/data_storage/57_5_0_57cb548d-a577-4d18-b1af-70df2d5c8366_03c70feb-49b8-4113-831a-05e3ae55c66b/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/58_5_0_4fa5562c-efca-487e-b403-d43e5892fdc7_0e936335-6370-4587-92f0-02eafaf650ed/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/2_co2_0_c4c348aa-0911-4c04-af8c-ea2d50bea1aa_4357d5bb-ed2b-466a-947b-e868afb81d3d/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/7_melact_0_863f19af-d5e4-4438-bc27-d5923faafeb7_b164af91-a758-445c-8e78-610ffd2ad795/mps_storage/dmrg_loop_009_ket_optimized\n",
+      "../data/data_storage/8_melact_0_43d2f1ce-bea3-4e55-8360-6fc705864bc5_28bd4997-c04c-4914-9984-0101713041fe/mps_storage/dmrg_loop_015_ket_optimized\n",
+      "../data/data_storage/0_ru_macho_noncan_0_dc2860e1-5500-48b0-b2f3-92d12dd58eb4_dcf2b441-b297-4a89-ae18-5778ec2d674d/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/1_ru_macho_noncan_0_f8bc1bee-1ec4-4ddb-98d6-67e92cd6bc8f_6346b7fe-a4a5-4b10-a79b-706d4339923e/mps_storage/dmrg_loop_050_ket_optimized\n",
+      "../data/data_storage/3_ts_ru_macho_co2_noncan_0_d63dfeb6-5e42-4ce8-b717-bd40dd380dd4_68db6781-dd54-43c4-b667-7b754c4d5cdb/mps_storage/dmrg_loop_030_ket_optimized\n",
+      "../data/data_storage/4_ts_ru_macho_co2_noncan_0_4ab765e9-ec4e-488b-af97-525f78c8e5ca_d3ecd428-ee03-4d8b-aa14-af4d935781ed/mps_storage/dmrg_loop_045_ket_optimized\n",
+      "../data/data_storage/5_ts_ru_macho_melact_noncan_0_46bcecc2-b4a3-4112-95db-2cf1eee4cc03_89253c8f-0f01-4046-a138-1bada22f0a6a/mps_storage/dmrg_loop_024_ket_optimized\n",
+      "../data/data_storage/6_ts_ru_macho_melact_noncan_0_f76a72a4-532e-4e1e-9aa9-2a55caed341d_842d2152-2f91-4dce-b088-7ed26afb2381/mps_storage/dmrg_loop_045_ket_optimized\n",
+      "../data/data_storage/32_2ru_III_3pl_noncan_0_7876797c-3793-47e9-8f18-99d9a5af532b_5509795a-90ce-45d6-b03d-db956a5da5b2/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/33_2ru_III_3pl_noncan_0_371af149-e89d-487e-9903-e235e6d11af4_bc3520b5-bf25-4a43-892c-8d7e9a690fe2/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/34_3ruo_IV_2pl_noncan_0_8285ea97-55b9-41c7-b3dd-60b3eda15367_d937e005-3688-4138-9465-426798087395/mps_storage/dmrg_loop_013_ket_optimized\n",
+      "../data/data_storage/35_3ruo_IV_2pl_noncan_0_945a5ed1-42e5-49fc-8b85-09c2c91175df_ace55695-1ca9-4153-8fd4-55ed6658cf8c/mps_storage/dmrg_loop_049_ket_optimized\n",
+      "../data/data_storage/36_1ru_II_2pl_noncan_0_8fbc333c-1de7-47ac-bd7e-e7de1ddc4716_dab492c3-27fe-4ac3-8c98-de2563caf66c/mps_storage/first_preloop_calc_ket_optimized\n",
+      "../data/data_storage/37_1ru_II_2pl_noncan_0_70a17eb0-ba4e-4ec4-aebd-3d4506d46514_a475af8e-cb0b-4533-906d-a6b8eda313e7/mps_storage/dmrg_loop_034_ket_optimized\n"
+     ]
+    }
+   ],
+   "source": [
+    "overlap_data = []\n",
+    "missing_solutions = []\n",
+    "for index, row in metadata.iterrows():\n",
+    "\n",
+    "    if row['task_uuid'] in processed_uuids:\n",
+    "        continue\n",
+    "\n",
+    "    n_electrons = int(row[\"num_electrons\"])\n",
+    "    spin = int(row[\"multiplicity\"]) - 1\n",
+    "    n_cas = int(row[\"num_orbitals\"])\n",
+    "    task_uuid = row[\"task_uuid\"]\n",
+    "\n",
+    "    path_to_solution = sol_paths.query(f'task_uuid == \"{task_uuid}\"') \n",
+    "    if path_to_solution.empty:\n",
+    "        #print(full_path_to_solution['solution_dir'])\n",
+    "        #print(f'Solution not found for {row[\"task_uuid\"]}')\n",
+    "        missing_solutions.append({'task_uuid' : task_uuid, 'molecule' : row['molecule_name']})\n",
+    "        continue\n",
+    "    \n",
+    "    driver = DMRGDriver(scratch=\"./tmp\", symm_type=SymmetryTypes.SU2, n_threads=4)\n",
+    "    driver.initialize_system(\n",
+    "        n_sites=int(n_cas),\n",
+    "        n_elec=int(n_electrons),\n",
+    "        spin=int(spin),\n",
+    "    )\n",
+    "    full_dir = path_to_solution['solution_dir'].item()/'mps_storage'\n",
+    "    #print(full_dir)\n",
+    "    dmrg_loop_dir_lst = list(full_dir.glob(\"*\"))\n",
+    "    #print(dmrg_loop_dir_lst)\n",
+    "    assert len(dmrg_loop_dir_lst) == 1 # we should have just one solution per instance\n",
+    "    dmrg_loop_dir = dmrg_loop_dir_lst[0]\n",
+    "    print(dmrg_loop_dir)\n",
+    "\n",
+    "    assert os.path.isfile(dmrg_loop_dir/'mps_info.bin')\n",
+    "\n",
+    "    ket = load_mps(dmrg_loop_dir)\n",
+    "\n",
+    "    coeff, csf = max_det_coeff(driver, ket, cutoff=0.0005)\n",
+    "\n",
+    "    overlap_data.append({'task_uuid' : task_uuid,\n",
+    "                         'num_orbitals' : row['num_orbitals'], \n",
+    "                         'num_electrons' : row['num_electrons'], \n",
+    "                         'hf_coeff' : np.abs(coeff), \n",
+    "                         'csf' : csf})\n",
+    "        "
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "missing_solutions_df = pd.DataFrame(missing_solutions)\n",
+    "overlap_data_df = pd.DataFrame(overlap_data)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array(['be_cc-pVDZ', 'V1_vtz'], dtype=object)"
+      ]
+     },
+     "execution_count": 17,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "missing_solutions_df.molecule.unique()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 18,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>task_uuid</th>\n",
+       "      <th>num_orbitals</th>\n",
+       "      <th>num_electrons</th>\n",
+       "      <th>hf_coeff</th>\n",
+       "      <th>csf</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>9da97ef6-4bad-4c82-8576-9b8e539a7ba8</td>\n",
+       "      <td>18.0</td>\n",
+       "      <td>22.0</td>\n",
+       "      <td>0.736407</td>\n",
+       "      <td>[3, 3, 3, 3, 3, 3, 0, 0, 0, 0, 3, 1, 3, 3, 0, ...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>f20db1b1-86e3-4ddf-96ff-a6d37f331935</td>\n",
+       "      <td>22.0</td>\n",
+       "      <td>30.0</td>\n",
+       "      <td>0.654199</td>\n",
+       "      <td>[1, 3, 3, 3, 3, 3, 0, 2, 3, 3, 0, 3, 0, 0, 0, ...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>742be33c-0982-4b06-b324-1d86242e28d9</td>\n",
+       "      <td>34.0</td>\n",
+       "      <td>50.0</td>\n",
+       "      <td>0.252078</td>\n",
+       "      <td>[3, 3, 0, 3, 1, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>3b49563d-948a-4ecb-84a0-d3c0c2c0d217</td>\n",
+       "      <td>36.0</td>\n",
+       "      <td>50.0</td>\n",
+       "      <td>0.179748</td>\n",
+       "      <td>[0, 3, 1, 0, 3, 0, 3, 3, 3, 3, 3, 3, 2, 3, 1, ...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>950da653-13ce-4cd7-95d8-5045ab03d4bc</td>\n",
+       "      <td>18.0</td>\n",
+       "      <td>22.0</td>\n",
+       "      <td>0.540153</td>\n",
+       "      <td>[1, 3, 1, 0, 0, 0, 0, 3, 0, 3, 2, 3, 3, 3, 3, ...</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                              task_uuid  num_orbitals  num_electrons  \\\n",
+       "0  9da97ef6-4bad-4c82-8576-9b8e539a7ba8          18.0           22.0   \n",
+       "1  f20db1b1-86e3-4ddf-96ff-a6d37f331935          22.0           30.0   \n",
+       "2  742be33c-0982-4b06-b324-1d86242e28d9          34.0           50.0   \n",
+       "3  3b49563d-948a-4ecb-84a0-d3c0c2c0d217          36.0           50.0   \n",
+       "4  950da653-13ce-4cd7-95d8-5045ab03d4bc          18.0           22.0   \n",
+       "\n",
+       "   hf_coeff                                                csf  \n",
+       "0  0.736407  [3, 3, 3, 3, 3, 3, 0, 0, 0, 0, 3, 1, 3, 3, 0, ...  \n",
+       "1  0.654199  [1, 3, 3, 3, 3, 3, 0, 2, 3, 3, 0, 3, 0, 0, 0, ...  \n",
+       "2  0.252078  [3, 3, 0, 3, 1, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...  \n",
+       "3  0.179748  [0, 3, 1, 0, 3, 0, 3, 3, 3, 3, 3, 3, 2, 3, 1, ...  \n",
+       "4  0.540153  [1, 3, 1, 0, 0, 0, 0, 3, 0, 3, 2, 3, 3, 3, 3, ...  "
+      ]
+     },
+     "execution_count": 18,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "overlap_data_df.head()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 19,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(36, 5)"
+      ]
+     },
+     "execution_count": 19,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "overlap_data_df.shape"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 20,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "overlap_data_df.rename(columns={'hf_coeff': 'overlap'}, inplace=True)\n",
+    "overlap_data_df[['overlap', 'task_uuid']].to_csv('overlaps_.csv', index=False)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "darpa",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.9.18"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}

From 4b73918b21d567cebf52f83c9e08c0c7b32525d0 Mon Sep 17 00:00:00 2001
From: Alexander Kunitsa <28026247+aakunitsa@users.noreply.github.com>
Date: Fri, 13 Dec 2024 12:32:28 -0500
Subject: [PATCH 19/25] latest get_overlap.ipynb

---
 examples/csf_weight.ipynb  | 918 ----------------------------------
 examples/get_overlap.ipynb | 976 +++++++++++++++++++++++++------------
 2 files changed, 665 insertions(+), 1229 deletions(-)
 delete mode 100644 examples/csf_weight.ipynb

diff --git a/examples/csf_weight.ipynb b/examples/csf_weight.ipynb
deleted file mode 100644
index c610d28..0000000
--- a/examples/csf_weight.ipynb
+++ /dev/null
@@ -1,918 +0,0 @@
-{
- "cells": [
-  {
-   "cell_type": "code",
-   "execution_count": 8,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "import h5py, os, glob, json\n",
-    "from block2 import SU2\n",
-    "from pyblock2.driver.core import DMRGDriver, SymmetryTypes\n",
-    "import pandas as pd\n",
-    "import numpy as np\n",
-    "from dmrg_utils import load_mps, max_det_coeff, expand_csf\n",
-    "from cas_utils import log_hilbert_space_size\n",
-    "from matplotlib import pyplot as plt\n",
-    "from pathlib import Path\n",
-    "import urllib.request"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 9,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# General parameters\n",
-    "repository_url = \"https://github.com/isi-usc-edu/qb-gsee-benchmark/archive/refs/heads/main.zip\"\n",
-    "problem_instance_files_repository_path = (\n",
-    "    \"problem_instances\"\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 10,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# Download problem instance files\n",
-    "repository_filepath = Path(\"repository.zip\")\n",
-    "\n",
-    "repository_path = Path(\"qb-gsee-benchmark-main\")\n",
-    "if not repository_path.exists():\n",
-    "    # Download repository\n",
-    "    urllib.request.urlretrieve(repository_url, repository_filepath.name)\n",
-    "    # unzip repository\n",
-    "    os.system(f\"unzip {repository_filepath}\")\n",
-    "\n",
-    "problem_instance_files_path = repository_path / problem_instance_files_repository_path\n",
-    "instance_files = list(problem_instance_files_path.glob('problem_instance.planted_solution_*.json'))"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 11,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# Retrieve relevant metadata\n",
-    "metadata = []\n",
-    "\n",
-    "for file in instance_files:\n",
-    "    with open(file, 'r') as jf:\n",
-    "        json_data = json.load(jf)\n",
-    "    \n",
-    "    \n",
-    "    for task_data in json_data['tasks']:\n",
-    "        features = dict(task_data['features'])\n",
-    "        assert len(task_data['supporting_files']) == 1 \n",
-    "        features = {**features, **(task_data['supporting_files'][0])}\n",
-    "        features['reference_energy'] = task_data['requirements'].get('reference_energy')\n",
-    "        features['reference_energy_units'] = task_data['requirements'].get('reference_energy_units')\n",
-    "        features['task_uuid'] = task_data['task_uuid']\n",
-    "\n",
-    "    file_name = os.path.basename(file)\n",
-    "    features['prob_file_name'] = file_name\n",
-    "\n",
-    "    metadata.append(features)\n",
-    "\n",
-    "metadata = pd.DataFrame(metadata)\n",
-    "metadata['prob_name_wo_uuid'] = metadata.apply(lambda r: r['prob_file_name'].split('.')[1], axis=1)"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "       prob_name_wo_uuid                                       solution_dir\n",
-      "0  planted_solution_0004  ../data/data_storage/planted_solution_0004.7e0...\n"
-     ]
-    }
-   ],
-   "source": [
-    "mps_data_dir = Path('../data/data_storage/') # Location of MPSs; in this example - for planted solutions\n",
-    "list_of_solution_dirs = list(mps_data_dir.glob('planted_solution_*'))\n",
-    "solution_paths = []\n",
-    "for sol_dir in list_of_solution_dirs:\n",
-    "    prob_name = os.path.basename(sol_dir).split('.')[0]\n",
-    "    solution_paths.append({'prob_name_wo_uuid' : prob_name, 'solution_dir' : sol_dir})\n",
-    "sol_paths = pd.DataFrame(solution_paths)\n",
-    "print(sol_paths.head(1))"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 13,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>multiplicity</th>\n",
-       "      <th>num_electrons</th>\n",
-       "      <th>num_orbitals</th>\n",
-       "      <th>utility_scale</th>\n",
-       "      <th>instance_data_object_uuid</th>\n",
-       "      <th>instance_data_object_url</th>\n",
-       "      <th>instance_data_checksum</th>\n",
-       "      <th>instance_data_checksum_type</th>\n",
-       "      <th>reference_energy</th>\n",
-       "      <th>reference_energy_units</th>\n",
-       "      <th>task_uuid</th>\n",
-       "      <th>prob_file_name</th>\n",
-       "      <th>prob_name_wo_uuid</th>\n",
-       "      <th>solution_dir</th>\n",
-       "      <th>log10_hs_size</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>0</th>\n",
-       "      <td>1</td>\n",
-       "      <td>50</td>\n",
-       "      <td>31</td>\n",
-       "      <td>False</td>\n",
-       "      <td>efddd28a-383d-4929-9335-22e54ba2ffbe</td>\n",
-       "      <td>sftp://sftp.l3harris.com/gsee/planted_solution...</td>\n",
-       "      <td>48e4bda8ad2e48926e8b7c36ea24f1e16ab8edf2</td>\n",
-       "      <td>sha1sum</td>\n",
-       "      <td>-581.589915</td>\n",
-       "      <td>hartree</td>\n",
-       "      <td>472bbfb1-c081-4df6-b966-32ce1194ab8c</td>\n",
-       "      <td>problem_instance.planted_solution_0003.a37c86c...</td>\n",
-       "      <td>planted_solution_0003</td>\n",
-       "      <td>../data/data_storage/planted_solution_0003.70f...</td>\n",
-       "      <td>11.734087</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "   multiplicity  num_electrons  num_orbitals  utility_scale  \\\n",
-       "0             1             50            31          False   \n",
-       "\n",
-       "              instance_data_object_uuid  \\\n",
-       "0  efddd28a-383d-4929-9335-22e54ba2ffbe   \n",
-       "\n",
-       "                            instance_data_object_url  \\\n",
-       "0  sftp://sftp.l3harris.com/gsee/planted_solution...   \n",
-       "\n",
-       "                     instance_data_checksum instance_data_checksum_type  \\\n",
-       "0  48e4bda8ad2e48926e8b7c36ea24f1e16ab8edf2                     sha1sum   \n",
-       "\n",
-       "   reference_energy reference_energy_units  \\\n",
-       "0       -581.589915                hartree   \n",
-       "\n",
-       "                              task_uuid  \\\n",
-       "0  472bbfb1-c081-4df6-b966-32ce1194ab8c   \n",
-       "\n",
-       "                                      prob_file_name      prob_name_wo_uuid  \\\n",
-       "0  problem_instance.planted_solution_0003.a37c86c...  planted_solution_0003   \n",
-       "\n",
-       "                                        solution_dir  log10_hs_size  \n",
-       "0  ../data/data_storage/planted_solution_0003.70f...      11.734087  "
-      ]
-     },
-     "execution_count": 13,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "metadata = metadata.join(sol_paths.set_index('prob_name_wo_uuid'), on='prob_name_wo_uuid', how='left')\n",
-    "metadata['log10_hs_size'] = metadata.apply(lambda r: log_hilbert_space_size(r['num_orbitals'], \n",
-    "                                                     r['num_electrons'], r['multiplicity']), axis=1)\n",
-    "metadata.head(1)"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 14,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>prob_name_wo_uuid</th>\n",
-       "      <th>log10_hs_size</th>\n",
-       "      <th>num_orbitals</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>0</th>\n",
-       "      <td>planted_solution_0003</td>\n",
-       "      <td>11.734087</td>\n",
-       "      <td>31</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>1</th>\n",
-       "      <td>planted_solution_0009</td>\n",
-       "      <td>36.725579</td>\n",
-       "      <td>69</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>2</th>\n",
-       "      <td>planted_solution_0004</td>\n",
-       "      <td>37.619895</td>\n",
-       "      <td>70</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>3</th>\n",
-       "      <td>planted_solution_0008</td>\n",
-       "      <td>6.602928</td>\n",
-       "      <td>14</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>4</th>\n",
-       "      <td>planted_solution_0011</td>\n",
-       "      <td>11.734087</td>\n",
-       "      <td>31</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>5</th>\n",
-       "      <td>planted_solution_0005</td>\n",
-       "      <td>6.955111</td>\n",
-       "      <td>14</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>6</th>\n",
-       "      <td>planted_solution_0002</td>\n",
-       "      <td>36.725579</td>\n",
-       "      <td>69</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>7</th>\n",
-       "      <td>planted_solution_0006</td>\n",
-       "      <td>6.602928</td>\n",
-       "      <td>14</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>8</th>\n",
-       "      <td>planted_solution_0010</td>\n",
-       "      <td>11.547244</td>\n",
-       "      <td>30</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>9</th>\n",
-       "      <td>planted_solution_0001</td>\n",
-       "      <td>6.602928</td>\n",
-       "      <td>14</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>10</th>\n",
-       "      <td>planted_solution_0007</td>\n",
-       "      <td>11.734087</td>\n",
-       "      <td>31</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "        prob_name_wo_uuid  log10_hs_size  num_orbitals\n",
-       "0   planted_solution_0003      11.734087            31\n",
-       "1   planted_solution_0009      36.725579            69\n",
-       "2   planted_solution_0004      37.619895            70\n",
-       "3   planted_solution_0008       6.602928            14\n",
-       "4   planted_solution_0011      11.734087            31\n",
-       "5   planted_solution_0005       6.955111            14\n",
-       "6   planted_solution_0002      36.725579            69\n",
-       "7   planted_solution_0006       6.602928            14\n",
-       "8   planted_solution_0010      11.547244            30\n",
-       "9   planted_solution_0001       6.602928            14\n",
-       "10  planted_solution_0007      11.734087            31"
-      ]
-     },
-     "execution_count": 14,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "metadata[['prob_name_wo_uuid', 'log10_hs_size', 'num_orbitals']]"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 15,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Path to MPSs: ../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_007_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_008_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_009_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_010_ket_optimized\n",
-      "../data/data_storage/planted_solution_0003.70f02aa9-7e8f-481c-a173-bf314a229153/mps_storage/dmrg_loop_011_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_007_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_008_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_009_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_010_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_011_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_012_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_013_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_014_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_015_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_016_ket_optimized\n",
-      "../data/data_storage/planted_solution_0009.8f2c4e3d-0d08-4bea-aa99-c495e953a60f/mps_storage/dmrg_loop_017_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_007_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_008_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_009_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_010_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_011_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_012_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_013_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_014_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_015_ket_optimized\n",
-      "../data/data_storage/planted_solution_0004.7e048638-8291-4fb5-9676-e25c4fe5e34a/mps_storage/dmrg_loop_016_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90\n",
-      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0008.815c4ddf-b6e6-4357-97da-c27898e85e90/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_007_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_008_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_009_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_010_ket_optimized\n",
-      "../data/data_storage/planted_solution_0011.cabf5c61-6d4d-4019-9681-0b21a4e13b04/mps_storage/dmrg_loop_011_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0005.a3398364-0b77-461a-8b8a-ca3275ca0f49\n",
-      "../data/data_storage/planted_solution_0005.a3398364-0b77-461a-8b8a-ca3275ca0f49/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0005.a3398364-0b77-461a-8b8a-ca3275ca0f49/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0005.a3398364-0b77-461a-8b8a-ca3275ca0f49/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_007_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_008_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_009_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_010_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_011_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_012_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_013_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_014_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_015_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_016_ket_optimized\n",
-      "../data/data_storage/planted_solution_0002.aa45f868-b49c-49da-858a-c00a6ebef57e/mps_storage/dmrg_loop_017_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_007_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_008_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_009_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_010_ket_optimized\n",
-      "../data/data_storage/planted_solution_0006.baa43bb7-6cef-40c0-b8eb-4e1276f271f4/mps_storage/dmrg_loop_011_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884\n",
-      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0010.9005cc91-5b42-418d-8071-39b894b11884/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_007_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_008_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_009_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_010_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_011_ket_optimized\n",
-      "../data/data_storage/planted_solution_0001.9086eb16-80c7-4aab-9c9f-aefd1ac41d0f/mps_storage/dmrg_loop_012_ket_optimized\n",
-      "Path to MPSs: ../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_001_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_002_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_003_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_004_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_005_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_006_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_007_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_008_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_009_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_010_ket_optimized\n",
-      "../data/data_storage/planted_solution_0007.f972a8d3-92fe-40cd-85b9-6d4ac3182506/mps_storage/dmrg_loop_011_ket_optimized\n"
-     ]
-    }
-   ],
-   "source": [
-    "overlap_data = []\n",
-    "for index, row in metadata.iterrows():\n",
-    "\n",
-    "    n_electrons = int(row[\"num_electrons\"])\n",
-    "    spin = int(row[\"multiplicity\"]) - 1\n",
-    "    n_cas = int(row[\"num_orbitals\"])\n",
-    "\n",
-    "    full_path_to_solution = row['solution_dir']\n",
-    "    print(f'Path to MPSs: {full_path_to_solution}')\n",
-    "    \n",
-    "    with h5py.File(full_path_to_solution/'dmrg_results.hdf5', 'r') as f:\n",
-    "        loop_bd_info = {} \n",
-    "        for k in f.keys():\n",
-    "            if 'dmrg_loop_' in k:\n",
-    "                loop_num = int(k.split('_')[-1])\n",
-    "                max_bd = np.max(np.array(f[k]['dmrg_parameters']['sweep_schedule_bond_dims']))\n",
-    "                loop_bd_info[loop_num] = max_bd\n",
-    "\n",
-    "        n_loops = len(loop_bd_info)\n",
-    "\n",
-    "    for loop in range(1, n_loops + 1):\n",
-    "\n",
-    "        driver = DMRGDriver(scratch=\"./tmp\", symm_type=SymmetryTypes.SU2, n_threads=4)\n",
-    "        driver.initialize_system(\n",
-    "            n_sites=int(n_cas),\n",
-    "            n_elec=int(n_electrons),\n",
-    "            spin=int(spin),\n",
-    "        )\n",
-    "\n",
-    "        if loop > 9:\n",
-    "            full_dir = full_path_to_solution/'mps_storage'/f'dmrg_loop_0{loop}_ket_optimized'\n",
-    "        else:\n",
-    "            full_dir = full_path_to_solution/'mps_storage'/f'dmrg_loop_00{loop}_ket_optimized'\n",
-    "\n",
-    "        print(full_dir)\n",
-    "\n",
-    "        assert os.path.isfile(full_dir/'mps_info.bin')\n",
-    "\n",
-    "        ket = load_mps(full_dir)\n",
-    "        #bd = ket.info.bond_dim # may not display the correct value\n",
-    "        bd = loop_bd_info[loop]\n",
-    "\n",
-    "        coeff, csf = max_det_coeff(driver, ket, cutoff=0.0005)\n",
-    "        #zcsf = expand_csf(driver, csf, \n",
-    "        #                  ne=int(n_electrons), \n",
-    "        #                  no=int(n_cas), spin=int(spin))\n",
-    "        #dets, coeffs = driver.get_csf_coefficients(zcsf, cutoff=1e-6, iprint=0)\n",
-    "\n",
-    "\n",
-    "        overlap_data.append({'prob_name_wo_uuid' : row['prob_name_wo_uuid'],\n",
-    "                             'loop' : loop,\n",
-    "                             'num_orbitals' : row['num_orbitals'], \n",
-    "                             'num_electrons' : row['num_electrons'], \n",
-    "                             'bond_dimension' : bd,\n",
-    "                             'hf_coeff' : np.abs(coeff), \n",
-    "                             'csf' : csf, 'n_dets' : None})\n",
-    "                             # 'n_dets' : len(dets), })\n",
-    "                             #'z_s1' : z_s1 })\n",
-    "        "
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 16,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
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-       "\n",
-       "    .dataframe tbody tr th {\n",
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-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
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-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>prob_name_wo_uuid</th>\n",
-       "      <th>loop</th>\n",
-       "      <th>num_orbitals</th>\n",
-       "      <th>num_electrons</th>\n",
-       "      <th>bond_dimension</th>\n",
-       "      <th>hf_coeff</th>\n",
-       "      <th>csf</th>\n",
-       "      <th>n_dets</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>0</th>\n",
-       "      <td>planted_solution_0003</td>\n",
-       "      <td>1</td>\n",
-       "      <td>31</td>\n",
-       "      <td>50</td>\n",
-       "      <td>6</td>\n",
-       "      <td>0.976323</td>\n",
-       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
-       "      <td>None</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>1</th>\n",
-       "      <td>planted_solution_0003</td>\n",
-       "      <td>2</td>\n",
-       "      <td>31</td>\n",
-       "      <td>50</td>\n",
-       "      <td>7</td>\n",
-       "      <td>0.977222</td>\n",
-       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
-       "      <td>None</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>2</th>\n",
-       "      <td>planted_solution_0003</td>\n",
-       "      <td>3</td>\n",
-       "      <td>31</td>\n",
-       "      <td>50</td>\n",
-       "      <td>8</td>\n",
-       "      <td>0.977415</td>\n",
-       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
-       "      <td>None</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>3</th>\n",
-       "      <td>planted_solution_0003</td>\n",
-       "      <td>4</td>\n",
-       "      <td>31</td>\n",
-       "      <td>50</td>\n",
-       "      <td>9</td>\n",
-       "      <td>0.976903</td>\n",
-       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
-       "      <td>None</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>4</th>\n",
-       "      <td>planted_solution_0003</td>\n",
-       "      <td>5</td>\n",
-       "      <td>31</td>\n",
-       "      <td>50</td>\n",
-       "      <td>10</td>\n",
-       "      <td>0.976597</td>\n",
-       "      <td>[0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
-       "      <td>None</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "       prob_name_wo_uuid  loop  num_orbitals  num_electrons  bond_dimension  \\\n",
-       "0  planted_solution_0003     1            31             50               6   \n",
-       "1  planted_solution_0003     2            31             50               7   \n",
-       "2  planted_solution_0003     3            31             50               8   \n",
-       "3  planted_solution_0003     4            31             50               9   \n",
-       "4  planted_solution_0003     5            31             50              10   \n",
-       "\n",
-       "   hf_coeff                                                csf n_dets  \n",
-       "0  0.976323  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  \n",
-       "1  0.977222  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  \n",
-       "2  0.977415  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  \n",
-       "3  0.976903  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  \n",
-       "4  0.976597  [0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...   None  "
-      ]
-     },
-     "execution_count": 16,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "overlaps = pd.DataFrame(overlap_data)\n",
-    "#overlaps = overlaps.join(metadata_.set_index('task_uuid'), on='task_uuid', how='left')\n",
-    "overlaps.head()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 17,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "Index(['prob_name_wo_uuid', 'loop', 'num_orbitals', 'num_electrons',\n",
-       "       'bond_dimension', 'hf_coeff', 'csf', 'n_dets'],\n",
-       "      dtype='object')"
-      ]
-     },
-     "execution_count": 17,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "#overlaps.shape\n",
-    "overlaps.columns"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 18,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "array(['planted_solution_0003', 'planted_solution_0009',\n",
-       "       'planted_solution_0004', 'planted_solution_0008',\n",
-       "       'planted_solution_0011', 'planted_solution_0005',\n",
-       "       'planted_solution_0002', 'planted_solution_0006',\n",
-       "       'planted_solution_0010', 'planted_solution_0001',\n",
-       "       'planted_solution_0007'], dtype=object)"
-      ]
-     },
-     "execution_count": 18,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "overlaps.prob_name_wo_uuid.unique()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 19,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 500x1500 with 12 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "fig, ax = plt.subplots(6, 2, figsize=(5, 15))\n",
-    "ax_ = ax.flatten()\n",
-    "index = 0\n",
-    "for id_, group_ in overlaps.groupby('prob_name_wo_uuid'):\n",
-    "    bd = group_['bond_dimension'].to_numpy()\n",
-    "    abs_hf_coeff = group_['hf_coeff'].to_numpy()\n",
-    "    p = np.argsort(bd)\n",
-    "    no_tag = group_[\"num_orbitals\"].unique()[0]\n",
-    "    ne_tag = group_['num_electrons'].unique()[0]\n",
-    "    ax_[index].plot(bd[p], abs_hf_coeff[p], '^--')\n",
-    "    ax_[index].set_xlabel('bond dim.')\n",
-    "    ax_[index].tick_params(axis='x', labelrotation=45)\n",
-    "    ax_[index].set_ylabel(r'$|c_0|$')\n",
-    "    ax_[index].set_yscale('log')\n",
-    "    ax_[index].set_title(f'{id_.split(\"_\")[-1]} ({int(no_tag)}o, {int(ne_tag)}e)')\n",
-    "    index += 1\n",
-    "\n",
-    "fig.tight_layout()\n",
-    "plt.savefig('overlaps.png', dpi=300)"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 20,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>loop</th>\n",
-       "      <th>num_orbitals</th>\n",
-       "      <th>num_electrons</th>\n",
-       "      <th>bond_dimension</th>\n",
-       "      <th>hf_coeff</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>prob_name_wo_uuid</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>planted_solution_0001</th>\n",
-       "      <td>12</td>\n",
-       "      <td>14</td>\n",
-       "      <td>18</td>\n",
-       "      <td>24</td>\n",
-       "      <td>0.708597</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>planted_solution_0002</th>\n",
-       "      <td>17</td>\n",
-       "      <td>69</td>\n",
-       "      <td>90</td>\n",
-       "      <td>41</td>\n",
-       "      <td>0.225133</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>planted_solution_0003</th>\n",
-       "      <td>11</td>\n",
-       "      <td>31</td>\n",
-       "      <td>50</td>\n",
-       "      <td>21</td>\n",
-       "      <td>0.977415</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>planted_solution_0004</th>\n",
-       "      <td>16</td>\n",
-       "      <td>70</td>\n",
-       "      <td>90</td>\n",
-       "      <td>37</td>\n",
-       "      <td>0.968532</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>planted_solution_0005</th>\n",
-       "      <td>3</td>\n",
-       "      <td>14</td>\n",
-       "      <td>16</td>\n",
-       "      <td>8</td>\n",
-       "      <td>0.998537</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                       loop  num_orbitals  num_electrons  bond_dimension  \\\n",
-       "prob_name_wo_uuid                                                          \n",
-       "planted_solution_0001    12            14             18              24   \n",
-       "planted_solution_0002    17            69             90              41   \n",
-       "planted_solution_0003    11            31             50              21   \n",
-       "planted_solution_0004    16            70             90              37   \n",
-       "planted_solution_0005     3            14             16               8   \n",
-       "\n",
-       "                       hf_coeff  \n",
-       "prob_name_wo_uuid                \n",
-       "planted_solution_0001  0.708597  \n",
-       "planted_solution_0002  0.225133  \n",
-       "planted_solution_0003  0.977415  \n",
-       "planted_solution_0004  0.968532  \n",
-       "planted_solution_0005  0.998537  "
-      ]
-     },
-     "execution_count": 20,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "overlaps_summary = overlaps.groupby('prob_name_wo_uuid').max('loop')\n",
-    "overlaps_summary.head()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 29,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "#overlaps_summary = overlaps_summary.join(metadata[['prob_name_wo_uuid', 'instance_data_object_url']].set_index('prob_name_wo_uuid'), on='prob_name_wo_uuid', how='left')\n",
-    "overlaps_summary = overlaps_summary.join(metadata[['prob_name_wo_uuid', 'task_uuid']].set_index('prob_name_wo_uuid'), on='prob_name_wo_uuid', how='left')"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 30,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "overlaps_summary.rename(columns={'hf_coeff' : 'overlap'}, inplace=True)\n",
-    "overlaps_summary[['overlap', 'task_uuid']].to_csv('overlaps.csv', index=False)"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": []
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "darpa",
-   "language": "python",
-   "name": "python3"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.9.18"
-  }
- },
- "nbformat": 4,
- "nbformat_minor": 2
-}
diff --git a/examples/get_overlap.ipynb b/examples/get_overlap.ipynb
index e98ab3e..f510956 100644
--- a/examples/get_overlap.ipynb
+++ b/examples/get_overlap.ipynb
@@ -2,25 +2,23 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": 3,
    "metadata": {},
    "outputs": [],
    "source": [
-    "import h5py, os, glob, json\n",
-    "from block2 import SU2\n",
+    "import os, json\n",
     "from pyblock2.driver.core import DMRGDriver, SymmetryTypes\n",
     "import pandas as pd\n",
     "import numpy as np\n",
-    "from dmrg_utils import load_mps, max_det_coeff, expand_csf\n",
-    "from cas_utils import log_hilbert_space_size\n",
-    "from matplotlib import pyplot as plt\n",
+    "from qb_gsee_benchmark.dmrg_utils import load_mps, max_det_coeff\n",
     "from pathlib import Path\n",
-    "import urllib.request"
+    "import urllib.request\n",
+    "from qb_gsee_benchmark.utils import retrieve_fcidump_from_sftp"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": 5,
    "metadata": {},
    "outputs": [],
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@@ -33,9 +31,603 @@
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+   "execution_count": 7,
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+   "outputs": [
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+     "output_type": "stream",
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+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json  \n",
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+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json  \n",
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+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json  \n",
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+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json  \n",
+      "  inflating: qb-gsee-benchmark-main/problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json  \n",
+      "  inflating: qb-gsee-benchmark-main/pyproject.toml  \n",
+      "   creating: qb-gsee-benchmark-main/schemas/\n",
+      "  inflating: qb-gsee-benchmark-main/schemas/README.md  \n",
+      "  inflating: qb-gsee-benchmark-main/schemas/performance_metrics.schema.0.0.1.json  \n",
+      "  inflating: qb-gsee-benchmark-main/schemas/problem_instance.schema.0.0.1.json  \n",
+      "  inflating: qb-gsee-benchmark-main/schemas/solution.schema.0.0.1.json  \n",
+      "   creating: qb-gsee-benchmark-main/scripts/\n",
+      "  inflating: qb-gsee-benchmark-main/scripts/GSEE-HC_utility_estimates_all_instances_task_uuids_v2.csv  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/Hamiltonian_features.csv  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/LRE_config.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/LRE_config_overlaps.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/README.md  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/aggregated_solver_labels_2024-12-09-16-35.csv  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/aggregated_solver_labels_2024-12-10-07-10.csv  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/artifact.resource_estimate_data.csv  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_all_LREs_script.py  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_all_LREs_script_cli_args.txt  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_all_LREs_scripts.log.txt  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_all_ham_features_script.log.txt  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_all_ham_features_script.py  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_all_ham_features_script_cli_args.txt  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_all_performance_metrics_script.log.txt  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_all_performance_metrics_script.py  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_all_performance_metrics_script_cli_args.txt  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_sponsor_json_resource_estimates.log.txt  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_sponsor_json_resource_estimates.py  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/compute_sponsor_json_resource_estimates_cli_args.txt  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/create_summary_csv.py  \n",
+      "   creating: qb-gsee-benchmark-main/scripts/fixes/\n",
+      "  inflating: qb-gsee-benchmark-main/scripts/fixes/update_LRE_solns_to_have_overall_run_time.py  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/fixes/update_instances_to_list_of_files.py  \n",
+      "   creating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/\n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.09c3ddd5-0187-46e8-95c3-157c470cb69a.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.0ddeaaab-a6ef-436b-8189-290afa6408ea.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.16f9288f-be7e-4f8a-ab09-0153263f83c7.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.21abd0b3-b2cb-4a8a-812e-a8706542f429.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.2e1dab84-5b1a-4521-8d36-78117ab88bbd.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.3add17d8-cb86-4ae5-8474-96d272269d80.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.44060124-8f2d-4a91-80a9-5a29f0f4f716.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.4476d0ff-9618-4774-9619-e3f223249cea.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.52ddfe55-8758-448b-a6b1-3afdab85fdf4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.53abfc75-37a3-440c-a023-6e4cbffecd6a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.98016425-092d-41a4-b397-9b4b237c582a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.9cba211b-820c-4ad4-a050-336e8049e1c7.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.a4b9a6bd-4479-44b2-b172-642f74396781.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.bbbbba1c-868c-45a5-b16c-0c17536e83d8.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.bed1771c-394c-44e6-93e3-ca41732326d2.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.c594d63e-29c7-462a-b385-f70c6d7d8350.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.d74d0c01-8507-445b-bec1-f02bafbbfaab.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.e03635b0-a537-4a58-9f3e-c7114715e47d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.e701d53e-63fe-47f1-b727-39457c9207e6.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.eea867d0-285e-462d-94ab-15579c782be7.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.efddd28a-383d-4929-9335-22e54ba2ffbe.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.f36a9dbc-c34a-401f-8ea6-dc996d785edf.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.f6516937-6182-4dae-a39c-f94c0d72bf70.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/df_eigs.f7797f63-30ab-40e0-8ca6-042c9aa932b4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.00c757c4-3c99-4521-82b1-3e3a12d49854.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.01d526fb-276e-4369-85d4-66a553a1d02e.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.027490ba-34f9-4340-89ab-27fd110d2821.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.02d12f52-ff42-4adf-99b9-acada93cb96b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.0534fd24-c760-462e-b288-c3ea9fe721c8.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.0767fb16-25bd-4f1c-b134-6b536191b36e.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.07c9da30-e172-4183-a8af-301628b75f1c.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.09c3ddd5-0187-46e8-95c3-157c470cb69a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.0ddeaaab-a6ef-436b-8189-290afa6408ea.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.0ffd2489-0b50-49b6-9e6e-7607f14102a9.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.1235d3d0-2c41-4036-909c-807ed3c89d96.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.133ec573-3d06-4582-b2f5-8afe8be8dbe3.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.1661aaae-621a-430d-990a-bcbbbe270dfb.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.16f9288f-be7e-4f8a-ab09-0153263f83c7.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.19cf5a4d-e90f-4ab1-a062-b20089724a63.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.1a42101c-3c00-4105-8ed3-9275bf0d18db.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.1c5f7390-3d26-4730-addd-b0fbd7591169.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.1dc29784-ab7f-45a1-9821-31fea4363d74.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.2101e6fa-9fb3-4697-98be-25a4e0de2079.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.21abd0b3-b2cb-4a8a-812e-a8706542f429.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.22ab7092-61bb-401f-ac43-912ec10ea48b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.23aa47ca-9afe-4086-bd97-75de310e033e.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.243670ee-2d2e-4d90-abc1-16938a04a80b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.26a32758-4c43-4add-a12e-7273b2ddfd0e.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.26d2547c-96a4-400d-9528-9987ae6699b2.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.28a7820f-63fe-4920-aeec-a7ffe7e55d83.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.2b749f51-9ea9-41c4-9f67-e9c8334478c4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.2e1dab84-5b1a-4521-8d36-78117ab88bbd.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.3092dd74-660d-4c7a-9d43-16d1436e084b.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.31ade416-8bd1-4671-953c-c62f281cd96d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.379a0693-4ac3-4ff0-be33-7be3f6cad84f.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.3add17d8-cb86-4ae5-8474-96d272269d80.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.3b423f54-aa64-4331-a59b-d6c37de1fbb6.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.3b587c2c-9579-4c7b-8b3f-e00c69c42981.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.3c3967d4-17c1-4947-9465-b9223b01e694.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.3f1777dc-c493-4aa7-b3d1-6271d9bed459.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.42f8e26e-4707-41e4-8b0a-c099a8a4145c.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.44060124-8f2d-4a91-80a9-5a29f0f4f716.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.4412b7d6-86db-4616-9dd2-2c32ee02560f.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.444f3f27-904b-463f-b2f2-c92686c9637d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.4476d0ff-9618-4774-9619-e3f223249cea.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.459b2739-8810-4cd9-82c4-4285c36a0193.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.46967cfc-d867-40e8-bef0-9655c46cef29.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.46aea10c-d57f-4133-9837-3c57d474d9a2.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.47a5eadf-e31e-4c38-983f-8c75460463ea.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.4811297e-a8df-4150-9d4d-376fd0c6e9cd.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.48434e2f-f09e-474e-b98c-af180386a258.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.48512c28-04a3-4e3b-b6b2-3e4b654c1887.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.496aaf89-2cdf-43cf-8b25-246e915cc8b5.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.4c655f65-1899-469c-975a-a3caec750697.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.4ceb8edc-937e-4cb6-9e42-51b6760b2557.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.51f7d629-9a0e-4688-8562-59a5f0c0a404.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.52ddfe55-8758-448b-a6b1-3afdab85fdf4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.5373214f-f344-4bdb-8840-5acf3b4c07c2.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.53abfc75-37a3-440c-a023-6e4cbffecd6a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.5439a548-153b-4990-be12-f0e33c30fe63.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.55355f72-52f0-427d-b5ac-3b41666ca5fb.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.57793481-c847-4746-8241-ea949add5f87.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.598f7475-c056-4a46-8d20-5159c73e5d02.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.59fca8b4-25f4-44f7-b961-34d6a4037051.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.5b507b3d-b6fc-4e13-9586-06113819d99f.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.5de3dbbd-1d79-45c9-ac75-4140ae123baa.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.60c52c22-d27a-4544-8b9c-6022507611f9.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.65a71ea2-097e-472c-b96a-13ddf6a0962c.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.673dfe91-d90e-4ecd-8560-d6d74de11070.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.67acc90d-1a9e-49a7-98a1-8ca643dca272.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.68952c71-d281-40fa-bcd2-cb0352f70a89.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.68af0b80-3d27-4aba-84f9-bcdd30a9255b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.69a1826c-1bee-4855-8f5f-5df29035bfca.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.6bf3207c-664b-4ed3-8e74-82b42e277234.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.72343006-774e-4192-b481-fa840ed25573.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.727ab190-e399-4bb6-a9b3-20ae57789bac.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.73ae455f-a729-4fac-a626-5654b03c1ef5.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.75228927-fac3-4caf-9e09-1fdfe51098a3.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.760e312c-9982-486d-b50e-d9acb003aedc.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.7702bafa-2620-4d12-8ec6-e8c6246d385a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.7766bf7c-05db-4294-b125-6f0110aa9407.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.77c12db8-c32e-4f88-8552-9762a0fff763.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.781d0704-7a95-4183-9c50-cbdbd976884a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.79e71b3e-6364-4972-b4b3-07841fa8ba97.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.7be1766a-b3f7-4779-9a69-f4358645831b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.7db0f859-073f-46af-9325-016a67229a4b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.80298b55-8915-462f-8f20-e4332c94ed41.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.819ffa8e-51ee-4e78-aa07-17686d7a9488.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.83008296-5ec9-4af7-a03b-372025fad080.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.83f0f242-e184-4581-a77a-f019731d8a6f.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.8a8780b0-a0ba-4b7e-9847-589302123e86.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.8b6ad6f7-f004-4941-95b2-829eb3723c8d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.8fc9b179-ff7d-4402-b0cf-18ec074b211a.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.93698b08-3188-4961-b551-50ac2c1e62b3.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.950e31e2-142f-480b-b0d1-174381bdb64a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.95dec49b-7d4e-4889-9e31-97e21db7b329.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.96843098-e69d-4d1f-8a88-5b24826f7390.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.96ff0e22-a3ab-49f3-aee9-9a1886cbf850.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.98016425-092d-41a4-b397-9b4b237c582a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.9820e181-088a-4b00-8a14-8cafb952ccdd.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.987498ce-5b91-4df6-924c-82d4841c17c2.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.9c6f0876-5690-4391-a98c-0347d111257e.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.9cba211b-820c-4ad4-a050-336e8049e1c7.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.9da0b1fb-c6a5-4da5-b390-3920e3c26154.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.a2417602-4e97-4395-b3f0-1e29262c8053.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.a4b9a6bd-4479-44b2-b172-642f74396781.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.a7321b5d-4730-4ace-9ff8-734ec07f3fef.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.a83413fb-96e3-466e-910b-6d4bab7cdf1d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.ab244b36-ab52-4cce-b50a-2b04d8c548e7.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.aba33661-3ce8-4f28-824f-e98244906d94.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.ac269a87-2bc4-458e-8f4a-64f524c77044.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.af9d6a83-7898-4c13-80eb-a83a533ebf2d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.b0c72570-cf06-4ecc-ae64-52a65720c849.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.b57e3b82-2511-4c00-a850-f6aeba98b0b2.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.b71baf3c-d5f0-4f8d-aead-648ba69a058e.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.b9615d62-11ee-49f7-8df4-df94466b2211.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.b9a18106-c719-4d0c-af12-30ded772eb55.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.bae2da57-6a69-483e-95bc-b77f72ebfba8.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.bbbbba1c-868c-45a5-b16c-0c17536e83d8.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.bed1771c-394c-44e6-93e3-ca41732326d2.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.c21d87dd-9338-4498-8ed6-95b0dacd75b1.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.c288da42-cf53-4437-a310-24bf3e35e008.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.c37edb04-5163-4d5c-a54e-df5887f0d82e.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.c594d63e-29c7-462a-b385-f70c6d7d8350.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.cb60079d-5a30-4e3a-89d5-dbe95822df5e.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.cc2b3628-dc13-4a95-8765-37211a995068.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.cd31956d-bef5-4112-9959-510170644e72.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.cdae3a0c-d613-4375-ab65-7088244b54ef.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.cdf017c4-7c30-4274-9567-f5e55a6ba857.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.d3d8851e-f3df-490c-975a-467933bd9fa1.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.d74d0c01-8507-445b-bec1-f02bafbbfaab.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.d7bea809-6e34-49f8-8daf-8d728dd18268.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.d9341cde-90e8-4d1e-beb2-4e40246d31ce.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.d9707874-28d5-48b6-824e-a2e6c8753437.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.da21513f-c490-45e2-8ce9-1c7a511ca925.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.dc406285-bac1-4b99-afbf-06728b7d699b.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.dd869557-00f9-421f-ab39-faa9d8e05df2.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e03635b0-a537-4a58-9f3e-c7114715e47d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e10bd99a-435c-41cd-84f1-41bd67890fc7.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e2995852-9911-4021-a82f-5b14ddb2d5c8.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e304b6b5-b820-470d-a8b5-92d6354abd16.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e701d53e-63fe-47f1-b727-39457c9207e6.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e709c0b6-d851-47d2-b72a-f4da8479a772.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.e986eb83-6b9d-439e-85ca-a9b931eef4a2.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.ea55abec-8253-445d-85fa-914948b5e5a5.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.ee1c9912-bca9-42fa-a90d-421e9a26c785.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.eea867d0-285e-462d-94ab-15579c782be7.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.efaceb68-6fae-491a-bb90-1e3e3463f010.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.efddd28a-383d-4929-9335-22e54ba2ffbe.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.f1c78add-0e23-423a-bb96-f1370626aa47.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.f36a9dbc-c34a-401f-8ea6-dc996d785edf.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.f6516937-6182-4dae-a39c-f94c0d72bf70.bin  \n",
+      " extracting: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.f7797f63-30ab-40e0-8ca6-042c9aa932b4.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.f895f408-4aa7-47e2-a903-c26b963b399e.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.fdc83bd0-c9bd-47da-abee-99b743b36494.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/ham_features_df_eigs/double_factorized_eigs.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.bin  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/num_orbitals_cheat_sheet.csv  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/overlaps.csv  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/problem_instance_json_schema_validation_log.txt  \n",
+      "   creating: qb-gsee-benchmark-main/scripts/resource_estimate_files_20241210/\n",
+      "  inflating: qb-gsee-benchmark-main/scripts/resource_estimate_files_20241210/resource_estimate.gsee.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/resource_estimate_files_20241210/resource_estimate.gsee.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/resource_estimate_files_20241210/resource_estimate.gsee.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/resource_estimate_files_20241210/resource_estimate.gsee.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/resource_estimate_files_20241210/resource_estimate.gsee.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/resource_estimate_files_20241210/resource_estimate.gsee.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/resource_estimate_files_20241210/resource_estimate.gsee.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/resource_estimate_files_20241210/resource_estimate.gsee.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/solver_labels.DF QPE.f2d73e1f-3058-43c4-a634-b6c267c84ff1.csv  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/solver_labels.DMRG_Niagara_cluster_lowest_energy.16537433-9f4c-4eae-a65d-787dc3b35b59.csv  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/summary_csv_script_log.txt  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/validate_json_file.py  \n",
+      "  inflating: qb-gsee-benchmark-main/scripts/validate_schema.py  \n",
+      "  inflating: qb-gsee-benchmark-main/setup.cfg  \n",
+      "   creating: qb-gsee-benchmark-main/solution_files/\n",
+      "   creating: qb-gsee-benchmark-main/solution_files/LRE/\n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/127cfea5-8a7d-45a0-9012-949816a0b8d9_sol_b2432abc-02e2-44e9-aeef-c4f20665c4fa.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/162f41da-af43-427c-a8bc-ae9fa97ace95_sol_b2fe9dc9-5486-48a6-9489-5466291e511e.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/19cada59-64cc-466c-8809-782a4f574dcc_sol_3cfcc85b-dd93-43fc-9ee7-6987b1f14fca.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/1c3155e0-3679-4eff-bed0-57a1082672c3_sol_95ebcdc9-8baf-44c8-9c28-575d035055d9.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/208f2e50-2b56-4e72-815a-cba5cec1264c_sol_3708295d-6a32-44c0-a07e-0361483b05e5.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/3301a356-21a9-472b-8021-f02f4d2c9eec_sol_5386296a-665d-4979-aafa-ef91664a40d4.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/3aaf0bb4-b412-4746-922a-c380b4024d00_sol_d1efd182-6b09-4a34-a364-6587a82f2636.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/3d3b9e8a-7842-4ca1-bd82-eddb9804972d_sol_bb792130-d7b4-4e55-b344-4a7a170e3d8d.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/42958a3e-8b35-4992-acd8-6711848066c1_sol_9375248c-f487-42bd-9cc4-e42b1380ac32.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/586ce6a9-1876-459e-9b6c-be8bb1c4d1a5_sol_4641d3c2-fafc-4a2c-ba28-0a66164f3161.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/6d355019-13aa-41fc-a530-31d5f968ba22_sol_9d6afe6a-b21f-4f27-8bac-6b3a84dbbb29.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/766ba2da-e72a-4e03-a739-f97269026fc4_sol_41ac8979-4586-47eb-9af3-663984d10521.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/7ca1486c-06a5-47c1-b8ab-eab491ffc68b_sol_5da0a569-5201-499f-8cc0-902ee8f4c0a4.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13_sol_4c566b15-5426-470a-bf29-88f3daf3421d.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/892e3341-7186-44c6-9a1a-20f270ddc8b8_sol_a419cea6-e662-44fd-94f5-2132c0d68ebe.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/9b8083ab-ea59-47db-894c-95a0d2ba3cb6_sol_ab53f822-5faf-4079-ab42-4fcd3220a6a9.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/9bd9cde6-6daa-441a-984e-ae1c1c051e91_sol_a325ea70-cd43-4818-bce6-1c9c2567f50d.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/a0a07bfe-aac2-4d61-9425-009953899b3b_sol_cc8fbca9-bb5b-45cd-bb7c-d7258d0ebeea.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/a37c86c0-1937-4f05-83ab-08a5fd104b7e_sol_1efc114d-b7dc-4522-82ff-dbe89e0c24b9.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/b57eb979-5c09-4974-97b4-5862e109a1ae_sol_fce623e7-f97d-4be5-bfb1-ec84d00b940d.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8_sol_7b886fa9-393e-44d9-bed3-cc6c4d27c036.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8_sol_45627b50-7c73-45fc-afe9-982602a68ef7.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/d712afaf-6ec4-42d9-b5fd-1edee3ec1046_sol_3e6df5b3-6f29-475d-a941-19502c0e750c.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/e3e78b41-577d-4536-a63f-7e968eeb6493_sol_4f8dd273-db79-495c-b7bd-7e82dfd8de29.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/LRE/e48e7467-1fcd-478b-a599-f4ce881c57b9_sol_db512031-6365-43a4-b858-61bd218f539c.json  \n",
+      "   creating: qb-gsee-benchmark-main/solution_files/coarse_set/\n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/coarse_set/solution.benzene.f377cc27-366a-45af-b45a-c8478e4b6199_b0269f59-a298-4493-b032-a9df698bfa32.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/coarse_set/solution.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f_ff8fb42d-d490-4f58-b471-99fb50736c0d.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/coarse_set/solution.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8_adc74ef6-eb9d-4ba5-a1e5-5a25c5263cae.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/coarse_set/solution.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19_2b21a245-3415-42ef-a5ad-4c8326ce6772.json  \n",
+      "   creating: qb-gsee-benchmark-main/solution_files/homogeneous_catalysts/\n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/homogeneous_catalysts/solution.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b_51971cb4-5534-4c89-9af2-7107e96bf525.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/homogeneous_catalysts/solution.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f_b3bf6535-c884-4d6e-ab33-7ce64b52d8ed.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/homogeneous_catalysts/solution.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208_32aa9592-24d4-4e88-beb8-a674303d3cbf.json  \n",
+      "   creating: qb-gsee-benchmark-main/solution_files/planted_solutions/\n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d_80af8360-98b1-469f-bc69-904ce68c8e6c.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db_cdc6d859-4f3f-41fb-b8df-01ae046a0aa2.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e_bae8e17c-15c3-4eab-8190-f9e2b63c4137.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a_84e024e8-7a90-4e0d-a57c-063179d0ab4f.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13_448911fd-5f51-498b-a09d-148d1827ce00.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1_e6d3baeb-cd39-4f23-b729-e115498a5eb8.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00_f9657a63-eaa8-4959-bec6-6e87620856d1.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae_d880c6c5-52aa-40e2-a7a5-64231b52bc2f.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1_bd6b60f9-f129-491a-bfd1-8f706e3e7579.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8_0387d525-42f6-461b-8a3c-a2e56af8097f.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/planted_solutions/solution.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4_cbbb8ded-12c1-46ee-8f19-0a44517c4af4.json  \n",
+      "   creating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/\n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d_d987db4e-c6f0-49d2-b84d-d757e4d9fb89.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5_dea2a0f8-0034-4d28-8696-2780a90972da.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5_7e1781bc-a6f6-4957-bd79-328a4a5d5453.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d_0f8d6c9f-9797-4ae6-85a7-6c046bb18ef2.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4_173b6c36-56b5-4ba2-a7c9-e95efaacb25a.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107_d98ae184-d15c-4015-a5d7-928fc73aa554.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d_5c868a82-d706-4263-9109-c6921142d2f3.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd_86db3864-8133-4cdb-9e6e-2332b4ba337c.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d_80709d38-0667-4d50-a879-c5ea4024d51c.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.MnO_0.e2212cdf-adef-454a-b218-05041d723c55_76466874-aff8-486d-9a76-9ab732ab97ba.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4_35c9405b-59d6-46bd-8aec-701de3c1d64e.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6_58d3f47a-dd1c-45b0-9422-68f2bc49b43c.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95_a5143210-d773-4224-bccc-9f26e0015100.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046_1899d931-e955-4074-8bd1-eb6a1ea58df6.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.ScO_0.7437abf0-1394-47ce-9218-d181f1732112_f47f1bda-50ad-4043-8501-5b89fb922b57.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0_3ff33fa5-28ba-40b0-b6db-b614fe0b44c5.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7_688e6c60-f076-42b4-9128-1c902eeae3ce.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca_d52dbaf0-a187-416a-9a6f-de360e45bd86.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a_9a82f9a9-abb2-4152-9ec0-abc62109035b.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0_c38f04da-e055-4467-b7e0-5e1d87f6afc1.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6_08aeb616-2fa6-4038-ad2f-ac7d9f0f8138.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58_87834bb1-de7b-46d3-b30f-f66dfcb4d854.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98_50c4fc35-792a-40d8-b1d1-8459847ee61c.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.be_0.19cada59-64cc-466c-8809-782a4f574dcc_7b911c28-079a-4f75-9400-afe3ebfa123b.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7_469f0c7c-5519-4ebe-87ee-e72e679ae009.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42_7adc1d08-615e-43fb-aec1-f9a50c2f9b0e.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172_e65facdd-bb29-4d9b-a311-d70b4ba5de16.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b_80d05cc4-e083-4a6b-9546-0d35d39878fa.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a_024cb3af-f34e-4480-a98f-34c8cb9a9233.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4_3f5f549c-534f-43e1-94cf-71b1890b1c66.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3_0543bd7d-5478-42fa-9d6d-4d5d2f5d4854.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3_158fa1d2-cc88-4632-ba44-5d34ecbb2804.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7_87cd8354-86f2-46e8-8049-7e5ecaf8c61b.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269_fb756b97-6b23-41ca-a7fd-748d63c4e4c6.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493_03ed35dc-e6ff-4a9c-b6d0-ca6ea97a88d5.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876_e1fc87e4-69b9-486a-b1d2-85bb693efbbe.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776_1cb45dfa-4ea4-4ae9-b934-5b159f71c60a.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6_a769ec98-b0b3-498f-9ccf-0f314714fc80.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c_4e88c94c-dcc2-485d-b46b-82ad9b438416.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2_1b392c57-7736-4dac-a1b7-1195543ac7f4.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee_1356750c-f274-42ac-88c2-61207dd378ab.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e_427ad33d-ebca-494f-839b-d8ed2c18209f.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5_5a47a162-634c-4309-af6b-ee3d3223818d.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8_89cfaf89-73c3-4206-8d10-fd64514b0825.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b_9add0ac8-0880-4368-bab8-3119075ea3db.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec_da2f5ddf-2f5e-4526-8bdb-275b7151a7dc.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9_e56c64b7-8284-413e-8c7f-926ed46ab58f.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22_d0815c4b-54ef-412f-b960-b94c64624bb9.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91_08dea046-4561-42cf-9358-a907294c6874.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523_4c4be3d2-5709-4094-a0b1-6277cdc522ef.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9_2d52cd18-5020-4860-83b9-e2bf989283c2.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76_8381849d-0de0-4435-a415-b4ed38d517df.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88_66aa329b-6406-43d7-a390-30d8280625cc.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba_28abcef5-5b5e-46f1-9076-6318ba197caf.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57_41bd60b7-f2af-4590-8b96-3f19893499c4.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be_f1c38f7c-bcdc-4b6d-9041-7f9a87cf4f67.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095_c6b5147d-b5df-492e-8039-f09faf8b6995.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b_33fd92a7-820e-4717-affa-68200cdbd4de.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b_13e85cb8-18eb-4148-bb55-5ee14b15dd36.json  \n",
+      "  inflating: qb-gsee-benchmark-main/solution_files/small_molecules_transition_metals/solution.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3_85a10112-230f-474b-afad-eabb91d782ba.json  \n",
+      "   creating: qb-gsee-benchmark-main/src/\n",
+      "   creating: qb-gsee-benchmark-main/src/qb_gsee_benchmark/\n",
+      " extracting: qb-gsee-benchmark-main/src/qb_gsee_benchmark/__init__.py  \n",
+      "  inflating: qb-gsee-benchmark-main/src/qb_gsee_benchmark/qre.py  \n",
+      "  inflating: qb-gsee-benchmark-main/src/qb_gsee_benchmark/utils.py  \n",
+      "  inflating: qb-gsee-benchmark-main/summary.csv  \n",
+      "   creating: qb-gsee-benchmark-main/tests/\n",
+      "   creating: qb-gsee-benchmark-main/tests/qb_gsee_benchmark/\n",
+      "  inflating: qb-gsee-benchmark-main/tests/qb_gsee_benchmark/fcidump.h2_sto-3g  \n",
+      "  inflating: qb-gsee-benchmark-main/tests/qb_gsee_benchmark/test_qre.py  \n"
+     ]
+    }
+   ],
    "source": [
     "# Download problem instance files\n",
     "repository_filepath = Path(\"repository.zip\")\n",
@@ -46,6 +638,8 @@
     "    urllib.request.urlretrieve(repository_url, repository_filepath.name)\n",
     "    # unzip repository\n",
     "    os.system(f\"unzip {repository_filepath}\")\n",
+    "    # remove zip\n",
+    "    os.remove(repository_filepath)\n",
     "\n",
     "problem_instance_files_path = repository_path / problem_instance_files_repository_path\n",
     "instance_files = list(problem_instance_files_path.glob('problem_instance.*.json'))"
@@ -53,7 +647,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": 8,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -67,19 +661,13 @@
     "    \n",
     "    for task_data in json_data['tasks']:\n",
     "        features = dict(task_data['features'])\n",
-    "        #assert len(task_data['supporting_files']) == 1 \n",
-    "        #if len(task_data['supporting_files']) > 1:\n",
-    "        #    print(task_data['task_uuid'])\n",
-    "        #    print(f'Number of supporting files : {len(task_data[\"supporting_files\"])}')\n",
-    "        #    for sinfo in task_data['supporting_files']:\n",
-    "        #        print(sinfo)\n",
-    "        #    break\n",
     "        for sinfo in task_data['supporting_files']:\n",
     "            if 'fcidump' in sinfo['instance_data_object_url'] or 'FCIDUMP' in sinfo['instance_data_object_url']:\n",
     "                features = {**features, **sinfo}\n",
     "                break\n",
     "\n",
     "        if not 'instance_data_object_url' in features.keys():\n",
+    "            # Flag instances without FCIDUMP files\n",
     "            print(f'{task_data[\"task_uuid\"]} does not have an fcidump!')\n",
     "            print(task_data['supporting_files'])\n",
     "            print(10*'-')\n",
@@ -94,10 +682,15 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": 9,
    "metadata": {},
    "outputs": [],
    "source": [
+    "# Currently problem_instance json-s use two conventions to specify \n",
+    "# the number of electrons/orbitals for the problem: (avas_ne, avas_no)\n",
+    "# and (num_electrons, num_oribtals); this will be unified in the future;\n",
+    "# for now one needs to run the following code to do it manually\n",
+    "\n",
     "metadata_0 = pd.DataFrame(metadata.loc[~metadata.avas_ne.isna()])\n",
     "metadata_1 = pd.DataFrame(metadata.loc[metadata.avas_ne.isna()])\n",
     "metadata_0.drop(columns=['num_electrons', 'num_orbitals'], inplace=True)\n",
@@ -108,79 +701,19 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "Index(['molecule_name', 'geometry', 'basis_set', 'charge', 'multiplicity',\n",
-       "       'instance_data_object_uuid', 'instance_data_object_url',\n",
-       "       'instance_data_checksum', 'instance_data_checksum_type',\n",
-       "       'reference_energy', 'reference_energy_units', 'task_uuid',\n",
-       "       'utility_scale', 'software_used', 'avas_atomic_orbitals', 'avas_minao',\n",
-       "       'num_electrons', 'num_orbitals', 'nbasis', 'correlated_electrons'],\n",
-       "      dtype='object')"
-      ]
-     },
-     "execution_count": 6,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "metadata.columns"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 10,
    "metadata": {},
    "outputs": [],
    "source": [
-    "#metadata.loc[metadata['instance_data_object_url'].isna()]"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 8,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "['9030e9c9-0323-413c-a98e-aba16b180ba7', 'c7c653b0-4440-4a36-a66b-8b81a9a351c7', '82f35801-6276-4090-a9aa-b821d94708d4', '362386c9-f0c2-483e-a64d-52208ab9bbc1', '61ad4cfe-b057-4dd8-bd06-ed56347745c1', 'fc25a232-d249-4e1c-a9ec-360cab33f779', 'b99ec02f-b46a-43fe-8a87-1b3286e072d8', '8874bf11-f594-41df-b8a0-d2a7441904a1', '202e6184-1e7d-4c02-a82a-f588b6abf809', '7c8f0a36-cda5-4b33-bb46-4e58a15b37a1', 'cbab5937-5e2f-4f3f-819e-ede8b66d7238', 'c28e09e1-5983-42f7-9ecb-b271438ebcc8', '881f5275-83eb-470c-80fe-eebb7ced30e9', 'e0de65ed-e45e-46e0-a57b-c6ad4efbdafe', '6918e02b-1e04-40bf-a800-1c9ed100d261', 'a2ad41b8-37bb-44e1-be3e-df1052952e9c', 'b4968ccd-6711-4173-8f80-f16094b3e0cd', 'ee2925f1-a302-4c21-b33c-5cb30b10270f', 'b86457a4-abf4-43c9-9c08-2397e95b7c0f', '7148b36a-0571-4a41-9239-19a97339f68a']\n"
-     ]
-    }
-   ],
-   "source": [
+    "# This collects task_uuid-s for which metadata is either incomplete or non-standard\n",
+    "# (i.e., not properly formatted)\n",
     "task_uuid_incomp = metadata.loc[metadata.num_electrons.isna()]['task_uuid'].to_list()\n",
-    "print(task_uuid_incomp)"
+    "#print(task_uuid_incomp)"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "from utils import retrieve_fcidump_from_sftp\n",
-    "username = 'darpa-qb-zapata'\n",
-    "key_path = '/Users/akunitsa/.ssh/darpa-qb-zapata-key.ppk'\n",
-    "def process_fcidump(r):\n",
-    "    if r['task_uuid'] in task_uuid_incomp:\n",
-    "        #print(r['task_uuid'])\n",
-    "        #print(r['instance_data_object_url'])\n",
-    "        fci = retrieve_fcidump_from_sftp(r['instance_data_object_url'], username, key_path)\n",
-    "        return (fci['NELEC'], fci['NORB'], fci['MS2'] + 1)\n",
-    "    else:\n",
-    "        return (r['num_electrons'], r['num_orbitals'], r['multiplicity'])"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": 11,
    "metadata": {},
    "outputs": [
     {
@@ -231,117 +764,67 @@
     }
    ],
    "source": [
+    "# The following code completes the metadata (see above)\n",
+    "\n",
+    "username = 'darpa-qb-zapata' # username to access the sftp server with FCIDUMPs\n",
+    "key_path = '/Users/akunitsa/.ssh/darpa-qb-zapata-key.ppk' # private key \n",
+    "def process_fcidump(r):\n",
+    "    if r['task_uuid'] in task_uuid_incomp:\n",
+    "        #print(r['task_uuid'])\n",
+    "        #print(r['instance_data_object_url'])\n",
+    "        fci = retrieve_fcidump_from_sftp(r['instance_data_object_url'], username, key_path)\n",
+    "        return (fci['NELEC'], fci['NORB'], fci['MS2'] + 1)\n",
+    "    else:\n",
+    "        return (r['num_electrons'], r['num_orbitals'], r['multiplicity'])\n",
+    "    \n",
+    "\n",
     "metadata[['num_electrons', 'num_orbitals', 'multiplicity']] = metadata.apply(process_fcidump, axis=1, result_type='expand')"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "#metadata.multiplicity.unique()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 12,
+   "execution_count": 20,
    "metadata": {},
    "outputs": [],
    "source": [
-    "# We will exclude Cr2 instances here since their are not properly fromatted\n",
-    "#metadata = metadata.loc[~metadata.num_electrons.isna()]"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 13,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "                              task_uuid  \\\n",
-      "0  0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27   \n",
-      "\n",
-      "                                        solution_dir  \n",
-      "0  ../data/data_storage/V0_vdz_a1436084-b348-4c11...  \n"
-     ]
-    }
-   ],
-   "source": [
-    "mps_data_dir = Path('../data/data_storage/') # Location of MPSs;\n",
+    "mps_data_dir = Path('../../darpa-qb-dmrg-analysis/data/data_storage/') # Location of MPSs;\n",
+    "\n",
+    "# it is assumed that each MPS is assigned a dir postfixed with a corresponding task_uuid, i.e.,\n",
+    "# *_task_uuid; this is used to build a correspondence between solutions and task_uuid-s\n",
+    "\n",
     "list_of_solution_dirs = list(mps_data_dir.glob('*'))\n",
     "solution_paths = []\n",
     "for sol_dir in list_of_solution_dirs:\n",
     "    task_uuid = os.path.basename(sol_dir).split('_')[-1]\n",
     "    solution_paths.append({'task_uuid' : task_uuid, 'solution_dir' : sol_dir})\n",
     "sol_paths = pd.DataFrame(solution_paths)\n",
-    "print(sol_paths.head(1))"
+    "#print(sol_paths.head(1))"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 14,
+   "execution_count": 13,
    "metadata": {},
    "outputs": [],
    "source": [
+    "# If the list of overlaps exists in the scripts directory - \n",
+    "#  extract task_uuid-s for the processed MPSs\n",
+    "\n",
     "processed_uuids = []\n",
-    "if os.path.isfile('overlaps.csv'):\n",
-    "    data = pd.read_csv('overlaps.csv')\n",
+    "if os.path.isfile('../scripts/overlaps.csv'):\n",
+    "    data = pd.read_csv('../scripts/overlaps.csv')\n",
     "    processed_uuids = data['task_uuid'].to_list()"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 15,
+   "execution_count": 22,
    "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "../data/data_storage/38_1_ts_noncan_0_466245ef-7efa-480e-9724-1dcb4534b820_9da97ef6-4bad-4c82-8576-9b8e539a7ba8/mps_storage/dmrg_loop_027_ket_optimized\n",
-      "../data/data_storage/39_1_ts_noncan_0_4ded7042-dd68-4fa9-8e23-56d839c26910_f20db1b1-86e3-4ddf-96ff-a6d37f331935/mps_storage/dmrg_loop_033_ket_optimized\n",
-      "../data/data_storage/40_1_ts_noncan_0_05efedcd-ca71-4522-a5b9-8ffeb945fb78_742be33c-0982-4b06-b324-1d86242e28d9/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/41_1_ts_noncan_0_b1147cc6-f8d8-4fb3-a037-d6ed92203ccc_3b49563d-948a-4ecb-84a0-d3c0c2c0d217/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/42_1_star_noncan_0_9ca331da-b0f6-4bc8-8387-3fffc02d9672_950da653-13ce-4cd7-95d8-5045ab03d4bc/mps_storage/dmrg_loop_036_ket_optimized\n",
-      "../data/data_storage/43_1_star_noncan_0_881d2a46-e6b4-4fd5-bce4-b539222bf7ee_13821f5c-78a6-485c-9006-a17a234cde9f/mps_storage/dmrg_loop_048_ket_optimized\n",
-      "../data/data_storage/44_1_star_noncan_0_a847b2fc-f824-4b5c-9bd2-44e1756f94ca_765594e5-44ac-41a2-89a7-f2ac03536379/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/45_1_star_noncan_0_a66393b9-d8a6-4e8d-80c2-2563c8dc386d_858b9683-fc6c-4ebe-8c33-27f0d848f24f/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/46_2_noncan_0_27360f9a-f72a-49d7-88d4-61bd89d6864b_1a013e9f-7eab-4a1b-b486-1d9e2d99e754/mps_storage/dmrg_loop_034_ket_optimized\n",
-      "../data/data_storage/47_2_noncan_0_dcd290d7-2b84-4dc1-8495-9ce93fd18d28_001a0d11-165a-49c5-a334-643023029f40/mps_storage/dmrg_loop_048_ket_optimized\n",
-      "../data/data_storage/48_2_noncan_0_6b92aee0-7d64-45ce-be69-304e9af553cf_1c9508e3-b9fe-44f1-ae58-c6339ef43f47/mps_storage/dmrg_loop_048_ket_optimized\n",
-      "../data/data_storage/49_2_noncan_0_79074323-0867-487d-b3a5-ed33d086465d_6713517a-ab65-4381-aae1-0839dcd6c1a0/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/50_6acme_0_96b693e1-15d1-4540-b79a-6f1878517ec7_4970c526-817f-4c04-8d7e-797526d5948d/mps_storage/dmrg_loop_045_ket_optimized\n",
-      "../data/data_storage/51_6acme_0_8bf8dc58-83a5-4562-8617-bfd4af9be79c_d27fb590-4e90-4d5a-bdb8-37fbf22f528b/mps_storage/dmrg_loop_041_ket_optimized\n",
-      "../data/data_storage/52_6acme_0_7f152671-a086-4faa-8c28-3f0aebcf9eca_a7cd2501-2f67-4fcd-b428-f6620f3596fe/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/53_ts56_0_f4d3d5c0-3568-415a-b0b8-87367b1ad290_d3bcc63c-57ad-4346-8290-e36447186440/mps_storage/dmrg_loop_044_ket_optimized\n",
-      "../data/data_storage/54_ts56_0_230b1216-4020-41b8-8f38-cb6b3dcf0b72_41907f9f-923d-49e3-80a9-519962110ae7/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/55_ts56_0_4d052c14-9312-49be-b6a3-fa7fc9b8ddde_ad9ceeaf-d7be-46b7-95a9-15bfd33f5022/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/56_5_0_c3776fab-41b5-4f93-a540-5a34ed27b655_adecdd92-73c7-416d-90da-b7a3da7ed50b/mps_storage/dmrg_loop_046_ket_optimized\n",
-      "../data/data_storage/57_5_0_57cb548d-a577-4d18-b1af-70df2d5c8366_03c70feb-49b8-4113-831a-05e3ae55c66b/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/58_5_0_4fa5562c-efca-487e-b403-d43e5892fdc7_0e936335-6370-4587-92f0-02eafaf650ed/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/2_co2_0_c4c348aa-0911-4c04-af8c-ea2d50bea1aa_4357d5bb-ed2b-466a-947b-e868afb81d3d/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/7_melact_0_863f19af-d5e4-4438-bc27-d5923faafeb7_b164af91-a758-445c-8e78-610ffd2ad795/mps_storage/dmrg_loop_009_ket_optimized\n",
-      "../data/data_storage/8_melact_0_43d2f1ce-bea3-4e55-8360-6fc705864bc5_28bd4997-c04c-4914-9984-0101713041fe/mps_storage/dmrg_loop_015_ket_optimized\n",
-      "../data/data_storage/0_ru_macho_noncan_0_dc2860e1-5500-48b0-b2f3-92d12dd58eb4_dcf2b441-b297-4a89-ae18-5778ec2d674d/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/1_ru_macho_noncan_0_f8bc1bee-1ec4-4ddb-98d6-67e92cd6bc8f_6346b7fe-a4a5-4b10-a79b-706d4339923e/mps_storage/dmrg_loop_050_ket_optimized\n",
-      "../data/data_storage/3_ts_ru_macho_co2_noncan_0_d63dfeb6-5e42-4ce8-b717-bd40dd380dd4_68db6781-dd54-43c4-b667-7b754c4d5cdb/mps_storage/dmrg_loop_030_ket_optimized\n",
-      "../data/data_storage/4_ts_ru_macho_co2_noncan_0_4ab765e9-ec4e-488b-af97-525f78c8e5ca_d3ecd428-ee03-4d8b-aa14-af4d935781ed/mps_storage/dmrg_loop_045_ket_optimized\n",
-      "../data/data_storage/5_ts_ru_macho_melact_noncan_0_46bcecc2-b4a3-4112-95db-2cf1eee4cc03_89253c8f-0f01-4046-a138-1bada22f0a6a/mps_storage/dmrg_loop_024_ket_optimized\n",
-      "../data/data_storage/6_ts_ru_macho_melact_noncan_0_f76a72a4-532e-4e1e-9aa9-2a55caed341d_842d2152-2f91-4dce-b088-7ed26afb2381/mps_storage/dmrg_loop_045_ket_optimized\n",
-      "../data/data_storage/32_2ru_III_3pl_noncan_0_7876797c-3793-47e9-8f18-99d9a5af532b_5509795a-90ce-45d6-b03d-db956a5da5b2/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/33_2ru_III_3pl_noncan_0_371af149-e89d-487e-9903-e235e6d11af4_bc3520b5-bf25-4a43-892c-8d7e9a690fe2/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/34_3ruo_IV_2pl_noncan_0_8285ea97-55b9-41c7-b3dd-60b3eda15367_d937e005-3688-4138-9465-426798087395/mps_storage/dmrg_loop_013_ket_optimized\n",
-      "../data/data_storage/35_3ruo_IV_2pl_noncan_0_945a5ed1-42e5-49fc-8b85-09c2c91175df_ace55695-1ca9-4153-8fd4-55ed6658cf8c/mps_storage/dmrg_loop_049_ket_optimized\n",
-      "../data/data_storage/36_1ru_II_2pl_noncan_0_8fbc333c-1de7-47ac-bd7e-e7de1ddc4716_dab492c3-27fe-4ac3-8c98-de2563caf66c/mps_storage/first_preloop_calc_ket_optimized\n",
-      "../data/data_storage/37_1ru_II_2pl_noncan_0_70a17eb0-ba4e-4ec4-aebd-3d4506d46514_a475af8e-cb0b-4533-906d-a6b8eda313e7/mps_storage/dmrg_loop_034_ket_optimized\n"
-     ]
-    }
-   ],
+   "outputs": [],
    "source": [
+    "# Compute the overlaps and save occupation lists for the dominant\n",
+    "# CSFs; also, flag the problems for which MPSs are missing\n",
+    "\n",
     "overlap_data = []\n",
     "missing_solutions = []\n",
     "for index, row in metadata.iterrows():\n",
@@ -356,11 +839,11 @@
     "\n",
     "    path_to_solution = sol_paths.query(f'task_uuid == \"{task_uuid}\"') \n",
     "    if path_to_solution.empty:\n",
-    "        #print(full_path_to_solution['solution_dir'])\n",
-    "        #print(f'Solution not found for {row[\"task_uuid\"]}')\n",
     "        missing_solutions.append({'task_uuid' : task_uuid, 'molecule' : row['molecule_name']})\n",
     "        continue\n",
-    "    \n",
+    "\n",
+    "    # Use the following line to adjust the number of threads for the \n",
+    "    # OpenMP version of the block2 \n",
     "    driver = DMRGDriver(scratch=\"./tmp\", symm_type=SymmetryTypes.SU2, n_threads=4)\n",
     "    driver.initialize_system(\n",
     "        n_sites=int(n_cas),\n",
@@ -368,12 +851,9 @@
     "        spin=int(spin),\n",
     "    )\n",
     "    full_dir = path_to_solution['solution_dir'].item()/'mps_storage'\n",
-    "    #print(full_dir)\n",
     "    dmrg_loop_dir_lst = list(full_dir.glob(\"*\"))\n",
-    "    #print(dmrg_loop_dir_lst)\n",
-    "    assert len(dmrg_loop_dir_lst) == 1 # we should have just one solution per instance\n",
+    "    assert len(dmrg_loop_dir_lst) == 1 # we assume there is just one solution per instance\n",
     "    dmrg_loop_dir = dmrg_loop_dir_lst[0]\n",
-    "    print(dmrg_loop_dir)\n",
     "\n",
     "    assert os.path.isfile(dmrg_loop_dir/'mps_info.bin')\n",
     "\n",
@@ -391,7 +871,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 16,
+   "execution_count": 23,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -401,7 +881,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 17,
+   "execution_count": 24,
    "metadata": {},
    "outputs": [
     {
@@ -410,7 +890,7 @@
        "array(['be_cc-pVDZ', 'V1_vtz'], dtype=object)"
       ]
      },
-     "execution_count": 17,
+     "execution_count": 24,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -421,148 +901,22 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 18,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>task_uuid</th>\n",
-       "      <th>num_orbitals</th>\n",
-       "      <th>num_electrons</th>\n",
-       "      <th>hf_coeff</th>\n",
-       "      <th>csf</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>0</th>\n",
-       "      <td>9da97ef6-4bad-4c82-8576-9b8e539a7ba8</td>\n",
-       "      <td>18.0</td>\n",
-       "      <td>22.0</td>\n",
-       "      <td>0.736407</td>\n",
-       "      <td>[3, 3, 3, 3, 3, 3, 0, 0, 0, 0, 3, 1, 3, 3, 0, ...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>1</th>\n",
-       "      <td>f20db1b1-86e3-4ddf-96ff-a6d37f331935</td>\n",
-       "      <td>22.0</td>\n",
-       "      <td>30.0</td>\n",
-       "      <td>0.654199</td>\n",
-       "      <td>[1, 3, 3, 3, 3, 3, 0, 2, 3, 3, 0, 3, 0, 0, 0, ...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>2</th>\n",
-       "      <td>742be33c-0982-4b06-b324-1d86242e28d9</td>\n",
-       "      <td>34.0</td>\n",
-       "      <td>50.0</td>\n",
-       "      <td>0.252078</td>\n",
-       "      <td>[3, 3, 0, 3, 1, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>3</th>\n",
-       "      <td>3b49563d-948a-4ecb-84a0-d3c0c2c0d217</td>\n",
-       "      <td>36.0</td>\n",
-       "      <td>50.0</td>\n",
-       "      <td>0.179748</td>\n",
-       "      <td>[0, 3, 1, 0, 3, 0, 3, 3, 3, 3, 3, 3, 2, 3, 1, ...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>4</th>\n",
-       "      <td>950da653-13ce-4cd7-95d8-5045ab03d4bc</td>\n",
-       "      <td>18.0</td>\n",
-       "      <td>22.0</td>\n",
-       "      <td>0.540153</td>\n",
-       "      <td>[1, 3, 1, 0, 0, 0, 0, 3, 0, 3, 2, 3, 3, 3, 3, ...</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                              task_uuid  num_orbitals  num_electrons  \\\n",
-       "0  9da97ef6-4bad-4c82-8576-9b8e539a7ba8          18.0           22.0   \n",
-       "1  f20db1b1-86e3-4ddf-96ff-a6d37f331935          22.0           30.0   \n",
-       "2  742be33c-0982-4b06-b324-1d86242e28d9          34.0           50.0   \n",
-       "3  3b49563d-948a-4ecb-84a0-d3c0c2c0d217          36.0           50.0   \n",
-       "4  950da653-13ce-4cd7-95d8-5045ab03d4bc          18.0           22.0   \n",
-       "\n",
-       "   hf_coeff                                                csf  \n",
-       "0  0.736407  [3, 3, 3, 3, 3, 3, 0, 0, 0, 0, 3, 1, 3, 3, 0, ...  \n",
-       "1  0.654199  [1, 3, 3, 3, 3, 3, 0, 2, 3, 3, 0, 3, 0, 0, 0, ...  \n",
-       "2  0.252078  [3, 3, 0, 3, 1, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, ...  \n",
-       "3  0.179748  [0, 3, 1, 0, 3, 0, 3, 3, 3, 3, 3, 3, 2, 3, 1, ...  \n",
-       "4  0.540153  [1, 3, 1, 0, 0, 0, 0, 3, 0, 3, 2, 3, 3, 3, 3, ...  "
-      ]
-     },
-     "execution_count": 18,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "overlap_data_df.head()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 19,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "(36, 5)"
-      ]
-     },
-     "execution_count": 19,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "overlap_data_df.shape"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 20,
+   "execution_count": 27,
    "metadata": {},
    "outputs": [],
    "source": [
-    "overlap_data_df.rename(columns={'hf_coeff': 'overlap'}, inplace=True)\n",
-    "overlap_data_df[['overlap', 'task_uuid']].to_csv('overlaps_.csv', index=False)"
+    "if not overlap_data_df.empty:\n",
+    "    overlap_data_df.rename(columns={'hf_coeff': 'overlap'}, inplace=True)\n",
+    "    overlap_data_df = overlap_data_df[['overlap', 'task_uuid']]\n",
+    "    # Concatenate with the existing data frame\n",
+    "    overlap_data_df = pd.concat([data, overlap_data_df], axis=0)\n",
+    "    overlap_data_df.to_csv('overlaps.csv', index=False)"
    ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": []
   }
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "darpa",
+   "display_name": "l3h",
    "language": "python",
    "name": "python3"
   },
@@ -576,7 +930,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.9.18"
+   "version": "3.10.15"
   }
  },
  "nbformat": 4,

From 54983047fb7deab65d48c9399c3253a1f2b0e764 Mon Sep 17 00:00:00 2001
From: Max Radin <radin.max@gmail.com>
Date: Fri, 13 Dec 2024 17:16:50 -0500
Subject: [PATCH 20/25] Updating LRE script to avoid recalculating solution
 files

---
 scripts/compute_all_LREs_script.py | 39 ++++++++++++++++++++++++++++++
 1 file changed, 39 insertions(+)

diff --git a/scripts/compute_all_LREs_script.py b/scripts/compute_all_LREs_script.py
index 24dfd58..f84b489 100755
--- a/scripts/compute_all_LREs_script.py
+++ b/scripts/compute_all_LREs_script.py
@@ -226,6 +226,37 @@ def get_lqre(
 
     return results
 
+def get_solved_problem_uuids(config: dict[str, Any], output_dir: str) -> set[str]:
+    existing_output_files = os.listdir(args.output_dir)
+    print(output_dir)
+    print(existing_output_files)
+    logging.info(f"parsing {len(existing_output_files)} files in the output directory")
+    solved_problem_uuids = []
+    for s in existing_output_files:
+        with (open(os.path.join(args.output_dir, s), "r")) as f:
+            solution = json.load(f)
+            if (
+                solution["solver_details"]["solver_uuid"] == config["solver_uuid"]
+                and json.dumps(
+                    solution["solver_details"]["algorithm_details"][
+                        "algorithm_description"
+                    ],
+                    sort_keys=True,
+                )
+                == json.dumps(config["algorithm_description"], sort_keys=True)
+                and json.dumps(
+                    solution["solver_details"]["algorithm_details"][
+                        "algorithm_parameters"
+                    ],
+                    sort_keys=True,
+                )
+                == json.dumps(config["algorithm_parameters"], sort_keys=True)
+            ):
+                solved_problem_uuids.append(solution["problem_instance_uuid"])
+    logging.info(
+        f"found {len(solved_problem_uuids)} existing solutions for this solver."
+    )
+    return set(solved_problem_uuids)
 
 def main(args: argparse.Namespace) -> None:
 
@@ -243,12 +274,20 @@ def main(args: argparse.Namespace) -> None:
     for p in problem_instance_files:
         logging.info(f"file: {p}")
 
+    solved_problem_uuids = get_solved_problem_uuids(config, args.output_dir)
+
     for problem_instance_file_name in problem_instance_files:
         problem_instance_path = os.path.join(input_dir, problem_instance_file_name)
         logging.info(f"parsing {problem_instance_path}")
         with open(problem_instance_path, "r") as jf:
             problem_instance = json.load(jf)
 
+            if problem_instance["problem_instance_uuid"] in solved_problem_uuids:
+                logging.info(
+                    f"skipping {problem_instance['problem_instance_uuid']} because it already has a solution with the same solver UUID and algorithm details."
+                )
+                continue
+
             resource_estimate = get_lqre(
                 problem_instance, args.sftp_username, args.sftp_key_file, config=config
             )

From fdbc4e6cd256927a30415f46e4156dd41a72ce8b Mon Sep 17 00:00:00 2001
From: GitHub Action <action@github.com>
Date: Mon, 16 Dec 2024 13:39:58 +0000
Subject: [PATCH 21/25] Automatic problem_instance JSON Schema Validation

---
 scripts/problem_instance_json_schema_validation_log.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/scripts/problem_instance_json_schema_validation_log.txt b/scripts/problem_instance_json_schema_validation_log.txt
index 48ed4a6..09515b1 100644
--- a/scripts/problem_instance_json_schema_validation_log.txt
+++ b/scripts/problem_instance_json_schema_validation_log.txt
@@ -1,5 +1,5 @@
-Thu Dec 12 21:30:08 UTC 2024
-INFO:root:started at: 2024-12-12T21:30:09.016036
+Mon Dec 16 13:39:54 UTC 2024
+INFO:root:started at: 2024-12-16T13:39:54.913959
 INFO:root:input directory: ../problem_instances
 INFO:root:errored_files_directory file: ../json_files_with_errors
 INFO:root:parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json

From 1e2d08ee9af0c7de31271e376be833d71f660b39 Mon Sep 17 00:00:00 2001
From: "Penuel, John (US) - SAS" <John.Penuel@L3Harris.com>
Date: Mon, 16 Dec 2024 09:22:41 -0500
Subject: [PATCH 22/25] 229/230 Hamiltonian features completed.  Missing Ham
 from #71.

---
 .../Hamiltonian_features.csv                  |     36 +
 scripts/Hamiltonian_features.csv              |     30 +
 .../compute_all_ham_features_script.log.txt   | 162131 +--------------
 ...s.0c547725-1536-47b8-98f9-ed1384ceb939.bin |    Bin 0 -> 10544 bytes
 ...s.26e93a92-0fb0-43bf-9c8d-6b97eb974d27.bin |    Bin 0 -> 11568 bytes
 ...s.334dbd9d-2c13-4c76-8479-e82280065a02.bin |    Bin 0 -> 10272 bytes
 ...s.4bd40563-25e1-4334-bf15-3ccd36c05ab2.bin |    Bin 0 -> 12376 bytes
 ...s.4d93ba0f-4ad6-4107-b495-9284d226e13d.bin |    Bin 0 -> 10160 bytes
 ...s.4e3649dd-9050-4acc-93f6-a09c962e89d7.bin |    Bin 0 -> 11808 bytes
 ...s.57afbbf8-5819-4ee7-b540-95974b8a1a3f.bin |    Bin 0 -> 10968 bytes
 ...s.5b274001-6cd6-436f-995f-d460d33688da.bin |    Bin 0 -> 10984 bytes
 ...s.5f3af6fb-63d1-41cf-9e52-ea4fffcca51c.bin |    Bin 0 -> 12232 bytes
 ...s.677d97ee-5a46-4d49-82d6-ca3fc98a59a7.bin |    Bin 0 -> 9880 bytes
 ...s.7b8c2dbd-8966-4eb4-83af-8acb07454e8a.bin |    Bin 0 -> 9752 bytes
 ...s.7db2ffef-bfc4-4df3-b6a6-c3929e0bb978.bin |    Bin 0 -> 11384 bytes
 ...s.80214e7b-2e1f-440f-b9eb-ee9a16ed8398.bin |    Bin 0 -> 10336 bytes
 ...s.85c6b46a-59fe-4506-89d3-e6faec2383e2.bin |    Bin 0 -> 11704 bytes
 ...s.cfc29172-5c9c-4e13-9a31-17895ed89c95.bin |    Bin 0 -> 11704 bytes
 scripts/nohup.out                             |  57154 -----
 19 files changed, 67 insertions(+), 219284 deletions(-)
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.0c547725-1536-47b8-98f9-ed1384ceb939.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.26e93a92-0fb0-43bf-9c8d-6b97eb974d27.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.334dbd9d-2c13-4c76-8479-e82280065a02.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.4bd40563-25e1-4334-bf15-3ccd36c05ab2.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.4d93ba0f-4ad6-4107-b495-9284d226e13d.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.4e3649dd-9050-4acc-93f6-a09c962e89d7.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.57afbbf8-5819-4ee7-b540-95974b8a1a3f.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.5b274001-6cd6-436f-995f-d460d33688da.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.5f3af6fb-63d1-41cf-9e52-ea4fffcca51c.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.677d97ee-5a46-4d49-82d6-ca3fc98a59a7.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.7b8c2dbd-8966-4eb4-83af-8acb07454e8a.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.7db2ffef-bfc4-4df3-b6a6-c3929e0bb978.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.80214e7b-2e1f-440f-b9eb-ee9a16ed8398.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.85c6b46a-59fe-4506-89d3-e6faec2383e2.bin
 create mode 100644 scripts/ham_features_df_eigs/double_factorized_eigs.cfc29172-5c9c-4e13-9a31-17895ed89c95.bin
 delete mode 100644 scripts/nohup.out

diff --git a/Hamiltonian_features/experimental/fast_double_factorization_features/Hamiltonian_features.csv b/Hamiltonian_features/experimental/fast_double_factorization_features/Hamiltonian_features.csv
index fa2385d..707ca8f 100644
--- a/Hamiltonian_features/experimental/fast_double_factorization_features/Hamiltonian_features.csv
+++ b/Hamiltonian_features/experimental/fast_double_factorization_features/Hamiltonian_features.csv
@@ -24451,3 +24451,39 @@ max_vertex_degree,min_vertex_degree,mean_vertex_degree,std_dev_vertex_degree,one
  7.98215146e+00 2.69617043e+01]",f377cc27-366a-45af-b45a-c8478e4b6199,benzene,7148b36a-0571-4a41-9239-19a97339f68a,96ff0e22-a3ab-49f3-aee9-9a1886cbf850,FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850,sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz,2024-12-09 04:43:01.935056,1,12922.967098
 3647446,209596,2917133.7454545456,964820.5708388989,4654.171667336264,12.062771049790696,1.0008599497988744e-08,0.0006641661700353891,0.036051144484199854,110,1,45.79134278343859,21.807610406065415,7007542,10.66818337640431,6,110,1243,10.006228718616667,"[1.00977217e-08 1.00977217e-08 1.09885398e-08 ... 2.68945722e+00
  9.10213918e+00 1.91083679e+01]",3301a356-21a9-472b-8021-f02f4d2c9eec,li2_0,aaa24a30-ade6-44a6-b6aa-51bf54c31eef,6224abe8-831e-4b52-b8d9-8ebac0a35c2b,fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz,2024-12-09 07:14:05.546495,1,9027.198926
+7159092,376488,5698441.236363636,1864928.856748745,7768.980822660027,56.12926296132025,1.0001701075136077e-08,0.0005691396346159809,0.05930945205306858,110,1,45.920175643268934,21.767594687995103,13650396,18.661578768348896,12,110,1245,37.32481197758421,"[1.02717420e-08 1.02717420e-08 1.10992092e-08 ... 9.10464534e+00
+ 1.34583281e+01 5.07831401e+01]",e48e7467-1fcd-478b-a599-f4ce881c57b9,li_f_0,0485949f-722c-49ee-a748-eec54801f021,2294b211-7a05-445e-810d-4c1706e1444c,fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz,2024-12-09 15:28:45.172143,1,17815.055222
+3951878,214464,3149376.345454545,1047993.0148814009,13215.929822164011,56.246524373861696,1.0004980321163311e-08,0.0017390102118925355,0.10629293281171391,110,1,45.58496806117622,21.622880318084743,7599686,25.333659166989584,18,110,1219,19.525371957390092,"[1.02463913e-08 1.04283905e-08 1.04283905e-08 ... 1.05819161e+01
+ 3.91547198e+01 5.86800917e+01]",e3e78b41-577d-4536-a63f-7e968eeb6493,f2_0,fa8e83f2-cec5-4609-9b77-d713608a6b53,29d645f8-ce30-4e18-9f41-644ac5f9d922,fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz,2024-12-09 20:16:59.015110,1,17154.716681
+3651136,210658,2922864.1636363636,966857.1042118284,11993.683154086802,41.05845740741163,1.0152626955644824e-08,0.0017096842836585762,0.09330359090657832,110,1,45.8315627118185,21.77534610184194,7015146,21.005449366917944,14,110,1325,24.27344092255396,"[1.05383187e-08 1.05383187e-08 1.07892157e-08 ... 8.16719087e+00
+ 2.57350537e+01 5.00084946e+01]",9bd9cde6-6daa-441a-984e-ae1c1c051e91,n2_0,9eed79e4-b195-4474-b280-fe9166a7a241,e84ef191-bfe0-4859-96b9-0613cad743d4,fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz,2024-12-10 00:36:39.218633,1,15465.010171
+7253550,403084,5795566.909090909,1911867.7262447674,11005.222419633224,48.68347856055349,1.002253300279543e-08,0.0007899174561650337,0.06543279940790384,110,1,45.758470159272996,21.662999620711396,13932118,21.005449366917944,14,110,1318,25.99828898031916,"[1.00213831e-08 1.00213840e-08 1.02126481e-08 ... 8.77272351e+00
+ 2.43884933e+01 5.03867823e+01]",1c3155e0-3679-4eff-bed0-57a1082672c3,c_o_0,7ea61c79-c0e5-453b-8fd0-b176cb8821a7,0c547725-1536-47b8-98f9-ed1384ceb939,fcidump.c_o_cc-pVQZ.0c547725-1536-47b8-98f9-ed1384ceb939,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVQZ.0c547725-1536-47b8-98f9-ed1384ceb939.gz,2024-12-11 13:18:00.168088,1,16685.833886
+8024952,271222,6337887.2105263155,2144015.783351953,8279.259231669745,46.884931820395565,1.0001587994430494e-08,0.0005385181420210479,0.05215125678427242,114,1,46.99571000701112,22.303923930329756,15374152,29.61704759629242,22,114,1292,24.886411650707785,"[1.00764708e-08 1.00764708e-08 1.05585377e-08 ... 9.53769143e+00
+ 2.18566653e+01 4.67430770e+01]",68f1a091-8652-4095-ba31-56f0e02e27d3,si_o_0,cca08104-f5f6-407f-9c62-faadc8f29bec,80214e7b-2e1f-440f-b9eb-ee9a16ed8398,fcidump.si_o_cc-pVQZ.80214e7b-2e1f-440f-b9eb-ee9a16ed8398,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVQZ.80214e7b-2e1f-440f-b9eb-ee9a16ed8398.gz,2024-12-11 18:48:45.085519,1,19706.765246
+5597621,377751,4527703.1913043475,1435865.918663365,13404.538557759557,51.08759494519767,1.0004094516838393e-08,0.001238745652944405,0.08153094662533736,115,1,48.1178334872616,22.915188393416862,10821059,16.372081781165438,10,115,1446,33.17289766768451,"[1.00346543e-08 1.00826665e-08 1.02161524e-08 ... 1.65455502e+01
+ 1.88291401e+01 5.20020378e+01]",9b8083ab-ea59-47db-894c-95a0d2ba3cb6,h2_o_0,5e576716-0df8-4712-8f03-ea1ac3808e35,26e93a92-0fb0-43bf-9c8d-6b97eb974d27,fcidump.h2_o_cc-pVQZ.26e93a92-0fb0-43bf-9c8d-6b97eb974d27,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVQZ.26e93a92-0fb0-43bf-9c8d-6b97eb974d27.gz,2024-12-11 22:56:42.877193,1,14787.092151
+5599299,379629,4529987.243478261,1435502.0282685084,13469.664298270432,34.55519089108073,1.0000221787499837e-08,0.0012444917439512308,0.06856039572529199,115,1,48.13157432775907,22.930095955725932,10823427,13.679375832264158,8,115,1423,24.990821587075946,"[1.00829077e-08 1.01683290e-08 1.02071499e-08 ... 1.60584838e+01
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diff --git a/scripts/Hamiltonian_features.csv b/scripts/Hamiltonian_features.csv
index 33ec9d7..707ca8f 100644
--- a/scripts/Hamiltonian_features.csv
+++ b/scripts/Hamiltonian_features.csv
@@ -24457,3 +24457,33 @@ max_vertex_degree,min_vertex_degree,mean_vertex_degree,std_dev_vertex_degree,one
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+ 2.19238778e+01 3.61148549e+01]",2e61ba35-b6b0-42b5-b3e8-d25bd83145ba,p2_0,e61df0de-0a97-4204-9fb9-3995c30d7999,334dbd9d-2c13-4c76-8479-e82280065a02,fcidump.p2_cc-pVQZ.334dbd9d-2c13-4c76-8479-e82280065a02,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVQZ.334dbd9d-2c13-4c76-8479-e82280065a02.gz,2024-12-14 04:25:07.118267,1,77535.449696
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+ 1.67349362e+01 3.26420344e+01]",5524b5e5-adba-4322-9808-69e75e4335b2,h3_c_o_h_0,7ecc9a42-2b18-4179-81ec-583598fa579b,5f3af6fb-63d1-41cf-9e52-ea4fffcca51c,fcidump.h3_c_o_h_cc-pVTZ.5f3af6fb-63d1-41cf-9e52-ea4fffcca51c,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVTZ.5f3af6fb-63d1-41cf-9e52-ea4fffcca51c.gz,2024-12-14 15:24:46.800248,1,39323.255839
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+ 1.77708616e+01 3.48605815e+01]",a0a07bfe-aac2-4d61-9425-009953899b3b,si_h2_singlet_0,50de76ad-110a-4c09-836a-64cc60c87f9a,5b274001-6cd6-436f-995f-d460d33688da,fcidump.si_h2_singlet_cc-pVQZ.5b274001-6cd6-436f-995f-d460d33688da,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVQZ.5b274001-6cd6-436f-995f-d460d33688da.gz,2024-12-14 20:28:06.539757,1,18024.58915
+5123739,285013,4131221.8592592594,1322353.2727415708,14996.901475436287,45.2030804784997,1.0001497275169427e-08,0.0015051550645517621,0.11521761615698202,135,1,55.974728142941395,26.89485409983383,9963693,19.681192149489963,13,135,1476,59.207273292818826,"[1.16950939e-08 1.20439156e-08 1.20439164e-08 ... 1.17451032e+01
+ 1.17451032e+01 7.09523765e+01]",02a8c4e9-9d15-4742-b4cc-7f47f69da0e5,Cr_1,e604a906-55fa-4b3f-bf17-c24a30312b84,4e3649dd-9050-4acc-93f6-a09c962e89d7,fcidump.Cr1_vqz.4e3649dd-9050-4acc-93f6-a09c962e89d7,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vqz.4e3649dd-9050-4acc-93f6-a09c962e89d7.gz,2024-12-15 06:12:26.689314,1,34742.258738
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+ 9.72430673e+00 5.79232093e+01]",67f72316-2262-44fb-8c0a-e159e1cd0cf0,Sc_0,96c6a0d7-8a1e-4189-a934-833b80ade346,85c6b46a-59fe-4506-89d3-e6faec2383e2,fcidump.Sc0_vqz.85c6b46a-59fe-4506-89d3-e6faec2383e2,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vqz.85c6b46a-59fe-4506-89d3-e6faec2383e2.gz,2024-12-15 13:26:47.335743,1,25833.543007
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+ 9.72430673e+00 5.79232093e+01]",c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7,Sc_1,10119019-eea2-45c9-a748-e206780c4235,cfc29172-5c9c-4e13-9a31-17895ed89c95,fcidump.Sc1_vqz.cfc29172-5c9c-4e13-9a31-17895ed89c95,sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vqz.cfc29172-5c9c-4e13-9a31-17895ed89c95.gz,2024-12-15 18:44:25.504841,1,18885.216688
diff --git a/scripts/compute_all_ham_features_script.log.txt b/scripts/compute_all_ham_features_script.log.txt
index cf415a6..c6cac69 100644
--- a/scripts/compute_all_ham_features_script.log.txt
+++ b/scripts/compute_all_ham_features_script.log.txt
@@ -1,162130 +1 @@
-2024-12-03 07:49:23,086 - INFO - ===============================================
-2024-12-03 07:49:23,087 - INFO - overall start time: 2024-12-03 07:49:23.086931
-2024-12-03 07:49:23,087 - INFO - input directory: ../problem_instances/
-2024-12-03 07:49:23,087 - INFO - Hamiltonian features file: Hamiltonian_features.csv
-2024-12-03 07:49:23,087 - INFO - creating back up file Hamiltonian_features.csv.backup-2024-12-03-07-49.csv.
-2024-12-03 07:49:23,088 - INFO - parsing 82 files in the input directory
-2024-12-03 07:49:23,089 - INFO - file: problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 07:49:23,089 - INFO - file: problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 07:49:23,089 - INFO - file: problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 07:49:23,089 - INFO - file: problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 07:49:23,089 - INFO - file: problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 07:49:23,089 - INFO - file: problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 07:49:23,089 - INFO - file: problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 07:49:23,089 - INFO - file: problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 07:49:23,090 - INFO - file: problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 07:49:23,090 - INFO - file: problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 07:49:23,090 - INFO - file: problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 07:49:23,090 - INFO - file: problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 07:49:23,090 - INFO - file: problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 07:49:23,090 - INFO - file: problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 07:49:23,090 - INFO - file: problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 07:49:23,090 - INFO - file: problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 07:49:23,090 - INFO - file: problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 07:49:23,091 - INFO - file: problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 07:49:23,091 - INFO - file: problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 07:49:23,091 - INFO - file: problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 07:49:23,091 - INFO - file: problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 07:49:23,091 - INFO - file: problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 07:49:23,091 - INFO - file: problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 07:49:23,091 - INFO - file: problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 07:49:23,091 - INFO - file: problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 07:49:23,092 - INFO - file: problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 07:49:23,092 - INFO - file: problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 07:49:23,092 - INFO - file: problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 07:49:23,092 - INFO - file: problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 07:49:23,092 - INFO - file: problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 07:49:23,092 - INFO - file: problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 07:49:23,092 - INFO - file: problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 07:49:23,092 - INFO - file: problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 07:49:23,092 - INFO - file: problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 07:49:23,093 - INFO - file: problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 07:49:23,093 - INFO - file: problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 07:49:23,093 - INFO - file: problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 07:49:23,093 - INFO - file: problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 07:49:23,093 - INFO - file: problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 07:49:23,093 - INFO - file: problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 07:49:23,093 - INFO - file: problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 07:49:23,093 - INFO - file: problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 07:49:23,093 - INFO - file: problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 07:49:23,094 - INFO - file: problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 07:49:23,094 - INFO - file: problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 07:49:23,094 - INFO - file: problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 07:49:23,094 - INFO - file: problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 07:49:23,094 - INFO - file: problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 07:49:23,094 - INFO - file: problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 07:49:23,094 - INFO - file: problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 07:49:23,094 - INFO - file: problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 07:49:23,095 - INFO - file: problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 07:49:23,095 - INFO - file: problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 07:49:23,095 - INFO - file: problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 07:49:23,095 - INFO - file: problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 07:49:23,095 - INFO - file: problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 07:49:23,095 - INFO - file: problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 07:49:23,095 - INFO - file: problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 07:49:23,095 - INFO - file: problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 07:49:23,095 - INFO - file: problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 07:49:23,096 - INFO - file: problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 07:49:23,096 - INFO - file: problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 07:49:23,096 - INFO - file: problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 07:49:23,096 - INFO - file: problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 07:49:23,096 - INFO - file: problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 07:49:23,096 - INFO - file: problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 07:49:23,096 - INFO - file: problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 07:49:23,096 - INFO - file: problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 07:49:23,096 - INFO - file: problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 07:49:23,097 - INFO - file: problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 07:49:23,097 - INFO - file: problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 07:49:23,097 - INFO - file: problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 07:49:23,097 - INFO - file: problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 07:49:23,097 - INFO - file: problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 07:49:23,097 - INFO - file: problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 07:49:23,097 - INFO - file: problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 07:49:23,097 - INFO - file: problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 07:49:23,098 - INFO - file: problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 07:49:23,098 - INFO - file: problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 07:49:23,098 - INFO - file: problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 07:49:23,098 - INFO - file: problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 07:49:23,098 - INFO - file: problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 07:49:23,100 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 07:49:23,100 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 07:49:23,100 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 07:49:23,101 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,101 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 07:49:23,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,102 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,104 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,104 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 07:49:23,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 07:49:23,104 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 07:49:23,110 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,110 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,110 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 07:49:23,110 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 07:49:23,110 - INFO - problem_instance short name: ScO_0
-2024-12-03 07:49:23,110 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,110 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 07:49:23,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,112 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,112 - INFO - moving on ...
-2024-12-03 07:49:23,112 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 07:49:23,112 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 07:49:23,112 - INFO - problem_instance short name: h2_s_0
-2024-12-03 07:49:23,112 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,112 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 07:49:23,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,114 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,114 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,114 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,114 - INFO - moving on ...
-2024-12-03 07:49:23,114 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 07:49:23,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,115 - INFO - number of orbitals:  119
-2024-12-03 07:49:23,115 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,115 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,115 - INFO - moving on ...
-2024-12-03 07:49:23,115 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 07:49:23,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,116 - INFO - number of orbitals:  62
-2024-12-03 07:49:23,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,117 - INFO - moving on ...
-2024-12-03 07:49:23,117 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 07:49:23,117 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 07:49:23,117 - INFO - problem_instance short name: Fe_1
-2024-12-03 07:49:23,117 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,117 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 07:49:23,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,118 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,118 - INFO - moving on ...
-2024-12-03 07:49:23,118 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 07:49:23,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,120 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,120 - INFO - moving on ...
-2024-12-03 07:49:23,120 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 07:49:23,120 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 07:49:23,120 - INFO - problem_instance short name: cr_dimer
-2024-12-03 07:49:23,120 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,120 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 07:49:23,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,121 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,122 - INFO - number of orbitals:  18
-2024-12-03 07:49:23,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,122 - INFO - moving on ...
-2024-12-03 07:49:23,122 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 07:49:23,122 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,123 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,123 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,124 - INFO - number of orbitals:  26
-2024-12-03 07:49:23,124 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,124 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,124 - INFO - moving on ...
-2024-12-03 07:49:23,124 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 07:49:23,124 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,124 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,124 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,126 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,126 - INFO - moving on ...
-2024-12-03 07:49:23,126 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 07:49:23,126 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,126 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,128 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,128 - INFO - moving on ...
-2024-12-03 07:49:23,128 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 07:49:23,128 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,128 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,129 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,130 - INFO - number of orbitals:  18
-2024-12-03 07:49:23,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,130 - INFO - moving on ...
-2024-12-03 07:49:23,130 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 07:49:23,130 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,130 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,130 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,132 - INFO - number of orbitals:  26
-2024-12-03 07:49:23,132 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,132 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,132 - INFO - moving on ...
-2024-12-03 07:49:23,132 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 07:49:23,132 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,132 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,132 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,134 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,134 - INFO - moving on ...
-2024-12-03 07:49:23,134 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 07:49:23,134 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,134 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,134 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,136 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,136 - INFO - moving on ...
-2024-12-03 07:49:23,136 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 07:49:23,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,137 - INFO - number of orbitals:  18
-2024-12-03 07:49:23,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,138 - INFO - moving on ...
-2024-12-03 07:49:23,138 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 07:49:23,138 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,138 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,138 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,139 - INFO - number of orbitals:  26
-2024-12-03 07:49:23,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,139 - INFO - moving on ...
-2024-12-03 07:49:23,139 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 07:49:23,139 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,140 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,140 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,141 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,141 - INFO - moving on ...
-2024-12-03 07:49:23,141 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 07:49:23,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,142 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,143 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,143 - INFO - moving on ...
-2024-12-03 07:49:23,143 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 07:49:23,144 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 07:49:23,144 - INFO - problem_instance short name: ru_mono
-2024-12-03 07:49:23,144 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,144 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 07:49:23,144 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,144 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,144 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,145 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,146 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,146 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 07:49:23,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 07:49:23,146 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 07:49:23,150 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,150 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,150 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 07:49:23,150 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,150 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,150 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,152 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,152 - INFO - moving on ...
-2024-12-03 07:49:23,152 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 07:49:23,152 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,152 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,152 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,154 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,154 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,154 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 07:49:23,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 07:49:23,154 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 07:49:23,158 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,158 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,158 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 07:49:23,158 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,158 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,159 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,160 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,160 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,160 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,160 - INFO - moving on ...
-2024-12-03 07:49:23,160 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 07:49:23,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,162 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,162 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,162 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 07:49:23,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 07:49:23,162 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 07:49:23,166 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,166 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,166 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 07:49:23,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,167 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,167 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,168 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,168 - INFO - moving on ...
-2024-12-03 07:49:23,168 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 07:49:23,169 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 07:49:23,169 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 07:49:23,169 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,169 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 07:49:23,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,170 - INFO - number of orbitals:  47
-2024-12-03 07:49:23,170 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,170 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,170 - INFO - moving on ...
-2024-12-03 07:49:23,170 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 07:49:23,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,171 - INFO - number of orbitals:  106
-2024-12-03 07:49:23,171 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,171 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,171 - INFO - moving on ...
-2024-12-03 07:49:23,171 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 07:49:23,171 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 07:49:23,171 - INFO - problem_instance short name: h_f_0
-2024-12-03 07:49:23,171 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,171 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 07:49:23,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,173 - INFO - number of orbitals:  19
-2024-12-03 07:49:23,173 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,173 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,173 - INFO - moving on ...
-2024-12-03 07:49:23,173 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 07:49:23,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,174 - INFO - number of orbitals:  85
-2024-12-03 07:49:23,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,174 - INFO - moving on ...
-2024-12-03 07:49:23,174 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 07:49:23,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,175 - INFO - number of orbitals:  44
-2024-12-03 07:49:23,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,175 - INFO - moving on ...
-2024-12-03 07:49:23,175 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 07:49:23,175 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 07:49:23,175 - INFO - problem_instance short name: MnO_0
-2024-12-03 07:49:23,176 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,176 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 07:49:23,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,177 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,177 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,177 - INFO - moving on ...
-2024-12-03 07:49:23,177 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 07:49:23,177 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 07:49:23,177 - INFO - problem_instance short name: CrO_0
-2024-12-03 07:49:23,177 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,177 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 07:49:23,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,178 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,178 - INFO - moving on ...
-2024-12-03 07:49:23,179 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 07:49:23,179 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 07:49:23,179 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 07:49:23,179 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,179 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 07:49:23,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,180 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,180 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,180 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 07:49:23,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 07:49:23,180 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 07:49:23,184 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,185 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,185 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 07:49:23,185 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 07:49:23,185 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 07:49:23,185 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,185 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 07:49:23,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,186 - INFO - number of orbitals:  48
-2024-12-03 07:49:23,186 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,186 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,186 - INFO - moving on ...
-2024-12-03 07:49:23,187 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 07:49:23,187 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 07:49:23,187 - INFO - problem_instance short name: na_cl_0
-2024-12-03 07:49:23,187 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,187 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 07:49:23,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,188 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,188 - INFO - moving on ...
-2024-12-03 07:49:23,188 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 07:49:23,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,189 - INFO - number of orbitals:  118
-2024-12-03 07:49:23,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,189 - INFO - moving on ...
-2024-12-03 07:49:23,189 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 07:49:23,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,191 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,191 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,191 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,191 - INFO - moving on ...
-2024-12-03 07:49:23,191 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 07:49:23,191 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 07:49:23,191 - INFO - problem_instance short name: c_s_0
-2024-12-03 07:49:23,191 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,191 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 07:49:23,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,193 - INFO - number of orbitals:  32
-2024-12-03 07:49:23,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,193 - INFO - moving on ...
-2024-12-03 07:49:23,193 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 07:49:23,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,194 - INFO - number of orbitals:  64
-2024-12-03 07:49:23,194 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,194 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,194 - INFO - moving on ...
-2024-12-03 07:49:23,194 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 07:49:23,194 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 07:49:23,194 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 07:49:23,194 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,194 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 07:49:23,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,196 - INFO - number of orbitals:  37
-2024-12-03 07:49:23,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,196 - INFO - moving on ...
-2024-12-03 07:49:23,196 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 07:49:23,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,197 - INFO - number of orbitals:  78
-2024-12-03 07:49:23,197 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,197 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,197 - INFO - moving on ...
-2024-12-03 07:49:23,197 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 07:49:23,197 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 07:49:23,197 - INFO - problem_instance short name: FeO_0
-2024-12-03 07:49:23,198 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,198 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 07:49:23,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,199 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,199 - INFO - moving on ...
-2024-12-03 07:49:23,199 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 07:49:23,199 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 07:49:23,199 - INFO - problem_instance short name: Sc_1
-2024-12-03 07:49:23,199 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,199 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 07:49:23,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,201 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,201 - INFO - moving on ...
-2024-12-03 07:49:23,201 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 07:49:23,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,202 - INFO - number of orbitals:  135
-2024-12-03 07:49:23,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,202 - INFO - moving on ...
-2024-12-03 07:49:23,202 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 07:49:23,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,203 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,203 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,203 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,203 - INFO - moving on ...
-2024-12-03 07:49:23,203 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 07:49:23,203 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 07:49:23,204 - INFO - problem_instance short name: VO_0
-2024-12-03 07:49:23,204 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,204 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 07:49:23,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,205 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,205 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,205 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,205 - INFO - moving on ...
-2024-12-03 07:49:23,205 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 07:49:23,205 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 07:49:23,205 - INFO - problem_instance short name: s_o2_0
-2024-12-03 07:49:23,205 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,205 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 07:49:23,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,206 - INFO - number of orbitals:  46
-2024-12-03 07:49:23,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,207 - INFO - moving on ...
-2024-12-03 07:49:23,207 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 07:49:23,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,208 - INFO - number of orbitals:  94
-2024-12-03 07:49:23,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,208 - INFO - moving on ...
-2024-12-03 07:49:23,208 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 07:49:23,208 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 07:49:23,208 - INFO - problem_instance short name: V_1
-2024-12-03 07:49:23,208 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,208 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 07:49:23,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,210 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,210 - INFO - moving on ...
-2024-12-03 07:49:23,210 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 07:49:23,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,211 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,211 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,211 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,211 - INFO - moving on ...
-2024-12-03 07:49:23,211 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 07:49:23,212 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 07:49:23,212 - INFO - problem_instance short name: ru_macho
-2024-12-03 07:49:23,212 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,212 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 07:49:23,212 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,212 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,212 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,214 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,214 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,214 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 07:49:23,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 07:49:23,214 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 07:49:23,218 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,218 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,218 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 07:49:23,218 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,218 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,218 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,220 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,220 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,220 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 07:49:23,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 07:49:23,220 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 07:49:23,224 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,224 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,225 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 07:49:23,225 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,225 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,225 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,226 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,227 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,227 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 07:49:23,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 07:49:23,227 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 07:49:23,230 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,231 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,231 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 07:49:23,231 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,231 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,231 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,233 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,233 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,233 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 07:49:23,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 07:49:23,233 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 07:49:23,236 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,237 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,237 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 07:49:23,237 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,237 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,237 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,239 - INFO - number of orbitals:  33
-2024-12-03 07:49:23,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,239 - INFO - moving on ...
-2024-12-03 07:49:23,239 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 07:49:23,239 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,239 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,239 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,241 - INFO - number of orbitals:  23
-2024-12-03 07:49:23,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,241 - INFO - moving on ...
-2024-12-03 07:49:23,241 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 07:49:23,241 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,241 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,241 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,243 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,243 - INFO - moving on ...
-2024-12-03 07:49:23,243 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 07:49:23,243 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,243 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,243 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,244 - INFO - number of orbitals:  21
-2024-12-03 07:49:23,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,245 - INFO - moving on ...
-2024-12-03 07:49:23,245 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 07:49:23,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,245 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,245 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,246 - INFO - number of orbitals:  42
-2024-12-03 07:49:23,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,246 - INFO - moving on ...
-2024-12-03 07:49:23,247 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 07:49:23,247 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 07:49:23,247 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 07:49:23,247 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,247 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 07:49:23,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,248 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,248 - INFO - moving on ...
-2024-12-03 07:49:23,248 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 07:49:23,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,249 - INFO - number of orbitals:  119
-2024-12-03 07:49:23,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,250 - INFO - moving on ...
-2024-12-03 07:49:23,250 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 07:49:23,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,251 - INFO - number of orbitals:  62
-2024-12-03 07:49:23,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,251 - INFO - moving on ...
-2024-12-03 07:49:23,251 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 07:49:23,251 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 07:49:23,251 - INFO - problem_instance short name: CuO_0
-2024-12-03 07:49:23,251 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,251 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 07:49:23,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,253 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,253 - INFO - moving on ...
-2024-12-03 07:49:23,253 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 07:49:23,253 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 07:49:23,253 - INFO - problem_instance short name: si_o_0
-2024-12-03 07:49:23,253 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,253 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 07:49:23,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,254 - INFO - number of orbitals:  32
-2024-12-03 07:49:23,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,254 - INFO - moving on ...
-2024-12-03 07:49:23,255 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 07:49:23,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,256 - INFO - number of orbitals:  114
-2024-12-03 07:49:23,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,256 - INFO - moving on ...
-2024-12-03 07:49:23,256 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 07:49:23,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,257 - INFO - number of orbitals:  64
-2024-12-03 07:49:23,257 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,257 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,257 - INFO - moving on ...
-2024-12-03 07:49:23,257 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 07:49:23,257 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 07:49:23,257 - INFO - problem_instance short name: be_0
-2024-12-03 07:49:23,258 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,258 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 07:49:23,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,259 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,259 - INFO - number of supporting files: 2
-2024-12-03 07:49:23,259 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 07:49:23,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 07:49:23,259 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 07:49:23,263 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,263 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,263 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 07:49:23,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 07:49:23,263 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:23,263 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 07:49:23,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,265 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,265 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,265 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,265 - INFO - moving on ...
-2024-12-03 07:49:23,265 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 07:49:23,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,266 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,266 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,266 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,266 - INFO - moving on ...
-2024-12-03 07:49:23,266 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 07:49:23,266 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 07:49:23,267 - INFO - problem_instance short name: fe_red
-2024-12-03 07:49:23,267 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,267 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 07:49:23,267 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,267 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,267 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,268 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,269 - INFO - moving on ...
-2024-12-03 07:49:23,269 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 07:49:23,269 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,269 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,269 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,270 - INFO - number of orbitals:  53
-2024-12-03 07:49:23,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,271 - INFO - moving on ...
-2024-12-03 07:49:23,271 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 07:49:23,271 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,271 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,272 - INFO - number of orbitals:  58
-2024-12-03 07:49:23,272 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,273 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,273 - INFO - moving on ...
-2024-12-03 07:49:23,273 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 07:49:23,273 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,273 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,273 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,274 - INFO - number of orbitals:  44
-2024-12-03 07:49:23,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,274 - INFO - moving on ...
-2024-12-03 07:49:23,274 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 07:49:23,274 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,275 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,275 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,276 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,276 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,276 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,276 - INFO - moving on ...
-2024-12-03 07:49:23,276 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 07:49:23,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,276 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,276 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,278 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,278 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,278 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,278 - INFO - moving on ...
-2024-12-03 07:49:23,278 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 07:49:23,278 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,278 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,278 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,280 - INFO - number of orbitals:  44
-2024-12-03 07:49:23,280 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,280 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,280 - INFO - moving on ...
-2024-12-03 07:49:23,280 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 07:49:23,280 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,280 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,280 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,282 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,282 - INFO - moving on ...
-2024-12-03 07:49:23,282 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 07:49:23,282 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,282 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,282 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,283 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,283 - INFO - moving on ...
-2024-12-03 07:49:23,284 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 07:49:23,284 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 07:49:23,284 - INFO - problem_instance short name: p_h3_0
-2024-12-03 07:49:23,284 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,284 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 07:49:23,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,285 - INFO - number of orbitals:  33
-2024-12-03 07:49:23,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,285 - INFO - moving on ...
-2024-12-03 07:49:23,285 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 07:49:23,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,286 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,287 - INFO - moving on ...
-2024-12-03 07:49:23,287 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 07:49:23,287 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 07:49:23,287 - INFO - problem_instance short name: c_o_0
-2024-12-03 07:49:23,287 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,287 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 07:49:23,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,288 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,288 - INFO - moving on ...
-2024-12-03 07:49:23,288 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 07:49:23,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,289 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,289 - INFO - moving on ...
-2024-12-03 07:49:23,289 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 07:49:23,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,290 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,291 - INFO - moving on ...
-2024-12-03 07:49:23,291 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 07:49:23,291 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 07:49:23,291 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 07:49:23,291 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,291 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 07:49:23,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,292 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,292 - INFO - moving on ...
-2024-12-03 07:49:23,292 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 07:49:23,292 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 07:49:23,292 - INFO - problem_instance short name: benzene
-2024-12-03 07:49:23,292 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,292 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 07:49:23,292 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,292 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,293 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,294 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,294 - INFO - moving on ...
-2024-12-03 07:49:23,294 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 07:49:23,294 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,294 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,294 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,296 - INFO - number of orbitals:  108
-2024-12-03 07:49:23,296 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,296 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,296 - INFO - moving on ...
-2024-12-03 07:49:23,296 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 07:49:23,296 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 07:49:23,296 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 07:49:23,296 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,296 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 07:49:23,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,298 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,298 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,298 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,298 - INFO - moving on ...
-2024-12-03 07:49:23,298 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 07:49:23,298 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 07:49:23,298 - INFO - problem_instance short name: Fe_0
-2024-12-03 07:49:23,298 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,298 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 07:49:23,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,299 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,299 - INFO - moving on ...
-2024-12-03 07:49:23,299 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 07:49:23,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,300 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,301 - INFO - moving on ...
-2024-12-03 07:49:23,301 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 07:49:23,301 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 07:49:23,301 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 07:49:23,301 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,301 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 07:49:23,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,302 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,302 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,302 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 07:49:23,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 07:49:23,302 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 07:49:23,306 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,306 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,306 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 07:49:23,306 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 07:49:23,306 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 07:49:23,307 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,307 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 07:49:23,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,308 - INFO - number of orbitals:  66
-2024-12-03 07:49:23,308 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,308 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,308 - INFO - moving on ...
-2024-12-03 07:49:23,308 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 07:49:23,308 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 07:49:23,308 - INFO - problem_instance short name: cl2_0
-2024-12-03 07:49:23,308 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,308 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 07:49:23,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,310 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,310 - INFO - moving on ...
-2024-12-03 07:49:23,310 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 07:49:23,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,311 - INFO - number of orbitals:  118
-2024-12-03 07:49:23,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,311 - INFO - moving on ...
-2024-12-03 07:49:23,311 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 07:49:23,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,313 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,313 - INFO - moving on ...
-2024-12-03 07:49:23,313 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 07:49:23,313 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 07:49:23,313 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 07:49:23,313 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,313 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 07:49:23,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,314 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,315 - INFO - moving on ...
-2024-12-03 07:49:23,315 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 07:49:23,315 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 07:49:23,315 - INFO - problem_instance short name: Cu_0
-2024-12-03 07:49:23,315 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,315 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 07:49:23,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,316 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,316 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,316 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,316 - INFO - moving on ...
-2024-12-03 07:49:23,316 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 07:49:23,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,318 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,318 - INFO - moving on ...
-2024-12-03 07:49:23,318 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 07:49:23,318 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 07:49:23,318 - INFO - problem_instance short name: mo2_n2
-2024-12-03 07:49:23,318 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,318 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 07:49:23,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,318 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,318 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,320 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,320 - INFO - moving on ...
-2024-12-03 07:49:23,320 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 07:49:23,320 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,320 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,320 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,322 - INFO - number of orbitals:  70
-2024-12-03 07:49:23,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,322 - INFO - moving on ...
-2024-12-03 07:49:23,322 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 07:49:23,322 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,323 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,323 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,324 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,325 - INFO - moving on ...
-2024-12-03 07:49:23,325 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 07:49:23,325 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 07:49:23,325 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 07:49:23,325 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,325 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 07:49:23,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,326 - INFO - number of orbitals:  33
-2024-12-03 07:49:23,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,326 - INFO - moving on ...
-2024-12-03 07:49:23,326 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 07:49:23,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,327 - INFO - number of orbitals:  74
-2024-12-03 07:49:23,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,328 - INFO - moving on ...
-2024-12-03 07:49:23,328 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 07:49:23,328 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 07:49:23,328 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 07:49:23,328 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,328 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 07:49:23,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,329 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,329 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,329 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 07:49:23,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 07:49:23,329 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 07:49:23,334 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,334 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,334 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 07:49:23,335 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 07:49:23,335 - INFO - problem_instance short name: h2_o_0
-2024-12-03 07:49:23,335 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,335 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 07:49:23,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,336 - INFO - number of orbitals:  24
-2024-12-03 07:49:23,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,336 - INFO - moving on ...
-2024-12-03 07:49:23,336 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 07:49:23,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,338 - INFO - number of orbitals:  115
-2024-12-03 07:49:23,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,338 - INFO - moving on ...
-2024-12-03 07:49:23,338 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 07:49:23,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,340 - INFO - number of orbitals:  58
-2024-12-03 07:49:23,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,340 - INFO - moving on ...
-2024-12-03 07:49:23,340 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 07:49:23,340 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 07:49:23,340 - INFO - problem_instance short name: Mn_0
-2024-12-03 07:49:23,340 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,340 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 07:49:23,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,341 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,341 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,341 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,341 - INFO - moving on ...
-2024-12-03 07:49:23,342 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 07:49:23,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,343 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,343 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,343 - INFO - moving on ...
-2024-12-03 07:49:23,343 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 07:49:23,343 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 07:49:23,343 - INFO - problem_instance short name: li_h_0
-2024-12-03 07:49:23,343 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,343 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 07:49:23,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,344 - INFO - number of orbitals:  19
-2024-12-03 07:49:23,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,345 - INFO - moving on ...
-2024-12-03 07:49:23,345 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 07:49:23,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,346 - INFO - number of orbitals:  85
-2024-12-03 07:49:23,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,346 - INFO - moving on ...
-2024-12-03 07:49:23,346 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 07:49:23,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,347 - INFO - number of orbitals:  44
-2024-12-03 07:49:23,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,347 - INFO - moving on ...
-2024-12-03 07:49:23,347 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 07:49:23,347 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 07:49:23,347 - INFO - problem_instance short name: c_h4_0
-2024-12-03 07:49:23,348 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,348 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 07:49:23,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,349 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,349 - INFO - moving on ...
-2024-12-03 07:49:23,349 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 07:49:23,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,350 - INFO - number of orbitals:  86
-2024-12-03 07:49:23,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,350 - INFO - moving on ...
-2024-12-03 07:49:23,350 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 07:49:23,351 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 07:49:23,351 - INFO - problem_instance short name: TiO_0
-2024-12-03 07:49:23,351 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,351 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 07:49:23,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,352 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,352 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,352 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,352 - INFO - moving on ...
-2024-12-03 07:49:23,352 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 07:49:23,352 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 07:49:23,352 - INFO - problem_instance short name: li2_0
-2024-12-03 07:49:23,352 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,352 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 07:49:23,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,353 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,354 - INFO - moving on ...
-2024-12-03 07:49:23,354 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 07:49:23,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,355 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,355 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,355 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,355 - INFO - moving on ...
-2024-12-03 07:49:23,355 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 07:49:23,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,356 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,357 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,357 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,357 - INFO - moving on ...
-2024-12-03 07:49:23,357 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 07:49:23,357 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 07:49:23,357 - INFO - problem_instance short name: n_h3_0
-2024-12-03 07:49:23,357 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,357 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 07:49:23,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,358 - INFO - number of orbitals:  29
-2024-12-03 07:49:23,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,358 - INFO - moving on ...
-2024-12-03 07:49:23,358 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 07:49:23,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,360 - INFO - number of orbitals:  72
-2024-12-03 07:49:23,360 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,360 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,360 - INFO - moving on ...
-2024-12-03 07:49:23,360 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 07:49:23,360 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 07:49:23,360 - INFO - problem_instance short name: Ti_0
-2024-12-03 07:49:23,360 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,360 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 07:49:23,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,361 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,361 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,361 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,361 - INFO - moving on ...
-2024-12-03 07:49:23,361 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 07:49:23,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,362 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,363 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,363 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,363 - INFO - moving on ...
-2024-12-03 07:49:23,363 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 07:49:23,363 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 07:49:23,363 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 07:49:23,363 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,363 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 07:49:23,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,364 - INFO - number of orbitals:  24
-2024-12-03 07:49:23,364 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,364 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,364 - INFO - moving on ...
-2024-12-03 07:49:23,364 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 07:49:23,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,365 - INFO - number of orbitals:  115
-2024-12-03 07:49:23,365 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,366 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,366 - INFO - moving on ...
-2024-12-03 07:49:23,366 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 07:49:23,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,367 - INFO - number of orbitals:  58
-2024-12-03 07:49:23,367 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,367 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,367 - INFO - moving on ...
-2024-12-03 07:49:23,367 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 07:49:23,367 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 07:49:23,367 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 07:49:23,367 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,367 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 07:49:23,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,368 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,368 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,368 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,368 - INFO - moving on ...
-2024-12-03 07:49:23,368 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 07:49:23,368 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 07:49:23,368 - INFO - problem_instance short name: Cr_0
-2024-12-03 07:49:23,368 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,368 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 07:49:23,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,370 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,370 - INFO - moving on ...
-2024-12-03 07:49:23,370 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 07:49:23,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,371 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,371 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,371 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,371 - INFO - moving on ...
-2024-12-03 07:49:23,371 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 07:49:23,371 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 07:49:23,371 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 07:49:23,371 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,371 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 07:49:23,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,373 - INFO - number of orbitals:  52
-2024-12-03 07:49:23,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,373 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,373 - INFO - moving on ...
-2024-12-03 07:49:23,373 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 07:49:23,373 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 07:49:23,373 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 07:49:23,373 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,373 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 07:49:23,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,374 - INFO - number of orbitals:  38
-2024-12-03 07:49:23,374 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,374 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,374 - INFO - moving on ...
-2024-12-03 07:49:23,374 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 07:49:23,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,375 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,375 - INFO - moving on ...
-2024-12-03 07:49:23,376 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 07:49:23,376 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 07:49:23,376 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 07:49:23,376 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,376 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 07:49:23,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,377 - INFO - number of orbitals:  70
-2024-12-03 07:49:23,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,377 - INFO - moving on ...
-2024-12-03 07:49:23,377 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 07:49:23,377 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 07:49:23,377 - INFO - problem_instance short name: c_o2_0
-2024-12-03 07:49:23,377 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,377 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 07:49:23,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,378 - INFO - number of orbitals:  42
-2024-12-03 07:49:23,379 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,379 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,379 - INFO - moving on ...
-2024-12-03 07:49:23,379 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 07:49:23,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,380 - INFO - number of orbitals:  90
-2024-12-03 07:49:23,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,380 - INFO - moving on ...
-2024-12-03 07:49:23,380 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 07:49:23,380 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 07:49:23,380 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 07:49:23,380 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,380 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 07:49:23,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,381 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,381 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,381 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,381 - INFO - moving on ...
-2024-12-03 07:49:23,381 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 07:49:23,382 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 07:49:23,382 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 07:49:23,382 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,382 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 07:49:23,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,383 - INFO - number of orbitals:  48
-2024-12-03 07:49:23,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,383 - INFO - moving on ...
-2024-12-03 07:49:23,383 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 07:49:23,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,384 - INFO - number of orbitals:  116
-2024-12-03 07:49:23,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,384 - INFO - moving on ...
-2024-12-03 07:49:23,384 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 07:49:23,384 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 07:49:23,384 - INFO - problem_instance short name: Ti_1
-2024-12-03 07:49:23,384 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,385 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 07:49:23,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,386 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,386 - INFO - moving on ...
-2024-12-03 07:49:23,386 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 07:49:23,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,387 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,387 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,387 - INFO - moving on ...
-2024-12-03 07:49:23,387 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 07:49:23,387 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 07:49:23,387 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 07:49:23,387 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,387 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 07:49:23,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,389 - INFO - number of orbitals:  38
-2024-12-03 07:49:23,389 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,389 - INFO - moving on ...
-2024-12-03 07:49:23,389 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 07:49:23,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,390 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,390 - INFO - moving on ...
-2024-12-03 07:49:23,390 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 07:49:23,390 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 07:49:23,390 - INFO - problem_instance short name: mo_n2
-2024-12-03 07:49:23,390 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,390 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 07:49:23,390 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,390 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,392 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,392 - INFO - moving on ...
-2024-12-03 07:49:23,392 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 07:49:23,392 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,392 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,393 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,394 - INFO - number of orbitals:  46
-2024-12-03 07:49:23,394 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,394 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,394 - INFO - moving on ...
-2024-12-03 07:49:23,394 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 07:49:23,394 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,396 - INFO - number of orbitals:  46
-2024-12-03 07:49:23,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,396 - INFO - moving on ...
-2024-12-03 07:49:23,396 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 07:49:23,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,398 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,398 - INFO - moving on ...
-2024-12-03 07:49:23,398 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 07:49:23,398 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 07:49:23,398 - INFO - problem_instance short name: li_f_0
-2024-12-03 07:49:23,398 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,398 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 07:49:23,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,399 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,400 - INFO - moving on ...
-2024-12-03 07:49:23,400 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 07:49:23,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,401 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,401 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,401 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,401 - INFO - moving on ...
-2024-12-03 07:49:23,401 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 07:49:23,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,402 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,402 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,402 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,402 - INFO - moving on ...
-2024-12-03 07:49:23,402 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 07:49:23,402 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 07:49:23,403 - INFO - problem_instance short name: Mn_1
-2024-12-03 07:49:23,403 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,403 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 07:49:23,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,404 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,404 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,404 - INFO - moving on ...
-2024-12-03 07:49:23,404 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 07:49:23,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,405 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,405 - INFO - moving on ...
-2024-12-03 07:49:23,405 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 07:49:23,405 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 07:49:23,405 - INFO - problem_instance short name: n2_0
-2024-12-03 07:49:23,405 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,406 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 07:49:23,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,407 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,407 - INFO - moving on ...
-2024-12-03 07:49:23,407 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 07:49:23,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,408 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,408 - INFO - moving on ...
-2024-12-03 07:49:23,408 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 07:49:23,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,410 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,410 - INFO - moving on ...
-2024-12-03 07:49:23,410 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 07:49:23,410 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 07:49:23,410 - INFO - problem_instance short name: f2_0
-2024-12-03 07:49:23,410 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,410 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 07:49:23,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,411 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,411 - INFO - moving on ...
-2024-12-03 07:49:23,411 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 07:49:23,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,413 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,413 - INFO - moving on ...
-2024-12-03 07:49:23,413 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 07:49:23,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,414 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,414 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,414 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,414 - INFO - moving on ...
-2024-12-03 07:49:23,414 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 07:49:23,414 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 07:49:23,414 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 07:49:23,414 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,415 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 07:49:23,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,416 - INFO - number of orbitals:  48
-2024-12-03 07:49:23,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,416 - INFO - moving on ...
-2024-12-03 07:49:23,416 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 07:49:23,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,417 - INFO - number of orbitals:  116
-2024-12-03 07:49:23,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,417 - INFO - moving on ...
-2024-12-03 07:49:23,417 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 07:49:23,417 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 07:49:23,417 - INFO - problem_instance short name: Cr_1
-2024-12-03 07:49:23,417 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,417 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 07:49:23,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,419 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,419 - INFO - moving on ...
-2024-12-03 07:49:23,419 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 07:49:23,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,420 - INFO - number of orbitals:  135
-2024-12-03 07:49:23,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,420 - INFO - moving on ...
-2024-12-03 07:49:23,420 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 07:49:23,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,421 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,421 - INFO - moving on ...
-2024-12-03 07:49:23,421 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 07:49:23,421 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 07:49:23,421 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 07:49:23,422 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,422 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 07:49:23,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,423 - INFO - number of orbitals:  58
-2024-12-03 07:49:23,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,423 - INFO - moving on ...
-2024-12-03 07:49:23,423 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 07:49:23,423 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 07:49:23,423 - INFO - problem_instance short name: h_cl_0
-2024-12-03 07:49:23,423 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,423 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 07:49:23,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,424 - INFO - number of orbitals:  23
-2024-12-03 07:49:23,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,424 - INFO - moving on ...
-2024-12-03 07:49:23,424 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 07:49:23,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,425 - INFO - number of orbitals:  89
-2024-12-03 07:49:23,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,425 - INFO - moving on ...
-2024-12-03 07:49:23,425 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 07:49:23,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,427 - INFO - number of orbitals:  48
-2024-12-03 07:49:23,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,427 - INFO - moving on ...
-2024-12-03 07:49:23,427 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 07:49:23,427 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 07:49:23,427 - INFO - problem_instance short name: Cu_1
-2024-12-03 07:49:23,427 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,427 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 07:49:23,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,428 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,428 - INFO - moving on ...
-2024-12-03 07:49:23,428 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 07:49:23,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,429 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,430 - INFO - moving on ...
-2024-12-03 07:49:23,430 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 07:49:23,430 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 07:49:23,430 - INFO - problem_instance short name: O_0
-2024-12-03 07:49:23,430 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,430 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 07:49:23,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,431 - INFO - number of orbitals:  22
-2024-12-03 07:49:23,431 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,431 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,431 - INFO - moving on ...
-2024-12-03 07:49:23,431 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 07:49:23,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,432 - INFO - number of orbitals:  79
-2024-12-03 07:49:23,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,432 - INFO - moving on ...
-2024-12-03 07:49:23,432 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 07:49:23,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,434 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,434 - INFO - moving on ...
-2024-12-03 07:49:23,434 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 07:49:23,434 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 07:49:23,434 - INFO - problem_instance short name: O_1
-2024-12-03 07:49:23,434 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,434 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 07:49:23,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,435 - INFO - number of orbitals:  22
-2024-12-03 07:49:23,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,435 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,435 - INFO - moving on ...
-2024-12-03 07:49:23,435 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 07:49:23,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,436 - INFO - number of orbitals:  79
-2024-12-03 07:49:23,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,436 - INFO - moving on ...
-2024-12-03 07:49:23,436 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 07:49:23,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,438 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,438 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,438 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,438 - INFO - moving on ...
-2024-12-03 07:49:23,438 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 07:49:23,438 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 07:49:23,438 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 07:49:23,438 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,438 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 07:49:23,438 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,438 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,438 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,440 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,440 - INFO - moving on ...
-2024-12-03 07:49:23,440 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 07:49:23,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,440 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,440 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,442 - INFO - number of orbitals:  70
-2024-12-03 07:49:23,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,442 - INFO - moving on ...
-2024-12-03 07:49:23,442 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 07:49:23,442 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,442 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,442 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,444 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,444 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,444 - INFO - moving on ...
-2024-12-03 07:49:23,444 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 07:49:23,444 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,444 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,444 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,445 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,445 - INFO - moving on ...
-2024-12-03 07:49:23,445 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 07:49:23,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,446 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,446 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,447 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,447 - INFO - moving on ...
-2024-12-03 07:49:23,447 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 07:49:23,447 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,447 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,449 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,449 - INFO - moving on ...
-2024-12-03 07:49:23,449 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 07:49:23,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,451 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,451 - INFO - moving on ...
-2024-12-03 07:49:23,451 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 07:49:23,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,452 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,453 - INFO - moving on ...
-2024-12-03 07:49:23,453 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 07:49:23,453 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,453 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,453 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,454 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,454 - INFO - moving on ...
-2024-12-03 07:49:23,454 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 07:49:23,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,455 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,456 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,456 - INFO - moving on ...
-2024-12-03 07:49:23,456 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 07:49:23,456 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,456 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,456 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,458 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,458 - INFO - moving on ...
-2024-12-03 07:49:23,458 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 07:49:23,458 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,458 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,458 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,460 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,460 - INFO - moving on ...
-2024-12-03 07:49:23,460 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 07:49:23,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,461 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,462 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,462 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,462 - INFO - moving on ...
-2024-12-03 07:49:23,462 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 07:49:23,462 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,462 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,462 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,463 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,464 - INFO - moving on ...
-2024-12-03 07:49:23,464 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 07:49:23,464 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,464 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,464 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,465 - INFO - number of orbitals:  25
-2024-12-03 07:49:23,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,465 - INFO - moving on ...
-2024-12-03 07:49:23,465 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 07:49:23,465 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,465 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,466 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,467 - INFO - number of orbitals:  39
-2024-12-03 07:49:23,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,467 - INFO - moving on ...
-2024-12-03 07:49:23,467 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 07:49:23,467 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 07:49:23,468 - INFO - problem_instance short name: ozone
-2024-12-03 07:49:23,468 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,468 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 07:49:23,468 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,468 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,468 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,469 - INFO - number of orbitals:  42
-2024-12-03 07:49:23,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,469 - INFO - moving on ...
-2024-12-03 07:49:23,469 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 07:49:23,469 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,472 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,472 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,472 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 07:49:23,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 07:49:23,472 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 07:49:23,476 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,476 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,476 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 07:49:23,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,476 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,476 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,478 - INFO - number of orbitals:  90
-2024-12-03 07:49:23,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,478 - INFO - moving on ...
-2024-12-03 07:49:23,478 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 07:49:23,478 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,479 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,479 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,480 - INFO - number of orbitals:  42
-2024-12-03 07:49:23,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,480 - INFO - moving on ...
-2024-12-03 07:49:23,480 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 07:49:23,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,481 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,482 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,482 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,482 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 07:49:23,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 07:49:23,482 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 07:49:23,487 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,487 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,487 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 07:49:23,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,488 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,490 - INFO - number of orbitals:  90
-2024-12-03 07:49:23,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,490 - INFO - moving on ...
-2024-12-03 07:49:23,490 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 07:49:23,490 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 07:49:23,490 - INFO - problem_instance short name: V_0
-2024-12-03 07:49:23,490 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,490 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 07:49:23,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,492 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,492 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,492 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,492 - INFO - moving on ...
-2024-12-03 07:49:23,492 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 07:49:23,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,494 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,494 - INFO - moving on ...
-2024-12-03 07:49:23,494 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 07:49:23,495 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 07:49:23,495 - INFO - problem_instance short name: na2_0
-2024-12-03 07:49:23,495 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,495 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 07:49:23,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,496 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,496 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,496 - INFO - moving on ...
-2024-12-03 07:49:23,496 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 07:49:23,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,497 - INFO - number of orbitals:  118
-2024-12-03 07:49:23,497 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,498 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,498 - INFO - moving on ...
-2024-12-03 07:49:23,498 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 07:49:23,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,499 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,499 - INFO - moving on ...
-2024-12-03 07:49:23,499 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 07:49:23,499 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 07:49:23,499 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 07:49:23,499 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,499 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 07:49:23,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,500 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,501 - INFO - moving on ...
-2024-12-03 07:49:23,501 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 07:49:23,501 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 07:49:23,501 - INFO - problem_instance short name: blue_dimer
-2024-12-03 07:49:23,501 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,501 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 07:49:23,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,503 - INFO - number of orbitals:  18
-2024-12-03 07:49:23,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,503 - INFO - moving on ...
-2024-12-03 07:49:23,503 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 07:49:23,503 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,503 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,503 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,505 - INFO - number of orbitals:  22
-2024-12-03 07:49:23,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,505 - INFO - moving on ...
-2024-12-03 07:49:23,505 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 07:49:23,505 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,505 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,507 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,507 - INFO - moving on ...
-2024-12-03 07:49:23,507 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 07:49:23,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,507 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,507 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,509 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,509 - INFO - moving on ...
-2024-12-03 07:49:23,509 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 07:49:23,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,509 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,509 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,511 - INFO - number of orbitals:  18
-2024-12-03 07:49:23,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,511 - INFO - moving on ...
-2024-12-03 07:49:23,511 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 07:49:23,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,513 - INFO - number of orbitals:  22
-2024-12-03 07:49:23,513 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,513 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,513 - INFO - moving on ...
-2024-12-03 07:49:23,513 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 07:49:23,513 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,513 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,513 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,515 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,515 - INFO - moving on ...
-2024-12-03 07:49:23,515 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 07:49:23,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,516 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,517 - INFO - moving on ...
-2024-12-03 07:49:23,517 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 07:49:23,517 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,517 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,517 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,518 - INFO - number of orbitals:  19
-2024-12-03 07:49:23,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,518 - INFO - moving on ...
-2024-12-03 07:49:23,519 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 07:49:23,519 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,519 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,519 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,520 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,520 - INFO - moving on ...
-2024-12-03 07:49:23,520 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 07:49:23,520 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,521 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,521 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,522 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,522 - INFO - moving on ...
-2024-12-03 07:49:23,522 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 07:49:23,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,524 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,524 - INFO - moving on ...
-2024-12-03 07:49:23,524 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 07:49:23,524 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 07:49:23,524 - INFO - problem_instance short name: si_h4_0
-2024-12-03 07:49:23,524 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,524 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 07:49:23,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,526 - INFO - number of orbitals:  38
-2024-12-03 07:49:23,526 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,526 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,526 - INFO - moving on ...
-2024-12-03 07:49:23,526 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 07:49:23,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,527 - INFO - number of orbitals:  90
-2024-12-03 07:49:23,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,527 - INFO - moving on ...
-2024-12-03 07:49:23,527 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 07:49:23,527 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 07:49:23,527 - INFO - problem_instance short name: p2_0
-2024-12-03 07:49:23,527 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,527 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 07:49:23,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,528 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,529 - INFO - moving on ...
-2024-12-03 07:49:23,529 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 07:49:23,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,530 - INFO - number of orbitals:  118
-2024-12-03 07:49:23,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,530 - INFO - moving on ...
-2024-12-03 07:49:23,530 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 07:49:23,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,531 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,531 - INFO - moving on ...
-2024-12-03 07:49:23,531 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 07:49:23,531 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 07:49:23,531 - INFO - problem_instance short name: mn_mono
-2024-12-03 07:49:23,531 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,532 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 07:49:23,532 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,532 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,532 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,533 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,533 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,533 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 07:49:23,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 07:49:23,533 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 07:49:23,537 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,538 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,538 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 07:49:23,538 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,538 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,538 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,539 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,540 - INFO - moving on ...
-2024-12-03 07:49:23,540 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 07:49:23,540 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,540 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,540 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,542 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,542 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,542 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 07:49:23,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 07:49:23,542 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 07:49:23,546 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,546 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,546 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 07:49:23,546 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,547 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,547 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,548 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,549 - INFO - moving on ...
-2024-12-03 07:49:23,549 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 07:49:23,549 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,549 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,549 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,551 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,551 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,551 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 07:49:23,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 07:49:23,551 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 07:49:23,555 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,555 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,555 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 07:49:23,555 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,555 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,555 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,557 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,557 - INFO - moving on ...
-2024-12-03 07:49:23,557 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 07:49:23,557 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,559 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,559 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,559 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 07:49:23,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 07:49:23,559 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 07:49:23,563 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,564 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,564 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 07:49:23,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,564 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,566 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,566 - INFO - moving on ...
-2024-12-03 07:49:23,566 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 07:49:23,566 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 07:49:23,566 - INFO - problem_instance short name: Sc_0
-2024-12-03 07:49:23,566 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,566 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 07:49:23,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,567 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,568 - INFO - moving on ...
-2024-12-03 07:49:23,568 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 07:49:23,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,569 - INFO - number of orbitals:  135
-2024-12-03 07:49:23,569 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,569 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,569 - INFO - moving on ...
-2024-12-03 07:49:23,569 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 07:49:23,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,570 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,570 - INFO - moving on ...
-2024-12-03 07:49:23,570 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 07:49:23,570 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 07:49:23,570 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 07:49:23,570 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,571 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 07:49:23,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,572 - INFO - number of orbitals:  38
-2024-12-03 07:49:23,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,572 - INFO - moving on ...
-2024-12-03 07:49:23,572 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 07:49:23,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,573 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,573 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 07:49:23,573 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,573 - INFO - moving on ...
-2024-12-03 07:49:23,573 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 07:49:23,573 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 07:49:23,573 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 07:49:23,574 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,574 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 07:49:23,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,575 - INFO - number of orbitals:  48
-2024-12-03 07:49:23,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,575 - INFO - moving on ...
-2024-12-03 07:49:23,575 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 07:49:23,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,576 - INFO - number of orbitals:  116
-2024-12-03 07:49:23,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,576 - INFO - moving on ...
-2024-12-03 07:49:23,576 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 07:49:23,576 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 07:49:23,576 - INFO - problem_instance short name: Fe_0
-2024-12-03 07:49:23,576 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,576 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 07:49:23,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,577 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,578 - INFO - moving on ...
-2024-12-03 07:49:23,578 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 07:49:23,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,579 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,579 - INFO - moving on ...
-2024-12-03 07:49:23,579 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 07:49:23,579 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 07:49:23,579 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 07:49:23,579 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,579 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 07:49:23,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,580 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,581 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,581 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 07:49:23,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 07:49:23,581 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 07:49:23,585 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,585 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,585 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 07:49:23,585 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 07:49:23,585 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 07:49:23,585 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,585 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 07:49:23,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,587 - INFO - number of orbitals:  33
-2024-12-03 07:49:23,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,587 - INFO - moving on ...
-2024-12-03 07:49:23,587 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 07:49:23,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,588 - INFO - number of orbitals:  74
-2024-12-03 07:49:23,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,588 - INFO - moving on ...
-2024-12-03 07:49:23,588 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 07:49:23,588 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 07:49:23,588 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 07:49:23,588 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,588 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 07:49:23,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,590 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,590 - INFO - moving on ...
-2024-12-03 07:49:23,590 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 07:49:23,590 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 07:49:23,590 - INFO - problem_instance short name: p2_0
-2024-12-03 07:49:23,590 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,590 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 07:49:23,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,591 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,592 - INFO - moving on ...
-2024-12-03 07:49:23,592 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 07:49:23,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,593 - INFO - number of orbitals:  118
-2024-12-03 07:49:23,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,593 - INFO - moving on ...
-2024-12-03 07:49:23,593 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 07:49:23,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,594 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,594 - INFO - moving on ...
-2024-12-03 07:49:23,594 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 07:49:23,594 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 07:49:23,595 - INFO - problem_instance short name: n2_0
-2024-12-03 07:49:23,595 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,595 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 07:49:23,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,596 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,596 - INFO - moving on ...
-2024-12-03 07:49:23,596 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 07:49:23,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,597 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,597 - INFO - moving on ...
-2024-12-03 07:49:23,597 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 07:49:23,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,598 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,599 - INFO - moving on ...
-2024-12-03 07:49:23,599 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 07:49:23,599 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 07:49:23,599 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 07:49:23,599 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,599 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 07:49:23,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,600 - INFO - number of orbitals:  24
-2024-12-03 07:49:23,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,600 - INFO - moving on ...
-2024-12-03 07:49:23,600 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 07:49:23,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,601 - INFO - number of orbitals:  115
-2024-12-03 07:49:23,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,601 - INFO - moving on ...
-2024-12-03 07:49:23,601 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 07:49:23,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,603 - INFO - number of orbitals:  58
-2024-12-03 07:49:23,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,603 - INFO - moving on ...
-2024-12-03 07:49:23,603 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 07:49:23,603 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 07:49:23,603 - INFO - problem_instance short name: blue_dimer
-2024-12-03 07:49:23,603 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,603 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 07:49:23,603 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,605 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,605 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,605 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 07:49:23,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 07:49:23,605 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 07:49:23,609 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,609 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,609 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 07:49:23,609 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,609 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,609 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,611 - INFO - number of orbitals:  22
-2024-12-03 07:49:23,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,611 - INFO - moving on ...
-2024-12-03 07:49:23,611 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 07:49:23,611 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,611 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,612 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,613 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,613 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,613 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,613 - INFO - moving on ...
-2024-12-03 07:49:23,613 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 07:49:23,613 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,613 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,613 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,615 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,615 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,615 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,615 - INFO - moving on ...
-2024-12-03 07:49:23,615 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 07:49:23,615 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,615 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,615 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,617 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,617 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,617 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 07:49:23,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 07:49:23,617 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 07:49:23,621 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,621 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,621 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 07:49:23,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,621 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,621 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,623 - INFO - number of orbitals:  22
-2024-12-03 07:49:23,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,623 - INFO - moving on ...
-2024-12-03 07:49:23,623 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 07:49:23,623 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,623 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,623 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,625 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,625 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,625 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,625 - INFO - moving on ...
-2024-12-03 07:49:23,625 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 07:49:23,625 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,625 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,625 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,627 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,627 - INFO - moving on ...
-2024-12-03 07:49:23,627 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 07:49:23,627 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,627 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,627 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,629 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,629 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,629 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 07:49:23,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 07:49:23,629 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 07:49:23,633 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,633 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,633 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 07:49:23,633 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,633 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,633 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,635 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,635 - INFO - moving on ...
-2024-12-03 07:49:23,635 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 07:49:23,635 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,635 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,635 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,637 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,637 - INFO - moving on ...
-2024-12-03 07:49:23,637 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 07:49:23,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,637 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,637 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,639 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,639 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,639 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,639 - INFO - moving on ...
-2024-12-03 07:49:23,639 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 07:49:23,639 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 07:49:23,639 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 07:49:23,639 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,639 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 07:49:23,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,640 - INFO - number of orbitals:  48
-2024-12-03 07:49:23,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,641 - INFO - moving on ...
-2024-12-03 07:49:23,641 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 07:49:23,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,642 - INFO - number of orbitals:  116
-2024-12-03 07:49:23,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,642 - INFO - moving on ...
-2024-12-03 07:49:23,642 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 07:49:23,642 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 07:49:23,642 - INFO - problem_instance short name: li2_0
-2024-12-03 07:49:23,642 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,642 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 07:49:23,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,643 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,644 - INFO - moving on ...
-2024-12-03 07:49:23,644 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 07:49:23,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,645 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,645 - INFO - moving on ...
-2024-12-03 07:49:23,645 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 07:49:23,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,646 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,646 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,646 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,646 - INFO - moving on ...
-2024-12-03 07:49:23,646 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 07:49:23,646 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 07:49:23,646 - INFO - problem_instance short name: Mn_1
-2024-12-03 07:49:23,646 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,646 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 07:49:23,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,648 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,648 - INFO - moving on ...
-2024-12-03 07:49:23,648 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 07:49:23,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,649 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,649 - INFO - moving on ...
-2024-12-03 07:49:23,649 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 07:49:23,649 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 07:49:23,649 - INFO - problem_instance short name: be_0
-2024-12-03 07:49:23,649 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,649 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 07:49:23,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,651 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,651 - INFO - number of supporting files: 2
-2024-12-03 07:49:23,651 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 07:49:23,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 07:49:23,651 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 07:49:23,656 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,656 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,656 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 07:49:23,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 07:49:23,656 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:23,656 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 07:49:23,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,658 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,658 - INFO - moving on ...
-2024-12-03 07:49:23,658 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 07:49:23,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,659 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,659 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,659 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,659 - INFO - moving on ...
-2024-12-03 07:49:23,659 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 07:49:23,659 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 07:49:23,659 - INFO - problem_instance short name: ru_macho
-2024-12-03 07:49:23,659 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,660 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 07:49:23,660 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,660 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,660 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,661 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,661 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,661 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,662 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 07:49:23,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 07:49:23,662 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 07:49:23,665 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,666 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,666 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 07:49:23,666 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,666 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,666 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,668 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,668 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,668 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 07:49:23,668 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 07:49:23,668 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 07:49:23,672 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,672 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,672 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 07:49:23,672 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,672 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,672 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,674 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,674 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,674 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 07:49:23,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 07:49:23,674 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 07:49:23,678 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,678 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,678 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 07:49:23,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,680 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,680 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,680 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 07:49:23,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 07:49:23,680 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 07:49:23,684 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,684 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,684 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 07:49:23,685 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,685 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,685 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,686 - INFO - number of orbitals:  33
-2024-12-03 07:49:23,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,687 - INFO - moving on ...
-2024-12-03 07:49:23,687 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 07:49:23,687 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,687 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,687 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,688 - INFO - number of orbitals:  23
-2024-12-03 07:49:23,688 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,688 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,689 - INFO - moving on ...
-2024-12-03 07:49:23,689 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 07:49:23,689 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,689 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,689 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,690 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,690 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,690 - INFO - moving on ...
-2024-12-03 07:49:23,691 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 07:49:23,691 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,691 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,691 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,692 - INFO - number of orbitals:  21
-2024-12-03 07:49:23,692 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,692 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,692 - INFO - moving on ...
-2024-12-03 07:49:23,692 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 07:49:23,693 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,693 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,693 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,694 - INFO - number of orbitals:  42
-2024-12-03 07:49:23,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,694 - INFO - moving on ...
-2024-12-03 07:49:23,694 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 07:49:23,694 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 07:49:23,695 - INFO - problem_instance short name: c_h4_0
-2024-12-03 07:49:23,695 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,695 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 07:49:23,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,696 - INFO - number of orbitals:  34
-2024-12-03 07:49:23,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,696 - INFO - moving on ...
-2024-12-03 07:49:23,696 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 07:49:23,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,697 - INFO - number of orbitals:  86
-2024-12-03 07:49:23,697 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,697 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,697 - INFO - moving on ...
-2024-12-03 07:49:23,697 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 07:49:23,697 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 07:49:23,697 - INFO - problem_instance short name: mo2_n2
-2024-12-03 07:49:23,698 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,698 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 07:49:23,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,699 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,699 - INFO - moving on ...
-2024-12-03 07:49:23,699 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 07:49:23,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,701 - INFO - number of orbitals:  70
-2024-12-03 07:49:23,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,701 - INFO - moving on ...
-2024-12-03 07:49:23,701 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 07:49:23,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,703 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,703 - INFO - moving on ...
-2024-12-03 07:49:23,703 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 07:49:23,703 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 07:49:23,704 - INFO - problem_instance short name: li_f_0
-2024-12-03 07:49:23,704 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,704 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 07:49:23,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,705 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,705 - INFO - moving on ...
-2024-12-03 07:49:23,705 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 07:49:23,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,706 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,706 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,706 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,706 - INFO - moving on ...
-2024-12-03 07:49:23,706 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 07:49:23,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,708 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,708 - INFO - moving on ...
-2024-12-03 07:49:23,708 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 07:49:23,708 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 07:49:23,708 - INFO - problem_instance short name: mn_mono
-2024-12-03 07:49:23,708 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,708 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 07:49:23,708 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,710 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,710 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,710 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 07:49:23,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 07:49:23,710 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 07:49:23,714 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,714 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,714 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 07:49:23,714 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,714 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,714 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,716 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,716 - INFO - moving on ...
-2024-12-03 07:49:23,716 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 07:49:23,716 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,716 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,716 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,718 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,718 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,718 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 07:49:23,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 07:49:23,718 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 07:49:23,722 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,723 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,723 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 07:49:23,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,725 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,725 - INFO - moving on ...
-2024-12-03 07:49:23,725 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 07:49:23,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,727 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,727 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,727 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 07:49:23,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 07:49:23,727 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 07:49:23,731 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,731 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,731 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 07:49:23,731 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,731 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,731 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,733 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,733 - INFO - moving on ...
-2024-12-03 07:49:23,733 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 07:49:23,733 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,735 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,735 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,735 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 07:49:23,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 07:49:23,735 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 07:49:23,739 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,739 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,739 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 07:49:23,739 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,739 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,739 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,741 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,741 - INFO - moving on ...
-2024-12-03 07:49:23,741 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 07:49:23,741 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 07:49:23,741 - INFO - problem_instance short name: na_cl_0
-2024-12-03 07:49:23,741 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,741 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 07:49:23,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,743 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,743 - INFO - moving on ...
-2024-12-03 07:49:23,743 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 07:49:23,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,744 - INFO - number of orbitals:  118
-2024-12-03 07:49:23,744 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,744 - INFO - moving on ...
-2024-12-03 07:49:23,744 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 07:49:23,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,745 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,745 - INFO - moving on ...
-2024-12-03 07:49:23,745 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 07:49:23,746 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 07:49:23,746 - INFO - problem_instance short name: ozone
-2024-12-03 07:49:23,746 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,746 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 07:49:23,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,747 - INFO - number of orbitals:  42
-2024-12-03 07:49:23,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,748 - INFO - moving on ...
-2024-12-03 07:49:23,748 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 07:49:23,748 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,748 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,748 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,749 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,749 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,750 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 07:49:23,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 07:49:23,750 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 07:49:23,753 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,754 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,754 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 07:49:23,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,756 - INFO - number of orbitals:  90
-2024-12-03 07:49:23,756 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,756 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,756 - INFO - moving on ...
-2024-12-03 07:49:23,756 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 07:49:23,756 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,756 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,756 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,757 - INFO - number of orbitals:  42
-2024-12-03 07:49:23,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,757 - INFO - moving on ...
-2024-12-03 07:49:23,757 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 07:49:23,758 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,758 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,758 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,759 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,759 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,759 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 07:49:23,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 07:49:23,759 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 07:49:23,763 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,763 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,763 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 07:49:23,763 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,765 - INFO - number of orbitals:  90
-2024-12-03 07:49:23,765 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,765 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,765 - INFO - moving on ...
-2024-12-03 07:49:23,765 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 07:49:23,765 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 07:49:23,765 - INFO - problem_instance short name: Sc_1
-2024-12-03 07:49:23,765 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,765 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 07:49:23,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,767 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,767 - INFO - moving on ...
-2024-12-03 07:49:23,767 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 07:49:23,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,768 - INFO - number of orbitals:  135
-2024-12-03 07:49:23,768 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,768 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,768 - INFO - moving on ...
-2024-12-03 07:49:23,768 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 07:49:23,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,769 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,769 - INFO - moving on ...
-2024-12-03 07:49:23,769 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 07:49:23,770 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 07:49:23,770 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 07:49:23,770 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,770 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 07:49:23,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,771 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,771 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,771 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 07:49:23,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 07:49:23,771 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 07:49:23,775 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,775 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,775 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 07:49:23,775 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 07:49:23,775 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 07:49:23,775 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,775 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 07:49:23,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,777 - INFO - number of orbitals:  66
-2024-12-03 07:49:23,777 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,777 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,777 - INFO - moving on ...
-2024-12-03 07:49:23,777 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 07:49:23,777 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 07:49:23,777 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 07:49:23,777 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,777 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 07:49:23,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,778 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,778 - INFO - moving on ...
-2024-12-03 07:49:23,778 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 07:49:23,778 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 07:49:23,779 - INFO - problem_instance short name: h_f_0
-2024-12-03 07:49:23,779 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,779 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 07:49:23,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,780 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,780 - INFO - number of supporting files: 2
-2024-12-03 07:49:23,780 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 07:49:23,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 07:49:23,780 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 07:49:23,784 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,784 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,784 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 07:49:23,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 07:49:23,784 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:23,784 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 07:49:23,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,785 - INFO - number of orbitals:  85
-2024-12-03 07:49:23,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,785 - INFO - moving on ...
-2024-12-03 07:49:23,785 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 07:49:23,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,787 - INFO - number of orbitals:  44
-2024-12-03 07:49:23,787 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,787 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,787 - INFO - moving on ...
-2024-12-03 07:49:23,787 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 07:49:23,787 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 07:49:23,787 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 07:49:23,787 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,787 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 07:49:23,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,788 - INFO - number of orbitals:  70
-2024-12-03 07:49:23,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,788 - INFO - moving on ...
-2024-12-03 07:49:23,788 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 07:49:23,788 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 07:49:23,788 - INFO - problem_instance short name: h2_o_0
-2024-12-03 07:49:23,788 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,788 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 07:49:23,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,790 - INFO - number of orbitals:  24
-2024-12-03 07:49:23,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,790 - INFO - moving on ...
-2024-12-03 07:49:23,790 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 07:49:23,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,791 - INFO - number of orbitals:  115
-2024-12-03 07:49:23,791 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,791 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,791 - INFO - moving on ...
-2024-12-03 07:49:23,791 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 07:49:23,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,792 - INFO - number of orbitals:  58
-2024-12-03 07:49:23,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,792 - INFO - moving on ...
-2024-12-03 07:49:23,792 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 07:49:23,792 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 07:49:23,792 - INFO - problem_instance short name: f2_0
-2024-12-03 07:49:23,792 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,792 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 07:49:23,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,794 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,794 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,794 - INFO - moving on ...
-2024-12-03 07:49:23,794 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 07:49:23,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,795 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,795 - INFO - moving on ...
-2024-12-03 07:49:23,795 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 07:49:23,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,796 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,796 - INFO - moving on ...
-2024-12-03 07:49:23,796 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 07:49:23,796 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 07:49:23,796 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 07:49:23,796 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,796 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 07:49:23,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,798 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,798 - INFO - moving on ...
-2024-12-03 07:49:23,798 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 07:49:23,798 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 07:49:23,798 - INFO - problem_instance short name: CrO_0
-2024-12-03 07:49:23,798 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,798 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 07:49:23,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,799 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,799 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,799 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,799 - INFO - moving on ...
-2024-12-03 07:49:23,799 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 07:49:23,799 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 07:49:23,799 - INFO - problem_instance short name: Cu_0
-2024-12-03 07:49:23,799 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,799 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 07:49:23,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,801 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,801 - INFO - moving on ...
-2024-12-03 07:49:23,801 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 07:49:23,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,802 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,802 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,802 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,802 - INFO - moving on ...
-2024-12-03 07:49:23,802 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 07:49:23,802 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 07:49:23,802 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 07:49:23,802 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,802 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 07:49:23,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,803 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,804 - INFO - moving on ...
-2024-12-03 07:49:23,804 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 07:49:23,804 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 07:49:23,804 - INFO - problem_instance short name: Mn_0
-2024-12-03 07:49:23,804 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,804 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 07:49:23,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,805 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,805 - INFO - moving on ...
-2024-12-03 07:49:23,805 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 07:49:23,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,806 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,806 - INFO - moving on ...
-2024-12-03 07:49:23,806 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 07:49:23,806 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 07:49:23,806 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 07:49:23,806 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,807 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 07:49:23,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,808 - INFO - number of orbitals:  38
-2024-12-03 07:49:23,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,808 - INFO - moving on ...
-2024-12-03 07:49:23,808 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 07:49:23,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,809 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,809 - INFO - moving on ...
-2024-12-03 07:49:23,809 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 07:49:23,809 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 07:49:23,809 - INFO - problem_instance short name: h2_s_0
-2024-12-03 07:49:23,809 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,809 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 07:49:23,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,811 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,811 - INFO - moving on ...
-2024-12-03 07:49:23,811 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 07:49:23,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,812 - INFO - number of orbitals:  119
-2024-12-03 07:49:23,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,812 - INFO - moving on ...
-2024-12-03 07:49:23,812 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 07:49:23,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,813 - INFO - number of orbitals:  62
-2024-12-03 07:49:23,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,813 - INFO - moving on ...
-2024-12-03 07:49:23,813 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 07:49:23,813 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 07:49:23,814 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 07:49:23,814 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,814 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 07:49:23,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,815 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,815 - INFO - moving on ...
-2024-12-03 07:49:23,815 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 07:49:23,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,816 - INFO - number of orbitals:  119
-2024-12-03 07:49:23,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,816 - INFO - moving on ...
-2024-12-03 07:49:23,816 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 07:49:23,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,817 - INFO - number of orbitals:  62
-2024-12-03 07:49:23,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,817 - INFO - moving on ...
-2024-12-03 07:49:23,817 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 07:49:23,818 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 07:49:23,818 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 07:49:23,818 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,818 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 07:49:23,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,819 - INFO - number of orbitals:  47
-2024-12-03 07:49:23,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,819 - INFO - moving on ...
-2024-12-03 07:49:23,819 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 07:49:23,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,820 - INFO - number of orbitals:  106
-2024-12-03 07:49:23,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,820 - INFO - moving on ...
-2024-12-03 07:49:23,820 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 07:49:23,821 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 07:49:23,821 - INFO - problem_instance short name: cl2_0
-2024-12-03 07:49:23,821 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,821 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 07:49:23,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,822 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,822 - INFO - moving on ...
-2024-12-03 07:49:23,822 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 07:49:23,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,823 - INFO - number of orbitals:  118
-2024-12-03 07:49:23,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,823 - INFO - moving on ...
-2024-12-03 07:49:23,823 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 07:49:23,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,825 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,825 - INFO - moving on ...
-2024-12-03 07:49:23,825 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 07:49:23,825 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 07:49:23,825 - INFO - problem_instance short name: Cu_1
-2024-12-03 07:49:23,825 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,825 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 07:49:23,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,826 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,826 - INFO - moving on ...
-2024-12-03 07:49:23,826 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 07:49:23,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,827 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,827 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,827 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,827 - INFO - moving on ...
-2024-12-03 07:49:23,828 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 07:49:23,828 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 07:49:23,828 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 07:49:23,828 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,828 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 07:49:23,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,829 - INFO - number of orbitals:  48
-2024-12-03 07:49:23,829 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,829 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,829 - INFO - moving on ...
-2024-12-03 07:49:23,829 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 07:49:23,829 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 07:49:23,829 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 07:49:23,829 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,829 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 07:49:23,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,831 - INFO - number of orbitals:  37
-2024-12-03 07:49:23,831 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,831 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,831 - INFO - moving on ...
-2024-12-03 07:49:23,831 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 07:49:23,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,832 - INFO - number of orbitals:  78
-2024-12-03 07:49:23,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,832 - INFO - moving on ...
-2024-12-03 07:49:23,832 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 07:49:23,832 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 07:49:23,832 - INFO - problem_instance short name: MnO_0
-2024-12-03 07:49:23,832 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,832 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 07:49:23,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,833 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,834 - INFO - moving on ...
-2024-12-03 07:49:23,834 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 07:49:23,834 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 07:49:23,834 - INFO - problem_instance short name: O_0
-2024-12-03 07:49:23,834 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,834 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 07:49:23,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,835 - INFO - number of orbitals:  22
-2024-12-03 07:49:23,835 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,835 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,835 - INFO - moving on ...
-2024-12-03 07:49:23,835 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 07:49:23,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,836 - INFO - number of orbitals:  79
-2024-12-03 07:49:23,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,836 - INFO - moving on ...
-2024-12-03 07:49:23,836 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 07:49:23,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,837 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,838 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,838 - INFO - moving on ...
-2024-12-03 07:49:23,838 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 07:49:23,838 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 07:49:23,838 - INFO - problem_instance short name: Cr_0
-2024-12-03 07:49:23,838 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,838 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 07:49:23,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,839 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,839 - INFO - moving on ...
-2024-12-03 07:49:23,839 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 07:49:23,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,840 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,840 - INFO - moving on ...
-2024-12-03 07:49:23,840 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 07:49:23,840 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 07:49:23,840 - INFO - problem_instance short name: FeO_0
-2024-12-03 07:49:23,840 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,841 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 07:49:23,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,842 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,842 - INFO - moving on ...
-2024-12-03 07:49:23,842 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 07:49:23,842 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 07:49:23,842 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 07:49:23,842 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,842 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 07:49:23,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,843 - INFO - number of orbitals:  58
-2024-12-03 07:49:23,843 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,843 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,843 - INFO - moving on ...
-2024-12-03 07:49:23,843 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 07:49:23,843 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 07:49:23,843 - INFO - problem_instance short name: V_1
-2024-12-03 07:49:23,844 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,844 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 07:49:23,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,845 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,845 - INFO - moving on ...
-2024-12-03 07:49:23,845 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 07:49:23,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,846 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,846 - INFO - moving on ...
-2024-12-03 07:49:23,846 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 07:49:23,846 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 07:49:23,846 - INFO - problem_instance short name: O_1
-2024-12-03 07:49:23,846 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,847 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 07:49:23,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,848 - INFO - number of orbitals:  22
-2024-12-03 07:49:23,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,848 - INFO - moving on ...
-2024-12-03 07:49:23,848 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 07:49:23,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,849 - INFO - number of orbitals:  79
-2024-12-03 07:49:23,849 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,849 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,849 - INFO - moving on ...
-2024-12-03 07:49:23,849 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 07:49:23,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,850 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,850 - INFO - moving on ...
-2024-12-03 07:49:23,851 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 07:49:23,851 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 07:49:23,851 - INFO - problem_instance short name: si_o_0
-2024-12-03 07:49:23,851 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,851 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 07:49:23,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,852 - INFO - number of orbitals:  32
-2024-12-03 07:49:23,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,852 - INFO - moving on ...
-2024-12-03 07:49:23,852 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 07:49:23,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,853 - INFO - number of orbitals:  114
-2024-12-03 07:49:23,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,853 - INFO - moving on ...
-2024-12-03 07:49:23,853 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 07:49:23,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,855 - INFO - number of orbitals:  64
-2024-12-03 07:49:23,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,855 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,855 - INFO - moving on ...
-2024-12-03 07:49:23,855 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 07:49:23,855 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 07:49:23,855 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 07:49:23,855 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,855 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 07:49:23,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,855 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,856 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,857 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,857 - INFO - moving on ...
-2024-12-03 07:49:23,857 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 07:49:23,857 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,857 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,858 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,859 - INFO - number of orbitals:  70
-2024-12-03 07:49:23,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,859 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,859 - INFO - moving on ...
-2024-12-03 07:49:23,859 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 07:49:23,859 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,861 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,861 - INFO - moving on ...
-2024-12-03 07:49:23,861 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 07:49:23,861 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,862 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,862 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,863 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,863 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,863 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,863 - INFO - moving on ...
-2024-12-03 07:49:23,863 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 07:49:23,863 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,865 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,865 - INFO - moving on ...
-2024-12-03 07:49:23,865 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 07:49:23,865 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,866 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,866 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,867 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,867 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,867 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,867 - INFO - moving on ...
-2024-12-03 07:49:23,867 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 07:49:23,867 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,867 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,868 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,869 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,869 - INFO - moving on ...
-2024-12-03 07:49:23,869 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 07:49:23,869 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,869 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,869 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,871 - INFO - number of orbitals:  69
-2024-12-03 07:49:23,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,871 - INFO - moving on ...
-2024-12-03 07:49:23,871 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 07:49:23,871 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,873 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,873 - INFO - moving on ...
-2024-12-03 07:49:23,873 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 07:49:23,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,875 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,875 - INFO - moving on ...
-2024-12-03 07:49:23,875 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 07:49:23,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,875 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,876 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,877 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,877 - INFO - moving on ...
-2024-12-03 07:49:23,877 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 07:49:23,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,879 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,879 - INFO - moving on ...
-2024-12-03 07:49:23,879 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 07:49:23,879 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,879 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,879 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,881 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,881 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,881 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,881 - INFO - moving on ...
-2024-12-03 07:49:23,881 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 07:49:23,881 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,881 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,881 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,882 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,883 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,883 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,883 - INFO - moving on ...
-2024-12-03 07:49:23,883 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 07:49:23,883 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,883 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,883 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,884 - INFO - number of orbitals:  25
-2024-12-03 07:49:23,884 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,884 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,884 - INFO - moving on ...
-2024-12-03 07:49:23,884 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 07:49:23,884 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,885 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,885 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,886 - INFO - number of orbitals:  39
-2024-12-03 07:49:23,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,886 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,886 - INFO - moving on ...
-2024-12-03 07:49:23,886 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 07:49:23,887 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 07:49:23,887 - INFO - problem_instance short name: s_o2_0
-2024-12-03 07:49:23,887 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,887 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 07:49:23,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,888 - INFO - number of orbitals:  46
-2024-12-03 07:49:23,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,888 - INFO - moving on ...
-2024-12-03 07:49:23,888 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 07:49:23,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,889 - INFO - number of orbitals:  94
-2024-12-03 07:49:23,889 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,889 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,889 - INFO - moving on ...
-2024-12-03 07:49:23,889 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 07:49:23,890 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 07:49:23,890 - INFO - problem_instance short name: li_h_0
-2024-12-03 07:49:23,890 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,890 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 07:49:23,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,891 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,891 - INFO - number of supporting files: 2
-2024-12-03 07:49:23,891 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 07:49:23,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 07:49:23,891 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 07:49:23,895 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,895 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,895 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 07:49:23,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 07:49:23,895 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:23,895 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 07:49:23,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,896 - INFO - number of orbitals:  85
-2024-12-03 07:49:23,896 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,896 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,896 - INFO - moving on ...
-2024-12-03 07:49:23,896 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 07:49:23,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,898 - INFO - number of orbitals:  44
-2024-12-03 07:49:23,898 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,898 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,898 - INFO - moving on ...
-2024-12-03 07:49:23,898 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 07:49:23,898 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 07:49:23,898 - INFO - problem_instance short name: benzene
-2024-12-03 07:49:23,898 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,898 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 07:49:23,898 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,898 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,898 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,900 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,900 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,900 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,900 - INFO - moving on ...
-2024-12-03 07:49:23,900 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 07:49:23,900 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,900 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,900 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,902 - INFO - number of orbitals:  108
-2024-12-03 07:49:23,902 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,902 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,902 - INFO - moving on ...
-2024-12-03 07:49:23,902 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 07:49:23,902 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 07:49:23,902 - INFO - problem_instance short name: VO_0
-2024-12-03 07:49:23,902 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,902 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 07:49:23,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,903 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,903 - INFO - moving on ...
-2024-12-03 07:49:23,903 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 07:49:23,904 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 07:49:23,904 - INFO - problem_instance short name: Ti_0
-2024-12-03 07:49:23,904 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,904 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 07:49:23,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,905 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,905 - INFO - moving on ...
-2024-12-03 07:49:23,905 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 07:49:23,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,906 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,906 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,906 - INFO - moving on ...
-2024-12-03 07:49:23,906 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 07:49:23,906 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 07:49:23,906 - INFO - problem_instance short name: p_h3_0
-2024-12-03 07:49:23,906 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,906 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 07:49:23,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,908 - INFO - number of orbitals:  33
-2024-12-03 07:49:23,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,908 - INFO - moving on ...
-2024-12-03 07:49:23,908 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 07:49:23,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,909 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,909 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,909 - INFO - moving on ...
-2024-12-03 07:49:23,909 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 07:49:23,909 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 07:49:23,909 - INFO - problem_instance short name: c_s_0
-2024-12-03 07:49:23,909 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,909 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 07:49:23,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,911 - INFO - number of orbitals:  32
-2024-12-03 07:49:23,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,911 - INFO - moving on ...
-2024-12-03 07:49:23,911 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 07:49:23,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,912 - INFO - number of orbitals:  64
-2024-12-03 07:49:23,912 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,912 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,912 - INFO - moving on ...
-2024-12-03 07:49:23,912 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 07:49:23,912 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 07:49:23,912 - INFO - problem_instance short name: V_0
-2024-12-03 07:49:23,912 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,912 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 07:49:23,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,914 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,914 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,914 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,914 - INFO - moving on ...
-2024-12-03 07:49:23,914 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 07:49:23,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,915 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,915 - INFO - moving on ...
-2024-12-03 07:49:23,915 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 07:49:23,915 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 07:49:23,915 - INFO - problem_instance short name: si_h4_0
-2024-12-03 07:49:23,915 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,915 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 07:49:23,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,916 - INFO - number of orbitals:  38
-2024-12-03 07:49:23,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,916 - INFO - moving on ...
-2024-12-03 07:49:23,917 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 07:49:23,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,918 - INFO - number of orbitals:  90
-2024-12-03 07:49:23,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,918 - INFO - moving on ...
-2024-12-03 07:49:23,918 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 07:49:23,918 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 07:49:23,918 - INFO - problem_instance short name: n_h3_0
-2024-12-03 07:49:23,918 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,918 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 07:49:23,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,919 - INFO - number of orbitals:  29
-2024-12-03 07:49:23,919 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,919 - INFO - moving on ...
-2024-12-03 07:49:23,919 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 07:49:23,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,921 - INFO - number of orbitals:  72
-2024-12-03 07:49:23,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,921 - INFO - moving on ...
-2024-12-03 07:49:23,921 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 07:49:23,921 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 07:49:23,921 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 07:49:23,921 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,921 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 07:49:23,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,922 - INFO - number of orbitals:  38
-2024-12-03 07:49:23,922 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,922 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,922 - INFO - moving on ...
-2024-12-03 07:49:23,922 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 07:49:23,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,924 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,924 - INFO - moving on ...
-2024-12-03 07:49:23,924 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 07:49:23,924 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 07:49:23,924 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 07:49:23,924 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,924 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 07:49:23,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,925 - INFO - number of orbitals:  52
-2024-12-03 07:49:23,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,925 - INFO - moving on ...
-2024-12-03 07:49:23,925 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 07:49:23,925 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 07:49:23,925 - INFO - problem_instance short name: Ti_1
-2024-12-03 07:49:23,925 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,925 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 07:49:23,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,927 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,927 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,927 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,927 - INFO - moving on ...
-2024-12-03 07:49:23,927 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 07:49:23,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,928 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,928 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,928 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,928 - INFO - moving on ...
-2024-12-03 07:49:23,928 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 07:49:23,928 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 07:49:23,928 - INFO - problem_instance short name: h_cl_0
-2024-12-03 07:49:23,928 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,928 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 07:49:23,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,929 - INFO - number of orbitals:  23
-2024-12-03 07:49:23,929 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,930 - INFO - moving on ...
-2024-12-03 07:49:23,930 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 07:49:23,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,931 - INFO - number of orbitals:  89
-2024-12-03 07:49:23,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,931 - INFO - moving on ...
-2024-12-03 07:49:23,931 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 07:49:23,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,932 - INFO - number of orbitals:  48
-2024-12-03 07:49:23,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,932 - INFO - moving on ...
-2024-12-03 07:49:23,932 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 07:49:23,932 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 07:49:23,932 - INFO - problem_instance short name: fe_red
-2024-12-03 07:49:23,932 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,933 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 07:49:23,933 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,933 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,933 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,934 - INFO - number of orbitals:  45
-2024-12-03 07:49:23,934 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,934 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,934 - INFO - moving on ...
-2024-12-03 07:49:23,934 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 07:49:23,934 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,935 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,935 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,936 - INFO - number of orbitals:  53
-2024-12-03 07:49:23,936 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,936 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,936 - INFO - moving on ...
-2024-12-03 07:49:23,936 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 07:49:23,936 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,936 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,937 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,938 - INFO - number of orbitals:  58
-2024-12-03 07:49:23,938 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,938 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,938 - INFO - moving on ...
-2024-12-03 07:49:23,938 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 07:49:23,938 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,938 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,938 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,940 - INFO - number of orbitals:  44
-2024-12-03 07:49:23,940 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,940 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,940 - INFO - moving on ...
-2024-12-03 07:49:23,940 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 07:49:23,940 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,940 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,940 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,942 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,942 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,942 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,942 - INFO - moving on ...
-2024-12-03 07:49:23,942 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 07:49:23,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,942 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,944 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,944 - INFO - moving on ...
-2024-12-03 07:49:23,944 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 07:49:23,944 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,944 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,946 - INFO - number of orbitals:  44
-2024-12-03 07:49:23,946 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,946 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,946 - INFO - moving on ...
-2024-12-03 07:49:23,946 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 07:49:23,946 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,946 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,946 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,948 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,948 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,948 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,948 - INFO - moving on ...
-2024-12-03 07:49:23,948 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 07:49:23,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,950 - INFO - number of orbitals:  55
-2024-12-03 07:49:23,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,950 - INFO - moving on ...
-2024-12-03 07:49:23,950 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 07:49:23,950 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 07:49:23,950 - INFO - problem_instance short name: na2_0
-2024-12-03 07:49:23,950 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,950 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 07:49:23,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,951 - INFO - number of orbitals:  36
-2024-12-03 07:49:23,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,952 - INFO - moving on ...
-2024-12-03 07:49:23,952 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 07:49:23,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,953 - INFO - number of orbitals:  118
-2024-12-03 07:49:23,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,953 - INFO - moving on ...
-2024-12-03 07:49:23,953 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 07:49:23,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,954 - INFO - number of orbitals:  68
-2024-12-03 07:49:23,954 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,954 - INFO - moving on ...
-2024-12-03 07:49:23,954 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 07:49:23,954 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 07:49:23,954 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 07:49:23,954 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,954 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 07:49:23,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,956 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,956 - INFO - moving on ...
-2024-12-03 07:49:23,956 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 07:49:23,956 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 07:49:23,956 - INFO - problem_instance short name: TiO_0
-2024-12-03 07:49:23,956 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,956 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 07:49:23,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,957 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,957 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,957 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,957 - INFO - moving on ...
-2024-12-03 07:49:23,958 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 07:49:23,958 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 07:49:23,958 - INFO - problem_instance short name: CuO_0
-2024-12-03 07:49:23,958 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,958 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 07:49:23,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,959 - INFO - number of orbitals:  76
-2024-12-03 07:49:23,959 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,959 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,959 - INFO - moving on ...
-2024-12-03 07:49:23,959 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 07:49:23,959 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 07:49:23,959 - INFO - problem_instance short name: c_o_0
-2024-12-03 07:49:23,959 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,959 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 07:49:23,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,961 - INFO - number of orbitals:  28
-2024-12-03 07:49:23,961 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,961 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,961 - INFO - moving on ...
-2024-12-03 07:49:23,961 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 07:49:23,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,962 - INFO - number of orbitals:  110
-2024-12-03 07:49:23,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,962 - INFO - moving on ...
-2024-12-03 07:49:23,962 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 07:49:23,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,963 - INFO - number of orbitals:  60
-2024-12-03 07:49:23,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,964 - INFO - moving on ...
-2024-12-03 07:49:23,964 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 07:49:23,964 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 07:49:23,964 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 07:49:23,964 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,964 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 07:49:23,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,965 - INFO - number of orbitals:  38
-2024-12-03 07:49:23,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,965 - INFO - moving on ...
-2024-12-03 07:49:23,965 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 07:49:23,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,966 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,966 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,966 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,967 - INFO - moving on ...
-2024-12-03 07:49:23,967 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 07:49:23,967 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 07:49:23,967 - INFO - problem_instance short name: mo_n2
-2024-12-03 07:49:23,967 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,967 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 07:49:23,967 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,967 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,967 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,969 - INFO - number of orbitals:  31
-2024-12-03 07:49:23,969 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,969 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,969 - INFO - moving on ...
-2024-12-03 07:49:23,969 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 07:49:23,969 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,969 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,969 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,971 - INFO - number of orbitals:  46
-2024-12-03 07:49:23,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,971 - INFO - moving on ...
-2024-12-03 07:49:23,971 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 07:49:23,971 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,971 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,971 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,973 - INFO - number of orbitals:  46
-2024-12-03 07:49:23,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,973 - INFO - moving on ...
-2024-12-03 07:49:23,973 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 07:49:23,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,973 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,973 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,975 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,975 - INFO - moving on ...
-2024-12-03 07:49:23,975 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 07:49:23,975 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 07:49:23,975 - INFO - problem_instance short name: Fe_1
-2024-12-03 07:49:23,975 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,975 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 07:49:23,976 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,976 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,976 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,976 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,976 - INFO - moving on ...
-2024-12-03 07:49:23,976 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 07:49:23,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,978 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,978 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,978 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,978 - INFO - moving on ...
-2024-12-03 07:49:23,978 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 07:49:23,978 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 07:49:23,978 - INFO - problem_instance short name: Cr_1
-2024-12-03 07:49:23,978 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,978 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 07:49:23,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,979 - INFO - number of orbitals:  54
-2024-12-03 07:49:23,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,979 - INFO - moving on ...
-2024-12-03 07:49:23,979 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 07:49:23,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,980 - INFO - number of orbitals:  135
-2024-12-03 07:49:23,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,981 - INFO - moving on ...
-2024-12-03 07:49:23,981 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 07:49:23,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,982 - INFO - number of orbitals:  88
-2024-12-03 07:49:23,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,982 - INFO - moving on ...
-2024-12-03 07:49:23,982 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 07:49:23,982 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 07:49:23,982 - INFO - problem_instance short name: c_o2_0
-2024-12-03 07:49:23,982 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,982 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 07:49:23,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,983 - INFO - number of orbitals:  42
-2024-12-03 07:49:23,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,983 - INFO - moving on ...
-2024-12-03 07:49:23,984 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 07:49:23,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,985 - INFO - number of orbitals:  90
-2024-12-03 07:49:23,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,985 - INFO - moving on ...
-2024-12-03 07:49:23,985 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 07:49:23,985 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 07:49:23,985 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 07:49:23,985 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,985 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 07:49:23,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,986 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,986 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,986 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 07:49:23,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 07:49:23,986 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 07:49:23,990 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,991 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,991 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 07:49:23,991 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 07:49:23,991 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 07:49:23,991 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,991 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 07:49:23,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,992 - INFO - number of orbitals:  30
-2024-12-03 07:49:23,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:23,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:23,992 - INFO - moving on ...
-2024-12-03 07:49:23,992 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 07:49:23,992 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 07:49:23,992 - INFO - problem_instance short name: cr_dimer
-2024-12-03 07:49:23,993 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 07:49:23,993 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 07:49:23,993 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,993 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,993 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:23,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:23,994 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:23,994 - INFO - number of supporting files: 1
-2024-12-03 07:49:23,994 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 07:49:23,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 07:49:23,995 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 07:49:23,999 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:23,999 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 07:49:23,999 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 07:49:23,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:23,999 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:23,999 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,001 - INFO - number of orbitals:  26
-2024-12-03 07:49:24,001 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,001 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,001 - INFO - moving on ...
-2024-12-03 07:49:24,001 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 07:49:24,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,003 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,003 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,003 - INFO - moving on ...
-2024-12-03 07:49:24,003 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 07:49:24,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,003 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,005 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,005 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,005 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,005 - INFO - moving on ...
-2024-12-03 07:49:24,005 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 07:49:24,005 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,005 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,005 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,007 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,007 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,007 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 07:49:24,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 07:49:24,007 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 07:49:24,011 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,011 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,011 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 07:49:24,011 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,012 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,012 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,013 - INFO - number of orbitals:  26
-2024-12-03 07:49:24,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,013 - INFO - moving on ...
-2024-12-03 07:49:24,013 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 07:49:24,013 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,015 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,015 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,015 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,015 - INFO - moving on ...
-2024-12-03 07:49:24,016 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 07:49:24,016 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,016 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,016 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,017 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,017 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,017 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,017 - INFO - moving on ...
-2024-12-03 07:49:24,017 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 07:49:24,017 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,018 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,018 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,019 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,019 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,019 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 07:49:24,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 07:49:24,019 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 07:49:24,023 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,023 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,024 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 07:49:24,024 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,024 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,024 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,025 - INFO - number of orbitals:  26
-2024-12-03 07:49:24,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,025 - INFO - moving on ...
-2024-12-03 07:49:24,026 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 07:49:24,026 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,026 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,026 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,027 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,028 - INFO - moving on ...
-2024-12-03 07:49:24,028 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 07:49:24,028 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,028 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,028 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,029 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,029 - INFO - moving on ...
-2024-12-03 07:49:24,029 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 07:49:24,030 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 07:49:24,030 - INFO - problem_instance short name: Sc_0
-2024-12-03 07:49:24,030 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,030 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 07:49:24,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,031 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,031 - INFO - moving on ...
-2024-12-03 07:49:24,031 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 07:49:24,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,032 - INFO - number of orbitals:  135
-2024-12-03 07:49:24,032 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,032 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,032 - INFO - moving on ...
-2024-12-03 07:49:24,032 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 07:49:24,033 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,033 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,034 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,034 - INFO - moving on ...
-2024-12-03 07:49:24,034 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 07:49:24,034 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 07:49:24,034 - INFO - problem_instance short name: ScO_0
-2024-12-03 07:49:24,034 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,034 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 07:49:24,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,035 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,035 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,035 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,035 - INFO - moving on ...
-2024-12-03 07:49:24,035 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 07:49:24,035 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 07:49:24,035 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 07:49:24,035 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,035 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 07:49:24,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,036 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,037 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,037 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 07:49:24,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 07:49:24,037 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 07:49:24,041 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,041 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,041 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 07:49:24,041 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 07:49:24,041 - INFO - problem_instance short name: ru_mono
-2024-12-03 07:49:24,041 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,041 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 07:49:24,041 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,041 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,041 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,043 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,043 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,043 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 07:49:24,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 07:49:24,043 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 07:49:24,047 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,047 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,047 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 07:49:24,047 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,047 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,047 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,049 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,049 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,049 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,049 - INFO - moving on ...
-2024-12-03 07:49:24,049 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 07:49:24,049 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,049 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,051 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,051 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,051 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 07:49:24,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 07:49:24,051 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 07:49:24,055 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,055 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,055 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 07:49:24,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,055 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,055 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,057 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,057 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,057 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,057 - INFO - moving on ...
-2024-12-03 07:49:24,057 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 07:49:24,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,057 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,059 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,059 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,059 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 07:49:24,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 07:49:24,059 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 07:49:24,063 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,063 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,063 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 07:49:24,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,065 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,065 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 07:49:24,065 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,065 - INFO - moving on ...
-2024-12-03 07:49:24,065 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 07:49:24,065 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 07:49:24,065 - INFO - problem_instance short name: na_cl_0
-2024-12-03 07:49:24,065 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,065 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 07:49:24,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,066 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,067 - INFO - moving on ...
-2024-12-03 07:49:24,067 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 07:49:24,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,068 - INFO - number of orbitals:  118
-2024-12-03 07:49:24,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,068 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,068 - INFO - moving on ...
-2024-12-03 07:49:24,068 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 07:49:24,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,069 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,069 - INFO - moving on ...
-2024-12-03 07:49:24,069 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 07:49:24,069 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 07:49:24,069 - INFO - problem_instance short name: VO_0
-2024-12-03 07:49:24,069 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,069 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 07:49:24,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,071 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,071 - INFO - moving on ...
-2024-12-03 07:49:24,071 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 07:49:24,071 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 07:49:24,071 - INFO - problem_instance short name: li2_0
-2024-12-03 07:49:24,071 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,071 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 07:49:24,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,072 - INFO - number of orbitals:  28
-2024-12-03 07:49:24,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,072 - INFO - moving on ...
-2024-12-03 07:49:24,073 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 07:49:24,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,074 - INFO - number of orbitals:  110
-2024-12-03 07:49:24,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,074 - INFO - moving on ...
-2024-12-03 07:49:24,074 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 07:49:24,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,075 - INFO - number of orbitals:  60
-2024-12-03 07:49:24,075 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,075 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,075 - INFO - moving on ...
-2024-12-03 07:49:24,075 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 07:49:24,075 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 07:49:24,075 - INFO - problem_instance short name: Mn_1
-2024-12-03 07:49:24,075 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,075 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 07:49:24,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,077 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,077 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,077 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,077 - INFO - moving on ...
-2024-12-03 07:49:24,077 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 07:49:24,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,078 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,078 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,078 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,078 - INFO - moving on ...
-2024-12-03 07:49:24,078 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 07:49:24,078 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 07:49:24,078 - INFO - problem_instance short name: li_h_0
-2024-12-03 07:49:24,078 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,078 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 07:49:24,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,079 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,080 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,080 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 07:49:24,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 07:49:24,080 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 07:49:24,084 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,084 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,084 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 07:49:24,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 07:49:24,084 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,084 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 07:49:24,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,085 - INFO - number of orbitals:  85
-2024-12-03 07:49:24,085 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,085 - INFO - moving on ...
-2024-12-03 07:49:24,085 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 07:49:24,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,087 - INFO - number of orbitals:  44
-2024-12-03 07:49:24,087 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,087 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,087 - INFO - moving on ...
-2024-12-03 07:49:24,087 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 07:49:24,087 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 07:49:24,087 - INFO - problem_instance short name: FeO_0
-2024-12-03 07:49:24,087 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,087 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 07:49:24,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,088 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,088 - INFO - moving on ...
-2024-12-03 07:49:24,088 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 07:49:24,089 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 07:49:24,089 - INFO - problem_instance short name: blue_dimer
-2024-12-03 07:49:24,089 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,089 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 07:49:24,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,091 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,091 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,091 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 07:49:24,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 07:49:24,091 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 07:49:24,095 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,095 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,095 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 07:49:24,095 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,095 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,095 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,097 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,097 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,097 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 07:49:24,097 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 07:49:24,097 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 07:49:24,101 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,101 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,101 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 07:49:24,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,103 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,103 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,103 - INFO - moving on ...
-2024-12-03 07:49:24,103 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 07:49:24,103 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,103 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,103 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,105 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,105 - INFO - moving on ...
-2024-12-03 07:49:24,105 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 07:49:24,105 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,105 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,105 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,107 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,107 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,107 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 07:49:24,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 07:49:24,107 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 07:49:24,111 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,111 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,111 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 07:49:24,111 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,111 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,111 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,113 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,113 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,113 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 07:49:24,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 07:49:24,113 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 07:49:24,117 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,117 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,117 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 07:49:24,117 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,117 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,117 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,119 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,119 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,119 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,119 - INFO - moving on ...
-2024-12-03 07:49:24,119 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 07:49:24,119 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,119 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,119 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,121 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,121 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,121 - INFO - moving on ...
-2024-12-03 07:49:24,121 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 07:49:24,121 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,121 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,121 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,123 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,123 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,123 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 07:49:24,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 07:49:24,123 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 07:49:24,127 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,127 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,127 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 07:49:24,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,129 - INFO - number of orbitals:  28
-2024-12-03 07:49:24,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,129 - INFO - moving on ...
-2024-12-03 07:49:24,129 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 07:49:24,129 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,129 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,129 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,131 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,131 - INFO - moving on ...
-2024-12-03 07:49:24,131 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 07:49:24,131 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,131 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,131 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,133 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,133 - INFO - moving on ...
-2024-12-03 07:49:24,133 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 07:49:24,133 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 07:49:24,133 - INFO - problem_instance short name: si_o_0
-2024-12-03 07:49:24,134 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,134 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 07:49:24,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,135 - INFO - number of orbitals:  32
-2024-12-03 07:49:24,135 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,135 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,135 - INFO - moving on ...
-2024-12-03 07:49:24,135 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 07:49:24,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,136 - INFO - number of orbitals:  114
-2024-12-03 07:49:24,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,136 - INFO - moving on ...
-2024-12-03 07:49:24,136 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 07:49:24,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,138 - INFO - number of orbitals:  64
-2024-12-03 07:49:24,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,138 - INFO - moving on ...
-2024-12-03 07:49:24,138 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 07:49:24,138 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 07:49:24,138 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 07:49:24,138 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,138 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 07:49:24,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,139 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,139 - INFO - moving on ...
-2024-12-03 07:49:24,139 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 07:49:24,139 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 07:49:24,139 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 07:49:24,139 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,139 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 07:49:24,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,141 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,141 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,141 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 07:49:24,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 07:49:24,141 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 07:49:24,145 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,145 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,145 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 07:49:24,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 07:49:24,145 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,145 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 07:49:24,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,146 - INFO - number of orbitals:  115
-2024-12-03 07:49:24,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,146 - INFO - moving on ...
-2024-12-03 07:49:24,146 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 07:49:24,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,148 - INFO - number of orbitals:  58
-2024-12-03 07:49:24,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,148 - INFO - moving on ...
-2024-12-03 07:49:24,148 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 07:49:24,148 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 07:49:24,148 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 07:49:24,148 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,148 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 07:49:24,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,149 - INFO - number of orbitals:  30
-2024-12-03 07:49:24,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,149 - INFO - moving on ...
-2024-12-03 07:49:24,149 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 07:49:24,149 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 07:49:24,149 - INFO - problem_instance short name: Sc_0
-2024-12-03 07:49:24,149 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,150 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 07:49:24,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,151 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,151 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,151 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,151 - INFO - moving on ...
-2024-12-03 07:49:24,151 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 07:49:24,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,152 - INFO - number of orbitals:  135
-2024-12-03 07:49:24,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,152 - INFO - moving on ...
-2024-12-03 07:49:24,152 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 07:49:24,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,153 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,153 - INFO - moving on ...
-2024-12-03 07:49:24,154 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 07:49:24,154 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 07:49:24,154 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 07:49:24,154 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,154 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 07:49:24,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,155 - INFO - number of orbitals:  69
-2024-12-03 07:49:24,155 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,155 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,155 - INFO - moving on ...
-2024-12-03 07:49:24,155 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 07:49:24,155 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 07:49:24,155 - INFO - problem_instance short name: h_cl_0
-2024-12-03 07:49:24,155 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,155 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 07:49:24,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,156 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,156 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,157 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 07:49:24,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 07:49:24,157 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 07:49:24,161 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,161 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,161 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 07:49:24,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 07:49:24,161 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,161 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 07:49:24,162 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,162 - INFO - number of orbitals:  89
-2024-12-03 07:49:24,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,162 - INFO - moving on ...
-2024-12-03 07:49:24,163 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 07:49:24,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,164 - INFO - number of orbitals:  48
-2024-12-03 07:49:24,164 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,164 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,164 - INFO - moving on ...
-2024-12-03 07:49:24,164 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 07:49:24,164 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 07:49:24,164 - INFO - problem_instance short name: MnO_0
-2024-12-03 07:49:24,164 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,164 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 07:49:24,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,165 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,165 - INFO - moving on ...
-2024-12-03 07:49:24,165 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 07:49:24,165 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 07:49:24,166 - INFO - problem_instance short name: c_s_0
-2024-12-03 07:49:24,166 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,166 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 07:49:24,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,167 - INFO - number of orbitals:  32
-2024-12-03 07:49:24,167 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,167 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,167 - INFO - moving on ...
-2024-12-03 07:49:24,167 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 07:49:24,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,168 - INFO - number of orbitals:  64
-2024-12-03 07:49:24,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,168 - INFO - moving on ...
-2024-12-03 07:49:24,169 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 07:49:24,169 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 07:49:24,169 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 07:49:24,169 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,169 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 07:49:24,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,170 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,171 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,171 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 07:49:24,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 07:49:24,171 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 07:49:24,176 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,176 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,176 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 07:49:24,177 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 07:49:24,177 - INFO - problem_instance short name: cr_dimer
-2024-12-03 07:49:24,177 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,177 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 07:49:24,177 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,177 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,177 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,179 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,180 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,180 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 07:49:24,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 07:49:24,180 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 07:49:24,185 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,186 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,186 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 07:49:24,186 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,186 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,186 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,188 - INFO - number of orbitals:  26
-2024-12-03 07:49:24,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,188 - INFO - moving on ...
-2024-12-03 07:49:24,189 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 07:49:24,189 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,189 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,189 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,191 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,191 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,191 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,191 - INFO - moving on ...
-2024-12-03 07:49:24,192 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 07:49:24,192 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,192 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,192 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,194 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,194 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,194 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,194 - INFO - moving on ...
-2024-12-03 07:49:24,194 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 07:49:24,194 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,195 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,195 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,197 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,197 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,197 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 07:49:24,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 07:49:24,197 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 07:49:24,204 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,204 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,204 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 07:49:24,204 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,204 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,207 - INFO - number of orbitals:  26
-2024-12-03 07:49:24,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,207 - INFO - moving on ...
-2024-12-03 07:49:24,207 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 07:49:24,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,208 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,208 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,210 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,210 - INFO - moving on ...
-2024-12-03 07:49:24,210 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 07:49:24,211 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,211 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,211 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,213 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,213 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,213 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,213 - INFO - moving on ...
-2024-12-03 07:49:24,213 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 07:49:24,213 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,216 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,216 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,216 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 07:49:24,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 07:49:24,216 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 07:49:24,222 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,222 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,223 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 07:49:24,223 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,223 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,223 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,225 - INFO - number of orbitals:  26
-2024-12-03 07:49:24,225 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,225 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,225 - INFO - moving on ...
-2024-12-03 07:49:24,225 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 07:49:24,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,228 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,228 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,228 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,228 - INFO - moving on ...
-2024-12-03 07:49:24,228 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 07:49:24,228 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,228 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,228 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,230 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,230 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,230 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,230 - INFO - moving on ...
-2024-12-03 07:49:24,230 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 07:49:24,230 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 07:49:24,230 - INFO - problem_instance short name: li_f_0
-2024-12-03 07:49:24,230 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,231 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 07:49:24,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,232 - INFO - number of orbitals:  28
-2024-12-03 07:49:24,232 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,232 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,232 - INFO - moving on ...
-2024-12-03 07:49:24,232 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 07:49:24,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,233 - INFO - number of orbitals:  110
-2024-12-03 07:49:24,233 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,233 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,233 - INFO - moving on ...
-2024-12-03 07:49:24,233 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 07:49:24,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,234 - INFO - number of orbitals:  60
-2024-12-03 07:49:24,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,235 - INFO - moving on ...
-2024-12-03 07:49:24,235 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 07:49:24,235 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 07:49:24,235 - INFO - problem_instance short name: O_1
-2024-12-03 07:49:24,235 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,235 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 07:49:24,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,236 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,236 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,236 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 07:49:24,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 07:49:24,236 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 07:49:24,240 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,240 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,240 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 07:49:24,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 07:49:24,240 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,240 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 07:49:24,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,242 - INFO - number of orbitals:  79
-2024-12-03 07:49:24,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,242 - INFO - moving on ...
-2024-12-03 07:49:24,242 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 07:49:24,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,243 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,243 - INFO - moving on ...
-2024-12-03 07:49:24,243 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 07:49:24,243 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 07:49:24,243 - INFO - problem_instance short name: ru_mono
-2024-12-03 07:49:24,243 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,243 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 07:49:24,243 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,245 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,245 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,245 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 07:49:24,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 07:49:24,245 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 07:49:24,249 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,249 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,249 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 07:49:24,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,250 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,250 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,251 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,251 - INFO - moving on ...
-2024-12-03 07:49:24,251 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 07:49:24,251 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,251 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,251 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,253 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,253 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,253 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 07:49:24,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 07:49:24,253 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 07:49:24,257 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,257 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,257 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 07:49:24,257 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,257 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,257 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,259 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,259 - INFO - moving on ...
-2024-12-03 07:49:24,259 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 07:49:24,259 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,259 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,259 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,261 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,261 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,261 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 07:49:24,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 07:49:24,261 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 07:49:24,265 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,265 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,265 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 07:49:24,265 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,265 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,265 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,267 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,267 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,267 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,267 - INFO - moving on ...
-2024-12-03 07:49:24,267 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 07:49:24,267 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 07:49:24,267 - INFO - problem_instance short name: CrO_0
-2024-12-03 07:49:24,267 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,267 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 07:49:24,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,268 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,269 - INFO - moving on ...
-2024-12-03 07:49:24,269 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 07:49:24,269 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 07:49:24,269 - INFO - problem_instance short name: Mn_0
-2024-12-03 07:49:24,269 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,269 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 07:49:24,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,270 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,270 - INFO - moving on ...
-2024-12-03 07:49:24,270 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 07:49:24,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,271 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,271 - INFO - moving on ...
-2024-12-03 07:49:24,271 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 07:49:24,272 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 07:49:24,272 - INFO - problem_instance short name: Fe_1
-2024-12-03 07:49:24,272 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,272 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 07:49:24,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,273 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,273 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,273 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,273 - INFO - moving on ...
-2024-12-03 07:49:24,273 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 07:49:24,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,274 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,274 - INFO - moving on ...
-2024-12-03 07:49:24,274 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 07:49:24,274 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 07:49:24,275 - INFO - problem_instance short name: Ti_0
-2024-12-03 07:49:24,275 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,275 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 07:49:24,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,276 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,276 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,276 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,276 - INFO - moving on ...
-2024-12-03 07:49:24,276 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 07:49:24,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,277 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,277 - INFO - moving on ...
-2024-12-03 07:49:24,277 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 07:49:24,277 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 07:49:24,277 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 07:49:24,277 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,277 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 07:49:24,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,279 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,279 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,279 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 07:49:24,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 07:49:24,279 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 07:49:24,282 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,283 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,283 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 07:49:24,283 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 07:49:24,283 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 07:49:24,283 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,283 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 07:49:24,283 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,283 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,285 - INFO - number of orbitals:  55
-2024-12-03 07:49:24,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,285 - INFO - moving on ...
-2024-12-03 07:49:24,285 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 07:49:24,285 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,285 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,285 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,287 - INFO - number of orbitals:  70
-2024-12-03 07:49:24,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,287 - INFO - moving on ...
-2024-12-03 07:49:24,287 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 07:49:24,287 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,287 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,287 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,289 - INFO - number of orbitals:  55
-2024-12-03 07:49:24,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,289 - INFO - moving on ...
-2024-12-03 07:49:24,289 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 07:49:24,289 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,289 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,289 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,291 - INFO - number of orbitals:  69
-2024-12-03 07:49:24,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,291 - INFO - moving on ...
-2024-12-03 07:49:24,291 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 07:49:24,291 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,291 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,291 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,292 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,293 - INFO - moving on ...
-2024-12-03 07:49:24,293 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 07:49:24,293 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,293 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,293 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,294 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,294 - INFO - moving on ...
-2024-12-03 07:49:24,294 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 07:49:24,294 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,295 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,295 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,296 - INFO - number of orbitals:  55
-2024-12-03 07:49:24,296 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,296 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,296 - INFO - moving on ...
-2024-12-03 07:49:24,296 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 07:49:24,296 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,296 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,296 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,298 - INFO - number of orbitals:  69
-2024-12-03 07:49:24,298 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,298 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,298 - INFO - moving on ...
-2024-12-03 07:49:24,298 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 07:49:24,298 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,298 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,298 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,300 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,300 - INFO - moving on ...
-2024-12-03 07:49:24,300 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 07:49:24,300 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,300 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,300 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,302 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,302 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,302 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,302 - INFO - moving on ...
-2024-12-03 07:49:24,302 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 07:49:24,302 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,302 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,302 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,304 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,304 - INFO - moving on ...
-2024-12-03 07:49:24,304 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 07:49:24,304 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,304 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,304 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,306 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,306 - INFO - moving on ...
-2024-12-03 07:49:24,306 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 07:49:24,306 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,306 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,306 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,308 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,308 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,308 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,308 - INFO - moving on ...
-2024-12-03 07:49:24,308 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 07:49:24,308 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,308 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,308 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,310 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,310 - INFO - moving on ...
-2024-12-03 07:49:24,310 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 07:49:24,310 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,310 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,310 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,312 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,312 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,312 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 07:49:24,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 07:49:24,312 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 07:49:24,316 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,316 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,316 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 07:49:24,316 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,316 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,316 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,318 - INFO - number of orbitals:  39
-2024-12-03 07:49:24,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,318 - INFO - moving on ...
-2024-12-03 07:49:24,318 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 07:49:24,318 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 07:49:24,318 - INFO - problem_instance short name: O_0
-2024-12-03 07:49:24,318 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,318 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 07:49:24,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,319 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,319 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,319 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-03 07:49:24,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-03 07:49:24,320 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-03 07:49:24,323 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,324 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,324 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-03 07:49:24,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-03 07:49:24,324 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,324 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 07:49:24,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,325 - INFO - number of orbitals:  79
-2024-12-03 07:49:24,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,325 - INFO - moving on ...
-2024-12-03 07:49:24,325 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 07:49:24,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,326 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,326 - INFO - moving on ...
-2024-12-03 07:49:24,327 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 07:49:24,327 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 07:49:24,327 - INFO - problem_instance short name: benzene
-2024-12-03 07:49:24,327 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,327 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 07:49:24,327 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,327 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,327 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,329 - INFO - number of orbitals:  30
-2024-12-03 07:49:24,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,329 - INFO - moving on ...
-2024-12-03 07:49:24,329 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 07:49:24,329 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,329 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,329 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,330 - INFO - number of orbitals:  108
-2024-12-03 07:49:24,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,331 - INFO - moving on ...
-2024-12-03 07:49:24,331 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 07:49:24,331 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 07:49:24,331 - INFO - problem_instance short name: V_0
-2024-12-03 07:49:24,331 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,331 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 07:49:24,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,332 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,332 - INFO - moving on ...
-2024-12-03 07:49:24,332 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 07:49:24,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,333 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,333 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,333 - INFO - moving on ...
-2024-12-03 07:49:24,333 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 07:49:24,334 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 07:49:24,334 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 07:49:24,334 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,334 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 07:49:24,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,335 - INFO - number of orbitals:  37
-2024-12-03 07:49:24,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,335 - INFO - moving on ...
-2024-12-03 07:49:24,335 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 07:49:24,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,336 - INFO - number of orbitals:  78
-2024-12-03 07:49:24,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,336 - INFO - moving on ...
-2024-12-03 07:49:24,336 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 07:49:24,337 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 07:49:24,337 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 07:49:24,337 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,337 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 07:49:24,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,338 - INFO - number of orbitals:  33
-2024-12-03 07:49:24,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,338 - INFO - moving on ...
-2024-12-03 07:49:24,338 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 07:49:24,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,339 - INFO - number of orbitals:  74
-2024-12-03 07:49:24,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,339 - INFO - moving on ...
-2024-12-03 07:49:24,339 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 07:49:24,339 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 07:49:24,339 - INFO - problem_instance short name: V_1
-2024-12-03 07:49:24,340 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,340 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 07:49:24,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,341 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,341 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,341 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,341 - INFO - moving on ...
-2024-12-03 07:49:24,341 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 07:49:24,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,342 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,342 - INFO - moving on ...
-2024-12-03 07:49:24,342 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 07:49:24,342 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 07:49:24,342 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 07:49:24,342 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,342 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 07:49:24,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,344 - INFO - number of orbitals:  38
-2024-12-03 07:49:24,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,344 - INFO - moving on ...
-2024-12-03 07:49:24,344 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 07:49:24,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,345 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,345 - INFO - moving on ...
-2024-12-03 07:49:24,345 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 07:49:24,345 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 07:49:24,345 - INFO - problem_instance short name: cl2_0
-2024-12-03 07:49:24,346 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,346 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 07:49:24,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,347 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,347 - INFO - moving on ...
-2024-12-03 07:49:24,347 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 07:49:24,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,348 - INFO - number of orbitals:  118
-2024-12-03 07:49:24,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,348 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,348 - INFO - moving on ...
-2024-12-03 07:49:24,348 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 07:49:24,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,349 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,349 - INFO - moving on ...
-2024-12-03 07:49:24,349 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 07:49:24,350 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 07:49:24,350 - INFO - problem_instance short name: si_h4_0
-2024-12-03 07:49:24,350 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,350 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 07:49:24,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,351 - INFO - number of orbitals:  38
-2024-12-03 07:49:24,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,351 - INFO - moving on ...
-2024-12-03 07:49:24,351 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 07:49:24,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,352 - INFO - number of orbitals:  90
-2024-12-03 07:49:24,352 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,353 - INFO - moving on ...
-2024-12-03 07:49:24,353 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 07:49:24,353 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 07:49:24,353 - INFO - problem_instance short name: mo2_n2
-2024-12-03 07:49:24,353 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,353 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 07:49:24,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,356 - INFO - number of orbitals:  69
-2024-12-03 07:49:24,356 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,356 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,356 - INFO - moving on ...
-2024-12-03 07:49:24,356 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 07:49:24,356 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,356 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,356 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,358 - INFO - number of orbitals:  70
-2024-12-03 07:49:24,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,358 - INFO - moving on ...
-2024-12-03 07:49:24,358 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 07:49:24,359 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,359 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,359 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,361 - INFO - number of orbitals:  69
-2024-12-03 07:49:24,361 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,361 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,361 - INFO - moving on ...
-2024-12-03 07:49:24,361 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 07:49:24,361 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 07:49:24,361 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 07:49:24,361 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,361 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 07:49:24,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,363 - INFO - number of orbitals:  38
-2024-12-03 07:49:24,363 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,363 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,363 - INFO - moving on ...
-2024-12-03 07:49:24,363 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 07:49:24,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,365 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,365 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,365 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,365 - INFO - moving on ...
-2024-12-03 07:49:24,365 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 07:49:24,365 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 07:49:24,365 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 07:49:24,365 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,365 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 07:49:24,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,367 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,367 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,367 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 07:49:24,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 07:49:24,367 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 07:49:24,373 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,373 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,373 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 07:49:24,374 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 07:49:24,374 - INFO - problem_instance short name: c_o2_0
-2024-12-03 07:49:24,374 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,374 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 07:49:24,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,376 - INFO - number of orbitals:  42
-2024-12-03 07:49:24,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,376 - INFO - moving on ...
-2024-12-03 07:49:24,376 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 07:49:24,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,377 - INFO - number of orbitals:  90
-2024-12-03 07:49:24,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,378 - INFO - moving on ...
-2024-12-03 07:49:24,378 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 07:49:24,378 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 07:49:24,378 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 07:49:24,378 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,378 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 07:49:24,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,380 - INFO - number of orbitals:  66
-2024-12-03 07:49:24,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,380 - INFO - moving on ...
-2024-12-03 07:49:24,380 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 07:49:24,380 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 07:49:24,380 - INFO - problem_instance short name: s_o2_0
-2024-12-03 07:49:24,380 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,380 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 07:49:24,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,382 - INFO - number of orbitals:  46
-2024-12-03 07:49:24,382 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,382 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,382 - INFO - moving on ...
-2024-12-03 07:49:24,382 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 07:49:24,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,383 - INFO - number of orbitals:  94
-2024-12-03 07:49:24,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,384 - INFO - moving on ...
-2024-12-03 07:49:24,384 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 07:49:24,384 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 07:49:24,384 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 07:49:24,384 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,384 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 07:49:24,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,386 - INFO - number of orbitals:  48
-2024-12-03 07:49:24,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,386 - INFO - moving on ...
-2024-12-03 07:49:24,386 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 07:49:24,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,387 - INFO - number of orbitals:  116
-2024-12-03 07:49:24,387 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,387 - INFO - moving on ...
-2024-12-03 07:49:24,388 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 07:49:24,388 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 07:49:24,388 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 07:49:24,388 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,388 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 07:49:24,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,389 - INFO - number of orbitals:  69
-2024-12-03 07:49:24,389 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,390 - INFO - moving on ...
-2024-12-03 07:49:24,390 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 07:49:24,390 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 07:49:24,390 - INFO - problem_instance short name: na2_0
-2024-12-03 07:49:24,390 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,390 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 07:49:24,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,391 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,392 - INFO - moving on ...
-2024-12-03 07:49:24,392 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 07:49:24,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,393 - INFO - number of orbitals:  118
-2024-12-03 07:49:24,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,393 - INFO - moving on ...
-2024-12-03 07:49:24,393 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 07:49:24,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,395 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,395 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,395 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,395 - INFO - moving on ...
-2024-12-03 07:49:24,395 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 07:49:24,395 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 07:49:24,395 - INFO - problem_instance short name: h_f_0
-2024-12-03 07:49:24,395 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,395 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 07:49:24,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,397 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,397 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,397 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 07:49:24,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 07:49:24,397 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 07:49:24,403 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,403 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,403 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 07:49:24,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 07:49:24,403 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,403 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 07:49:24,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,405 - INFO - number of orbitals:  85
-2024-12-03 07:49:24,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,405 - INFO - moving on ...
-2024-12-03 07:49:24,405 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 07:49:24,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,407 - INFO - number of orbitals:  44
-2024-12-03 07:49:24,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,407 - INFO - moving on ...
-2024-12-03 07:49:24,407 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 07:49:24,407 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 07:49:24,408 - INFO - problem_instance short name: fe_red
-2024-12-03 07:49:24,408 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,408 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 07:49:24,408 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,408 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,408 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,410 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,410 - INFO - moving on ...
-2024-12-03 07:49:24,410 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 07:49:24,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,413 - INFO - number of orbitals:  53
-2024-12-03 07:49:24,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,413 - INFO - moving on ...
-2024-12-03 07:49:24,413 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 07:49:24,413 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,413 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,413 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,416 - INFO - number of orbitals:  58
-2024-12-03 07:49:24,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,416 - INFO - moving on ...
-2024-12-03 07:49:24,416 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 07:49:24,416 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,416 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,416 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,418 - INFO - number of orbitals:  44
-2024-12-03 07:49:24,418 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,419 - INFO - moving on ...
-2024-12-03 07:49:24,419 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 07:49:24,419 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,421 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,421 - INFO - moving on ...
-2024-12-03 07:49:24,421 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 07:49:24,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,424 - INFO - number of orbitals:  55
-2024-12-03 07:49:24,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,424 - INFO - moving on ...
-2024-12-03 07:49:24,424 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 07:49:24,424 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,424 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,424 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,426 - INFO - number of orbitals:  44
-2024-12-03 07:49:24,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,426 - INFO - moving on ...
-2024-12-03 07:49:24,426 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 07:49:24,426 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,427 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,427 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,429 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,429 - INFO - moving on ...
-2024-12-03 07:49:24,429 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 07:49:24,429 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,429 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,429 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,431 - INFO - number of orbitals:  55
-2024-12-03 07:49:24,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,432 - INFO - moving on ...
-2024-12-03 07:49:24,432 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 07:49:24,432 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 07:49:24,432 - INFO - problem_instance short name: be_0
-2024-12-03 07:49:24,432 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,432 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 07:49:24,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,434 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,434 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,434 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 07:49:24,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 07:49:24,434 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 07:49:24,439 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,440 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,440 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 07:49:24,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 07:49:24,440 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,440 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 07:49:24,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,442 - INFO - number of orbitals:  55
-2024-12-03 07:49:24,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,442 - INFO - moving on ...
-2024-12-03 07:49:24,442 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 07:49:24,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,443 - INFO - number of orbitals:  30
-2024-12-03 07:49:24,444 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,444 - INFO - moving on ...
-2024-12-03 07:49:24,444 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 07:49:24,444 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 07:49:24,444 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 07:49:24,444 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,444 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 07:49:24,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,446 - INFO - number of orbitals:  52
-2024-12-03 07:49:24,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,446 - INFO - moving on ...
-2024-12-03 07:49:24,446 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 07:49:24,446 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 07:49:24,446 - INFO - problem_instance short name: Cr_0
-2024-12-03 07:49:24,446 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,446 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 07:49:24,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,448 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,448 - INFO - moving on ...
-2024-12-03 07:49:24,448 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 07:49:24,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,450 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,450 - INFO - moving on ...
-2024-12-03 07:49:24,450 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 07:49:24,450 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 07:49:24,450 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 07:49:24,450 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,450 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 07:49:24,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,452 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,452 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,452 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 07:49:24,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 07:49:24,452 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 07:49:24,457 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,458 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,458 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 07:49:24,458 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 07:49:24,458 - INFO - problem_instance short name: ru_macho
-2024-12-03 07:49:24,458 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,458 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 07:49:24,458 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,459 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,459 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,461 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,461 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,461 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 07:49:24,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 07:49:24,461 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 07:49:24,466 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,467 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,467 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 07:49:24,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,469 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,470 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,470 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 07:49:24,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 07:49:24,470 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 07:49:24,475 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,475 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,476 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 07:49:24,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,476 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,476 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,478 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,478 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,478 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 07:49:24,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 07:49:24,478 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 07:49:24,483 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,484 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,484 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 07:49:24,484 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,484 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,484 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,486 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,486 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,486 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 07:49:24,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 07:49:24,487 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 07:49:24,492 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,492 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,492 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 07:49:24,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,492 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,492 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,495 - INFO - number of orbitals:  33
-2024-12-03 07:49:24,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,495 - INFO - moving on ...
-2024-12-03 07:49:24,495 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 07:49:24,495 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,495 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,495 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,498 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,498 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,498 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 07:49:24,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 07:49:24,498 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 07:49:24,504 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,504 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,504 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 07:49:24,504 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,505 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,507 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,507 - INFO - moving on ...
-2024-12-03 07:49:24,507 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 07:49:24,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,508 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,508 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,510 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,510 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,510 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 07:49:24,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 07:49:24,510 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 07:49:24,514 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,515 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,515 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 07:49:24,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,516 - INFO - number of orbitals:  42
-2024-12-03 07:49:24,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,516 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,517 - INFO - moving on ...
-2024-12-03 07:49:24,517 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 07:49:24,517 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 07:49:24,517 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 07:49:24,517 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,517 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 07:49:24,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,518 - INFO - number of orbitals:  58
-2024-12-03 07:49:24,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,518 - INFO - moving on ...
-2024-12-03 07:49:24,518 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 07:49:24,518 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 07:49:24,518 - INFO - problem_instance short name: n_h3_0
-2024-12-03 07:49:24,518 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,518 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 07:49:24,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,520 - INFO - number of orbitals:  29
-2024-12-03 07:49:24,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,520 - INFO - moving on ...
-2024-12-03 07:49:24,520 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 07:49:24,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,521 - INFO - number of orbitals:  72
-2024-12-03 07:49:24,521 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,521 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,521 - INFO - moving on ...
-2024-12-03 07:49:24,521 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 07:49:24,521 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 07:49:24,521 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 07:49:24,521 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,521 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 07:49:24,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,522 - INFO - number of orbitals:  70
-2024-12-03 07:49:24,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,522 - INFO - moving on ...
-2024-12-03 07:49:24,522 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 07:49:24,523 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 07:49:24,523 - INFO - problem_instance short name: Cr_1
-2024-12-03 07:49:24,523 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,523 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 07:49:24,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,524 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,524 - INFO - moving on ...
-2024-12-03 07:49:24,524 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 07:49:24,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,525 - INFO - number of orbitals:  135
-2024-12-03 07:49:24,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,525 - INFO - moving on ...
-2024-12-03 07:49:24,525 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 07:49:24,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,526 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,526 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,526 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,527 - INFO - moving on ...
-2024-12-03 07:49:24,527 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 07:49:24,527 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 07:49:24,527 - INFO - problem_instance short name: ScO_0
-2024-12-03 07:49:24,527 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,527 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 07:49:24,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,528 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,528 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,528 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,528 - INFO - moving on ...
-2024-12-03 07:49:24,528 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 07:49:24,528 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 07:49:24,528 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 07:49:24,528 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,528 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 07:49:24,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,530 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,530 - INFO - moving on ...
-2024-12-03 07:49:24,530 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 07:49:24,530 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 07:49:24,530 - INFO - problem_instance short name: Fe_0
-2024-12-03 07:49:24,530 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,530 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 07:49:24,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,531 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,531 - INFO - moving on ...
-2024-12-03 07:49:24,531 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 07:49:24,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,532 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,532 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,532 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,532 - INFO - moving on ...
-2024-12-03 07:49:24,532 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 07:49:24,533 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 07:49:24,533 - INFO - problem_instance short name: ozone
-2024-12-03 07:49:24,533 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,533 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 07:49:24,533 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,533 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,533 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,534 - INFO - number of orbitals:  42
-2024-12-03 07:49:24,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,535 - INFO - moving on ...
-2024-12-03 07:49:24,535 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 07:49:24,535 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,535 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,536 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,536 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,536 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 07:49:24,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 07:49:24,537 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 07:49:24,540 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,541 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,541 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 07:49:24,541 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,543 - INFO - number of orbitals:  90
-2024-12-03 07:49:24,543 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,543 - INFO - moving on ...
-2024-12-03 07:49:24,543 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 07:49:24,543 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,543 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,543 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,544 - INFO - number of orbitals:  42
-2024-12-03 07:49:24,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,544 - INFO - moving on ...
-2024-12-03 07:49:24,545 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 07:49:24,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,546 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,546 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,546 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 07:49:24,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 07:49:24,546 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 07:49:24,550 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,550 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,551 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 07:49:24,551 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,551 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,551 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,552 - INFO - number of orbitals:  90
-2024-12-03 07:49:24,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,552 - INFO - moving on ...
-2024-12-03 07:49:24,552 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 07:49:24,553 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 07:49:24,553 - INFO - problem_instance short name: Cu_0
-2024-12-03 07:49:24,553 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,553 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 07:49:24,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,554 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,554 - INFO - moving on ...
-2024-12-03 07:49:24,554 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 07:49:24,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,555 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,555 - INFO - moving on ...
-2024-12-03 07:49:24,555 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 07:49:24,555 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 07:49:24,556 - INFO - problem_instance short name: c_o_0
-2024-12-03 07:49:24,556 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,556 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 07:49:24,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,557 - INFO - number of orbitals:  28
-2024-12-03 07:49:24,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,557 - INFO - moving on ...
-2024-12-03 07:49:24,557 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 07:49:24,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,558 - INFO - number of orbitals:  110
-2024-12-03 07:49:24,558 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,558 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,558 - INFO - moving on ...
-2024-12-03 07:49:24,558 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 07:49:24,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,559 - INFO - number of orbitals:  60
-2024-12-03 07:49:24,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,559 - INFO - moving on ...
-2024-12-03 07:49:24,559 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 07:49:24,560 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 07:49:24,560 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 07:49:24,560 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,560 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 07:49:24,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,561 - INFO - number of orbitals:  47
-2024-12-03 07:49:24,561 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,561 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,561 - INFO - moving on ...
-2024-12-03 07:49:24,561 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 07:49:24,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,562 - INFO - number of orbitals:  106
-2024-12-03 07:49:24,562 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,562 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,562 - INFO - moving on ...
-2024-12-03 07:49:24,562 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 07:49:24,562 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 07:49:24,562 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 07:49:24,562 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,563 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 07:49:24,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,564 - INFO - number of orbitals:  48
-2024-12-03 07:49:24,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,564 - INFO - moving on ...
-2024-12-03 07:49:24,564 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 07:49:24,564 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 07:49:24,564 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 07:49:24,564 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,564 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 07:49:24,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,565 - INFO - number of orbitals:  48
-2024-12-03 07:49:24,565 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,565 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,565 - INFO - moving on ...
-2024-12-03 07:49:24,565 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 07:49:24,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,567 - INFO - number of orbitals:  116
-2024-12-03 07:49:24,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,567 - INFO - moving on ...
-2024-12-03 07:49:24,567 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 07:49:24,567 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 07:49:24,567 - INFO - problem_instance short name: f2_0
-2024-12-03 07:49:24,567 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,567 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 07:49:24,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,568 - INFO - number of orbitals:  28
-2024-12-03 07:49:24,568 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,568 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,568 - INFO - moving on ...
-2024-12-03 07:49:24,568 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 07:49:24,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,569 - INFO - number of orbitals:  110
-2024-12-03 07:49:24,569 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,569 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,569 - INFO - moving on ...
-2024-12-03 07:49:24,569 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 07:49:24,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,571 - INFO - number of orbitals:  60
-2024-12-03 07:49:24,571 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,571 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,571 - INFO - moving on ...
-2024-12-03 07:49:24,571 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 07:49:24,571 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 07:49:24,571 - INFO - problem_instance short name: p_h3_0
-2024-12-03 07:49:24,571 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,571 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 07:49:24,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,572 - INFO - number of orbitals:  33
-2024-12-03 07:49:24,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,572 - INFO - moving on ...
-2024-12-03 07:49:24,572 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 07:49:24,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,573 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,574 - INFO - moving on ...
-2024-12-03 07:49:24,574 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 07:49:24,574 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 07:49:24,574 - INFO - problem_instance short name: mo_n2
-2024-12-03 07:49:24,574 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,574 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 07:49:24,574 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,574 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,574 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,576 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,576 - INFO - moving on ...
-2024-12-03 07:49:24,576 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 07:49:24,576 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,576 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,576 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,578 - INFO - number of orbitals:  46
-2024-12-03 07:49:24,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,578 - INFO - moving on ...
-2024-12-03 07:49:24,578 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 07:49:24,578 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,578 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,578 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,579 - INFO - number of orbitals:  46
-2024-12-03 07:49:24,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,580 - INFO - moving on ...
-2024-12-03 07:49:24,580 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 07:49:24,580 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,580 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,580 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,581 - INFO - number of orbitals:  30
-2024-12-03 07:49:24,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,581 - INFO - moving on ...
-2024-12-03 07:49:24,581 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 07:49:24,582 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 07:49:24,582 - INFO - problem_instance short name: Cu_1
-2024-12-03 07:49:24,582 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,582 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 07:49:24,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,583 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,583 - INFO - moving on ...
-2024-12-03 07:49:24,583 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 07:49:24,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,584 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,584 - INFO - moving on ...
-2024-12-03 07:49:24,584 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 07:49:24,584 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 07:49:24,585 - INFO - problem_instance short name: n2_0
-2024-12-03 07:49:24,585 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,585 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 07:49:24,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,586 - INFO - number of orbitals:  28
-2024-12-03 07:49:24,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,586 - INFO - moving on ...
-2024-12-03 07:49:24,586 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 07:49:24,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,587 - INFO - number of orbitals:  110
-2024-12-03 07:49:24,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,587 - INFO - moving on ...
-2024-12-03 07:49:24,587 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 07:49:24,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,588 - INFO - number of orbitals:  60
-2024-12-03 07:49:24,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,589 - INFO - moving on ...
-2024-12-03 07:49:24,589 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 07:49:24,589 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 07:49:24,589 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 07:49:24,589 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,589 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 07:49:24,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,590 - INFO - number of orbitals:  38
-2024-12-03 07:49:24,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,590 - INFO - moving on ...
-2024-12-03 07:49:24,590 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 07:49:24,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,591 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,591 - INFO - moving on ...
-2024-12-03 07:49:24,591 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 07:49:24,592 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 07:49:24,592 - INFO - problem_instance short name: TiO_0
-2024-12-03 07:49:24,592 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,592 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 07:49:24,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,593 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,593 - INFO - moving on ...
-2024-12-03 07:49:24,593 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 07:49:24,593 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 07:49:24,593 - INFO - problem_instance short name: h2_o_0
-2024-12-03 07:49:24,593 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,593 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 07:49:24,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,594 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,594 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,594 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 07:49:24,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 07:49:24,595 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 07:49:24,598 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,599 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,599 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 07:49:24,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 07:49:24,599 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,599 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 07:49:24,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,600 - INFO - number of orbitals:  115
-2024-12-03 07:49:24,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,600 - INFO - moving on ...
-2024-12-03 07:49:24,600 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 07:49:24,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,601 - INFO - number of orbitals:  58
-2024-12-03 07:49:24,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,601 - INFO - moving on ...
-2024-12-03 07:49:24,601 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 07:49:24,602 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 07:49:24,602 - INFO - problem_instance short name: mn_mono
-2024-12-03 07:49:24,602 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,602 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 07:49:24,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,602 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,602 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,603 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,604 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,604 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 07:49:24,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 07:49:24,604 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 07:49:24,607 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,608 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,608 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 07:49:24,608 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,608 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,608 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,610 - INFO - number of orbitals:  30
-2024-12-03 07:49:24,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,610 - INFO - moving on ...
-2024-12-03 07:49:24,610 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 07:49:24,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,610 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,610 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,611 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,612 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,612 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 07:49:24,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 07:49:24,612 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 07:49:24,615 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,616 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,616 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 07:49:24,616 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,616 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,616 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,618 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,618 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,618 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,618 - INFO - moving on ...
-2024-12-03 07:49:24,618 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 07:49:24,618 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,618 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,618 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,620 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,620 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,620 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 07:49:24,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 07:49:24,620 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 07:49:24,624 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,624 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,624 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 07:49:24,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,626 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,626 - INFO - moving on ...
-2024-12-03 07:49:24,626 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 07:49:24,626 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,626 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,626 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,628 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,628 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,628 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 07:49:24,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 07:49:24,628 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 07:49:24,632 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,632 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,632 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 07:49:24,632 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,634 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,634 - INFO - moving on ...
-2024-12-03 07:49:24,634 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 07:49:24,634 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 07:49:24,634 - INFO - problem_instance short name: CuO_0
-2024-12-03 07:49:24,634 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,634 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 07:49:24,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,635 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,636 - INFO - moving on ...
-2024-12-03 07:49:24,636 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 07:49:24,636 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 07:49:24,636 - INFO - problem_instance short name: h2_s_0
-2024-12-03 07:49:24,636 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,636 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 07:49:24,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,637 - INFO - number of orbitals:  28
-2024-12-03 07:49:24,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,637 - INFO - moving on ...
-2024-12-03 07:49:24,637 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 07:49:24,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,638 - INFO - number of orbitals:  119
-2024-12-03 07:49:24,639 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,639 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,639 - INFO - moving on ...
-2024-12-03 07:49:24,639 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 07:49:24,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,640 - INFO - number of orbitals:  62
-2024-12-03 07:49:24,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,640 - INFO - moving on ...
-2024-12-03 07:49:24,640 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 07:49:24,640 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 07:49:24,640 - INFO - problem_instance short name: Ti_1
-2024-12-03 07:49:24,640 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,640 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 07:49:24,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,641 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,641 - INFO - moving on ...
-2024-12-03 07:49:24,641 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 07:49:24,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,643 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,643 - INFO - moving on ...
-2024-12-03 07:49:24,643 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 07:49:24,643 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 07:49:24,643 - INFO - problem_instance short name: p2_0
-2024-12-03 07:49:24,643 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,643 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 07:49:24,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,644 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,644 - INFO - moving on ...
-2024-12-03 07:49:24,644 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 07:49:24,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,646 - INFO - number of orbitals:  118
-2024-12-03 07:49:24,646 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,646 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,646 - INFO - moving on ...
-2024-12-03 07:49:24,646 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 07:49:24,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,647 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,647 - INFO - moving on ...
-2024-12-03 07:49:24,647 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 07:49:24,647 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 07:49:24,647 - INFO - problem_instance short name: c_h4_0
-2024-12-03 07:49:24,647 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,647 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 07:49:24,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,648 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,649 - INFO - moving on ...
-2024-12-03 07:49:24,649 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 07:49:24,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,650 - INFO - number of orbitals:  86
-2024-12-03 07:49:24,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,650 - INFO - moving on ...
-2024-12-03 07:49:24,650 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 07:49:24,650 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 07:49:24,650 - INFO - problem_instance short name: Sc_1
-2024-12-03 07:49:24,650 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,650 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 07:49:24,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,651 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,652 - INFO - moving on ...
-2024-12-03 07:49:24,652 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 07:49:24,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,653 - INFO - number of orbitals:  135
-2024-12-03 07:49:24,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,653 - INFO - moving on ...
-2024-12-03 07:49:24,653 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 07:49:24,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,654 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,654 - INFO - moving on ...
-2024-12-03 07:49:24,654 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 07:49:24,654 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 07:49:24,654 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 07:49:24,654 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,655 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 07:49:24,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,656 - INFO - number of orbitals:  28
-2024-12-03 07:49:24,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,656 - INFO - moving on ...
-2024-12-03 07:49:24,656 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 07:49:24,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,657 - INFO - number of orbitals:  119
-2024-12-03 07:49:24,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,657 - INFO - moving on ...
-2024-12-03 07:49:24,657 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 07:49:24,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,658 - INFO - number of orbitals:  62
-2024-12-03 07:49:24,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,658 - INFO - moving on ...
-2024-12-03 07:49:24,659 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 07:49:24,659 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 07:49:24,659 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 07:49:24,659 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,659 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 07:49:24,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,660 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,660 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 07:49:24,660 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,660 - INFO - moving on ...
-2024-12-03 07:49:24,660 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 07:49:24,660 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 07:49:24,660 - INFO - problem_instance short name: ozone
-2024-12-03 07:49:24,660 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,660 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 07:49:24,660 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,662 - INFO - number of orbitals:  42
-2024-12-03 07:49:24,662 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,662 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,662 - INFO - moving on ...
-2024-12-03 07:49:24,662 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 07:49:24,662 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,662 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,662 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,664 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,664 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,664 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 07:49:24,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 07:49:24,664 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 07:49:24,668 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,668 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,668 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 07:49:24,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,668 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,668 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,670 - INFO - number of orbitals:  90
-2024-12-03 07:49:24,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,670 - INFO - moving on ...
-2024-12-03 07:49:24,670 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 07:49:24,670 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,670 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,670 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,672 - INFO - number of orbitals:  42
-2024-12-03 07:49:24,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,672 - INFO - moving on ...
-2024-12-03 07:49:24,672 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 07:49:24,672 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,672 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,672 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,674 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,674 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,674 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 07:49:24,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 07:49:24,674 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 07:49:24,677 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,678 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,678 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 07:49:24,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,678 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,679 - INFO - number of orbitals:  90
-2024-12-03 07:49:24,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,679 - INFO - moving on ...
-2024-12-03 07:49:24,680 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 07:49:24,680 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 07:49:24,680 - INFO - problem_instance short name: Cu_1
-2024-12-03 07:49:24,680 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,680 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 07:49:24,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,681 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,681 - INFO - moving on ...
-2024-12-03 07:49:24,681 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 07:49:24,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,682 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,682 - INFO - moving on ...
-2024-12-03 07:49:24,682 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 07:49:24,682 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 07:49:24,682 - INFO - problem_instance short name: c_h4_0
-2024-12-03 07:49:24,682 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,683 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 07:49:24,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,684 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,684 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,684 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,684 - INFO - moving on ...
-2024-12-03 07:49:24,684 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 07:49:24,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,685 - INFO - number of orbitals:  86
-2024-12-03 07:49:24,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,685 - INFO - moving on ...
-2024-12-03 07:49:24,685 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 07:49:24,685 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 07:49:24,685 - INFO - problem_instance short name: FeO_0
-2024-12-03 07:49:24,685 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,685 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 07:49:24,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,686 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,686 - INFO - moving on ...
-2024-12-03 07:49:24,686 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 07:49:24,687 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 07:49:24,687 - INFO - problem_instance short name: Fe_1
-2024-12-03 07:49:24,687 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,687 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 07:49:24,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,688 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,688 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,688 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,688 - INFO - moving on ...
-2024-12-03 07:49:24,688 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 07:49:24,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,689 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,689 - INFO - moving on ...
-2024-12-03 07:49:24,689 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 07:49:24,689 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 07:49:24,689 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 07:49:24,689 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,689 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 07:49:24,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,691 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,691 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,691 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 07:49:24,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 07:49:24,691 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 07:49:24,694 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,695 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,695 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 07:49:24,695 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 07:49:24,695 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 07:49:24,695 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,695 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 07:49:24,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,696 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,696 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,696 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-03 07:49:24,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-03 07:49:24,696 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-03 07:49:24,700 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,700 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,700 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-03 07:49:24,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-03 07:49:24,700 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,700 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 07:49:24,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,702 - INFO - number of orbitals:  119
-2024-12-03 07:49:24,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,702 - INFO - moving on ...
-2024-12-03 07:49:24,702 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 07:49:24,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,703 - INFO - number of orbitals:  62
-2024-12-03 07:49:24,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,703 - INFO - moving on ...
-2024-12-03 07:49:24,703 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 07:49:24,703 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 07:49:24,703 - INFO - problem_instance short name: MnO_0
-2024-12-03 07:49:24,703 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,703 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 07:49:24,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,704 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,705 - INFO - moving on ...
-2024-12-03 07:49:24,705 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 07:49:24,705 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 07:49:24,705 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 07:49:24,705 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,705 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 07:49:24,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,707 - INFO - number of orbitals:  55
-2024-12-03 07:49:24,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,707 - INFO - moving on ...
-2024-12-03 07:49:24,707 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 07:49:24,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,707 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,707 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,709 - INFO - number of orbitals:  70
-2024-12-03 07:49:24,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,709 - INFO - moving on ...
-2024-12-03 07:49:24,709 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 07:49:24,709 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,709 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,709 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,711 - INFO - number of orbitals:  55
-2024-12-03 07:49:24,711 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,711 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,711 - INFO - moving on ...
-2024-12-03 07:49:24,711 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 07:49:24,711 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,711 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,711 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,713 - INFO - number of orbitals:  69
-2024-12-03 07:49:24,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,713 - INFO - moving on ...
-2024-12-03 07:49:24,713 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 07:49:24,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,713 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,713 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,714 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,714 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,714 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,714 - INFO - moving on ...
-2024-12-03 07:49:24,714 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 07:49:24,714 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,716 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,716 - INFO - moving on ...
-2024-12-03 07:49:24,716 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 07:49:24,716 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,716 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,716 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,718 - INFO - number of orbitals:  55
-2024-12-03 07:49:24,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,718 - INFO - moving on ...
-2024-12-03 07:49:24,718 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 07:49:24,718 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,720 - INFO - number of orbitals:  69
-2024-12-03 07:49:24,720 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,720 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,720 - INFO - moving on ...
-2024-12-03 07:49:24,720 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 07:49:24,720 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,720 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,720 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,721 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,722 - INFO - moving on ...
-2024-12-03 07:49:24,722 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 07:49:24,722 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,722 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,722 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,723 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,723 - INFO - moving on ...
-2024-12-03 07:49:24,723 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 07:49:24,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,724 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,724 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,725 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,725 - INFO - moving on ...
-2024-12-03 07:49:24,725 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 07:49:24,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,727 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,727 - INFO - moving on ...
-2024-12-03 07:49:24,727 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 07:49:24,727 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,727 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,727 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,729 - INFO - number of orbitals:  31
-2024-12-03 07:49:24,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,729 - INFO - moving on ...
-2024-12-03 07:49:24,729 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 07:49:24,729 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,729 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,729 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,731 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,732 - INFO - moving on ...
-2024-12-03 07:49:24,732 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 07:49:24,732 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,732 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,732 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,734 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,734 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,734 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 07:49:24,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 07:49:24,734 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 07:49:24,739 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,739 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,739 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 07:49:24,739 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,739 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,739 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,741 - INFO - number of orbitals:  39
-2024-12-03 07:49:24,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,741 - INFO - moving on ...
-2024-12-03 07:49:24,741 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 07:49:24,741 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 07:49:24,741 - INFO - problem_instance short name: f2_0
-2024-12-03 07:49:24,741 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,741 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 07:49:24,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,743 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,743 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,743 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-03 07:49:24,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-03 07:49:24,743 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-03 07:49:24,747 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,747 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,747 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-03 07:49:24,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-03 07:49:24,747 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,747 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 07:49:24,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,748 - INFO - number of orbitals:  110
-2024-12-03 07:49:24,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,748 - INFO - moving on ...
-2024-12-03 07:49:24,748 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 07:49:24,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,750 - INFO - number of orbitals:  60
-2024-12-03 07:49:24,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,750 - INFO - moving on ...
-2024-12-03 07:49:24,750 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 07:49:24,750 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 07:49:24,750 - INFO - problem_instance short name: li_h_0
-2024-12-03 07:49:24,750 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,750 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 07:49:24,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,751 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,751 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,751 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 07:49:24,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 07:49:24,751 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 07:49:24,755 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,756 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,756 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 07:49:24,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 07:49:24,756 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,756 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 07:49:24,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,757 - INFO - number of orbitals:  85
-2024-12-03 07:49:24,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,757 - INFO - moving on ...
-2024-12-03 07:49:24,757 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 07:49:24,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,758 - INFO - number of orbitals:  44
-2024-12-03 07:49:24,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,758 - INFO - moving on ...
-2024-12-03 07:49:24,759 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 07:49:24,759 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 07:49:24,759 - INFO - problem_instance short name: na_cl_0
-2024-12-03 07:49:24,759 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,759 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 07:49:24,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,760 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,760 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,760 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,760 - INFO - moving on ...
-2024-12-03 07:49:24,760 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 07:49:24,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,761 - INFO - number of orbitals:  118
-2024-12-03 07:49:24,761 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,761 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,761 - INFO - moving on ...
-2024-12-03 07:49:24,761 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 07:49:24,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,763 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,763 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,763 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,763 - INFO - moving on ...
-2024-12-03 07:49:24,763 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 07:49:24,763 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 07:49:24,763 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 07:49:24,763 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,763 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 07:49:24,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,764 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,764 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,764 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 07:49:24,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 07:49:24,764 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 07:49:24,768 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,768 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,769 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 07:49:24,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 07:49:24,769 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,769 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 07:49:24,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,770 - INFO - number of orbitals:  115
-2024-12-03 07:49:24,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,770 - INFO - moving on ...
-2024-12-03 07:49:24,770 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 07:49:24,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,772 - INFO - number of orbitals:  58
-2024-12-03 07:49:24,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,772 - INFO - moving on ...
-2024-12-03 07:49:24,772 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 07:49:24,772 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 07:49:24,772 - INFO - problem_instance short name: c_o2_0
-2024-12-03 07:49:24,772 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,772 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 07:49:24,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,773 - INFO - number of orbitals:  42
-2024-12-03 07:49:24,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,773 - INFO - moving on ...
-2024-12-03 07:49:24,773 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 07:49:24,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,775 - INFO - number of orbitals:  90
-2024-12-03 07:49:24,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,775 - INFO - moving on ...
-2024-12-03 07:49:24,775 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 07:49:24,775 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 07:49:24,775 - INFO - problem_instance short name: CuO_0
-2024-12-03 07:49:24,775 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,775 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 07:49:24,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,776 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,776 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,777 - INFO - moving on ...
-2024-12-03 07:49:24,777 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 07:49:24,777 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 07:49:24,777 - INFO - problem_instance short name: h_f_0
-2024-12-03 07:49:24,777 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,777 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 07:49:24,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,778 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,778 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,778 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 07:49:24,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 07:49:24,778 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 07:49:24,782 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,783 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,783 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 07:49:24,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 07:49:24,783 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,783 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 07:49:24,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,784 - INFO - number of orbitals:  85
-2024-12-03 07:49:24,784 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,784 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,784 - INFO - moving on ...
-2024-12-03 07:49:24,784 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 07:49:24,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,786 - INFO - number of orbitals:  44
-2024-12-03 07:49:24,786 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,786 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,786 - INFO - moving on ...
-2024-12-03 07:49:24,786 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 07:49:24,786 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 07:49:24,786 - INFO - problem_instance short name: Cu_0
-2024-12-03 07:49:24,786 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,786 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 07:49:24,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,788 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,788 - INFO - moving on ...
-2024-12-03 07:49:24,788 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 07:49:24,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,789 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,789 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,789 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,789 - INFO - moving on ...
-2024-12-03 07:49:24,789 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 07:49:24,789 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 07:49:24,789 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 07:49:24,789 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,789 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 07:49:24,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,790 - INFO - number of orbitals:  47
-2024-12-03 07:49:24,791 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,791 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,791 - INFO - moving on ...
-2024-12-03 07:49:24,791 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 07:49:24,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,792 - INFO - number of orbitals:  106
-2024-12-03 07:49:24,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,792 - INFO - moving on ...
-2024-12-03 07:49:24,792 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 07:49:24,792 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 07:49:24,792 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 07:49:24,792 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,792 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 07:49:24,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,793 - INFO - number of orbitals:  33
-2024-12-03 07:49:24,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,793 - INFO - moving on ...
-2024-12-03 07:49:24,794 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 07:49:24,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,795 - INFO - number of orbitals:  74
-2024-12-03 07:49:24,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,795 - INFO - moving on ...
-2024-12-03 07:49:24,795 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 07:49:24,795 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 07:49:24,795 - INFO - problem_instance short name: Cr_0
-2024-12-03 07:49:24,795 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,795 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 07:49:24,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,796 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,796 - INFO - moving on ...
-2024-12-03 07:49:24,796 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 07:49:24,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,797 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,797 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,797 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,797 - INFO - moving on ...
-2024-12-03 07:49:24,797 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 07:49:24,798 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 07:49:24,798 - INFO - problem_instance short name: c_o_0
-2024-12-03 07:49:24,798 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,798 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 07:49:24,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,799 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,799 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,799 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-03 07:49:24,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-03 07:49:24,799 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-03 07:49:24,803 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,803 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,803 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-03 07:49:24,803 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-03 07:49:24,803 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,803 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 07:49:24,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,804 - INFO - number of orbitals:  110
-2024-12-03 07:49:24,804 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,804 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,804 - INFO - moving on ...
-2024-12-03 07:49:24,804 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 07:49:24,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,806 - INFO - number of orbitals:  60
-2024-12-03 07:49:24,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,806 - INFO - moving on ...
-2024-12-03 07:49:24,806 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 07:49:24,806 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 07:49:24,806 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 07:49:24,806 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,806 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 07:49:24,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,807 - INFO - number of orbitals:  48
-2024-12-03 07:49:24,807 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,807 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,807 - INFO - moving on ...
-2024-12-03 07:49:24,807 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 07:49:24,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,809 - INFO - number of orbitals:  116
-2024-12-03 07:49:24,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,809 - INFO - moving on ...
-2024-12-03 07:49:24,809 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 07:49:24,809 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 07:49:24,809 - INFO - problem_instance short name: Mn_0
-2024-12-03 07:49:24,809 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,809 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 07:49:24,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,810 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,810 - INFO - moving on ...
-2024-12-03 07:49:24,810 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 07:49:24,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,811 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,812 - INFO - moving on ...
-2024-12-03 07:49:24,812 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 07:49:24,812 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 07:49:24,812 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 07:49:24,812 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,812 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 07:49:24,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,813 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,813 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,813 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 07:49:24,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 07:49:24,813 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 07:49:24,821 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,821 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,821 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 07:49:24,821 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 07:49:24,821 - INFO - problem_instance short name: Sc_0
-2024-12-03 07:49:24,821 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,821 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 07:49:24,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,823 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,823 - INFO - moving on ...
-2024-12-03 07:49:24,823 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 07:49:24,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,824 - INFO - number of orbitals:  135
-2024-12-03 07:49:24,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,824 - INFO - moving on ...
-2024-12-03 07:49:24,824 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 07:49:24,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,825 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,826 - INFO - moving on ...
-2024-12-03 07:49:24,826 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 07:49:24,826 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 07:49:24,826 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 07:49:24,826 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,826 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 07:49:24,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,827 - INFO - number of orbitals:  38
-2024-12-03 07:49:24,827 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,827 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,827 - INFO - moving on ...
-2024-12-03 07:49:24,827 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 07:49:24,828 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,828 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,829 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,829 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,829 - INFO - moving on ...
-2024-12-03 07:49:24,829 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 07:49:24,829 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 07:49:24,829 - INFO - problem_instance short name: O_0
-2024-12-03 07:49:24,829 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,829 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 07:49:24,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,830 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,830 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,830 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-03 07:49:24,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-03 07:49:24,830 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-03 07:49:24,834 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,834 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,834 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-03 07:49:24,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-03 07:49:24,834 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,834 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 07:49:24,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,836 - INFO - number of orbitals:  79
-2024-12-03 07:49:24,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,836 - INFO - moving on ...
-2024-12-03 07:49:24,836 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 07:49:24,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,837 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,837 - INFO - moving on ...
-2024-12-03 07:49:24,837 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 07:49:24,837 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 07:49:24,837 - INFO - problem_instance short name: ru_macho
-2024-12-03 07:49:24,837 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,837 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 07:49:24,837 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,838 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,838 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,839 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,839 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,839 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 07:49:24,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 07:49:24,839 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 07:49:24,843 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,843 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,843 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 07:49:24,843 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,843 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,844 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,845 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,845 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,845 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 07:49:24,845 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 07:49:24,845 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 07:49:24,849 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,849 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,849 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 07:49:24,849 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,849 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,849 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,851 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,851 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,851 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 07:49:24,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 07:49:24,851 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 07:49:24,855 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,855 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,855 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 07:49:24,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,855 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,855 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,857 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,857 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,857 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 07:49:24,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 07:49:24,857 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 07:49:24,861 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,862 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,862 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 07:49:24,862 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,862 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,862 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,864 - INFO - number of orbitals:  33
-2024-12-03 07:49:24,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,864 - INFO - moving on ...
-2024-12-03 07:49:24,864 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 07:49:24,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,866 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,866 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,866 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 07:49:24,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 07:49:24,866 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 07:49:24,870 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,870 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,871 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 07:49:24,871 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,872 - INFO - number of orbitals:  45
-2024-12-03 07:49:24,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,873 - INFO - moving on ...
-2024-12-03 07:49:24,873 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 07:49:24,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,874 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,874 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,874 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 07:49:24,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 07:49:24,875 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 07:49:24,878 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,879 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,879 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 07:49:24,879 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,879 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,879 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,880 - INFO - number of orbitals:  42
-2024-12-03 07:49:24,881 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,881 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,881 - INFO - moving on ...
-2024-12-03 07:49:24,881 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 07:49:24,881 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 07:49:24,881 - INFO - problem_instance short name: si_h4_0
-2024-12-03 07:49:24,881 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,881 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 07:49:24,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,882 - INFO - number of orbitals:  38
-2024-12-03 07:49:24,882 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,882 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,882 - INFO - moving on ...
-2024-12-03 07:49:24,882 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 07:49:24,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,883 - INFO - number of orbitals:  90
-2024-12-03 07:49:24,883 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,884 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,884 - INFO - moving on ...
-2024-12-03 07:49:24,884 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 07:49:24,884 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 07:49:24,884 - INFO - problem_instance short name: blue_dimer
-2024-12-03 07:49:24,884 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,884 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 07:49:24,884 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,884 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,884 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,886 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,886 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,886 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 07:49:24,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 07:49:24,886 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 07:49:24,890 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,890 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,890 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 07:49:24,890 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,890 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,890 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,892 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,892 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,892 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 07:49:24,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 07:49:24,892 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 07:49:24,896 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,896 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,896 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 07:49:24,896 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,897 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,897 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,898 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,898 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,898 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,898 - INFO - moving on ...
-2024-12-03 07:49:24,898 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 07:49:24,898 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,899 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,899 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,900 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,900 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,900 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,900 - INFO - moving on ...
-2024-12-03 07:49:24,900 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 07:49:24,900 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,900 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,901 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,902 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,902 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,902 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 07:49:24,902 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 07:49:24,902 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 07:49:24,906 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,907 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,907 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 07:49:24,907 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,907 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,907 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,909 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,909 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,909 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 07:49:24,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 07:49:24,909 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 07:49:24,913 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,913 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,913 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 07:49:24,913 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,913 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,913 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,914 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,915 - INFO - moving on ...
-2024-12-03 07:49:24,915 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 07:49:24,915 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,915 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,915 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,916 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,916 - INFO - moving on ...
-2024-12-03 07:49:24,916 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 07:49:24,916 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,918 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,918 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,918 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 07:49:24,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 07:49:24,918 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 07:49:24,922 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,922 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,922 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 07:49:24,922 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,922 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,922 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,924 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,924 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,924 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-03 07:49:24,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-03 07:49:24,924 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-03 07:49:24,927 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,928 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,928 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 07:49:24,928 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,928 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,928 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,929 - INFO - number of orbitals:  34
-2024-12-03 07:49:24,929 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,929 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,929 - INFO - moving on ...
-2024-12-03 07:49:24,929 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 07:49:24,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,930 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,931 - INFO - number of orbitals:  36
-2024-12-03 07:49:24,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,931 - INFO - moving on ...
-2024-12-03 07:49:24,931 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 07:49:24,931 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 07:49:24,931 - INFO - problem_instance short name: Ti_1
-2024-12-03 07:49:24,931 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,931 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 07:49:24,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,933 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,933 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,933 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,933 - INFO - moving on ...
-2024-12-03 07:49:24,933 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 07:49:24,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,934 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,934 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,934 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,934 - INFO - moving on ...
-2024-12-03 07:49:24,934 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 07:49:24,934 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 07:49:24,934 - INFO - problem_instance short name: Cr_1
-2024-12-03 07:49:24,934 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,934 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 07:49:24,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,935 - INFO - number of orbitals:  54
-2024-12-03 07:49:24,935 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,935 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,935 - INFO - moving on ...
-2024-12-03 07:49:24,936 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 07:49:24,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,937 - INFO - number of orbitals:  135
-2024-12-03 07:49:24,937 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,937 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,937 - INFO - moving on ...
-2024-12-03 07:49:24,937 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 07:49:24,938 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,938 - INFO - number of orbitals:  88
-2024-12-03 07:49:24,938 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,938 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,938 - INFO - moving on ...
-2024-12-03 07:49:24,938 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 07:49:24,938 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 07:49:24,938 - INFO - problem_instance short name: h2_o_0
-2024-12-03 07:49:24,938 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,938 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 07:49:24,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,939 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,940 - INFO - number of supporting files: 2
-2024-12-03 07:49:24,940 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 07:49:24,940 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 07:49:24,940 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 07:49:24,943 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,944 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,944 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 07:49:24,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 07:49:24,944 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:24,944 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 07:49:24,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,945 - INFO - number of orbitals:  115
-2024-12-03 07:49:24,945 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,945 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,945 - INFO - moving on ...
-2024-12-03 07:49:24,945 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 07:49:24,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,947 - INFO - number of orbitals:  58
-2024-12-03 07:49:24,947 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,947 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,947 - INFO - moving on ...
-2024-12-03 07:49:24,947 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 07:49:24,947 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 07:49:24,947 - INFO - problem_instance short name: VO_0
-2024-12-03 07:49:24,947 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,947 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 07:49:24,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,949 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,949 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,949 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,949 - INFO - moving on ...
-2024-12-03 07:49:24,949 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 07:49:24,949 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 07:49:24,949 - INFO - problem_instance short name: cr_dimer
-2024-12-03 07:49:24,949 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,949 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 07:49:24,949 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,949 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,949 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,951 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,951 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,951 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 07:49:24,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 07:49:24,951 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 07:49:24,955 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,955 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,955 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 07:49:24,956 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,956 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,956 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,957 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,957 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,957 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-03 07:49:24,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-03 07:49:24,957 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-03 07:49:24,961 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,961 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,961 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 07:49:24,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,963 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,963 - INFO - moving on ...
-2024-12-03 07:49:24,963 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 07:49:24,963 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,964 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,964 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,965 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,965 - INFO - moving on ...
-2024-12-03 07:49:24,965 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 07:49:24,965 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,966 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,966 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,967 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,967 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,967 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 07:49:24,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 07:49:24,967 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 07:49:24,971 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,972 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,972 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 07:49:24,972 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,972 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,972 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,973 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,973 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,973 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-03 07:49:24,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-03 07:49:24,973 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-03 07:49:24,977 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,977 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,977 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 07:49:24,977 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,977 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,977 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,979 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,979 - INFO - moving on ...
-2024-12-03 07:49:24,979 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 07:49:24,979 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,979 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,979 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,981 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,981 - INFO - moving on ...
-2024-12-03 07:49:24,981 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 07:49:24,981 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,983 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,983 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,983 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 07:49:24,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 07:49:24,983 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 07:49:24,987 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,987 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,987 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 07:49:24,987 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,987 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,987 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,989 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,989 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,989 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-03 07:49:24,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-03 07:49:24,989 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-03 07:49:24,992 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:24,992 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-03 07:49:24,993 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 07:49:24,993 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,993 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,993 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,994 - INFO - number of orbitals:  68
-2024-12-03 07:49:24,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,994 - INFO - moving on ...
-2024-12-03 07:49:24,994 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 07:49:24,994 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,994 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,994 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,996 - INFO - number of orbitals:  76
-2024-12-03 07:49:24,996 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:24,996 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:24,996 - INFO - moving on ...
-2024-12-03 07:49:24,996 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 07:49:24,996 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 07:49:24,996 - INFO - problem_instance short name: benzene
-2024-12-03 07:49:24,996 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:24,996 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 07:49:24,996 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:24,996 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:24,996 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:24,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:24,998 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:24,998 - INFO - number of supporting files: 1
-2024-12-03 07:49:24,998 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-03 07:49:24,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-03 07:49:24,998 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-03 07:49:25,002 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,002 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-03 07:49:25,002 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 07:49:25,002 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,002 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,002 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,004 - INFO - number of orbitals:  108
-2024-12-03 07:49:25,004 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,004 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,004 - INFO - moving on ...
-2024-12-03 07:49:25,004 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 07:49:25,004 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 07:49:25,004 - INFO - problem_instance short name: n2_0
-2024-12-03 07:49:25,004 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,004 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 07:49:25,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,005 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:25,005 - INFO - number of supporting files: 2
-2024-12-03 07:49:25,005 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-03 07:49:25,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-03 07:49:25,005 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-03 07:49:25,009 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,009 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-03 07:49:25,009 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-03 07:49:25,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-03 07:49:25,009 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:25,010 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 07:49:25,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,011 - INFO - number of orbitals:  110
-2024-12-03 07:49:25,011 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,011 - INFO - moving on ...
-2024-12-03 07:49:25,011 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 07:49:25,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,012 - INFO - number of orbitals:  60
-2024-12-03 07:49:25,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,012 - INFO - moving on ...
-2024-12-03 07:49:25,012 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 07:49:25,012 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 07:49:25,012 - INFO - problem_instance short name: V_1
-2024-12-03 07:49:25,012 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,012 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 07:49:25,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,013 - INFO - number of orbitals:  54
-2024-12-03 07:49:25,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,013 - INFO - moving on ...
-2024-12-03 07:49:25,013 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 07:49:25,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,015 - INFO - number of orbitals:  88
-2024-12-03 07:49:25,015 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,015 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,015 - INFO - moving on ...
-2024-12-03 07:49:25,015 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 07:49:25,015 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 07:49:25,015 - INFO - problem_instance short name: V_0
-2024-12-03 07:49:25,015 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,015 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 07:49:25,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,016 - INFO - number of orbitals:  54
-2024-12-03 07:49:25,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,016 - INFO - moving on ...
-2024-12-03 07:49:25,016 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 07:49:25,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,017 - INFO - number of orbitals:  88
-2024-12-03 07:49:25,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,018 - INFO - moving on ...
-2024-12-03 07:49:25,018 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 07:49:25,018 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 07:49:25,018 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 07:49:25,018 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,018 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 07:49:25,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,019 - INFO - number of orbitals:  48
-2024-12-03 07:49:25,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,019 - INFO - moving on ...
-2024-12-03 07:49:25,019 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 07:49:25,019 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 07:49:25,019 - INFO - problem_instance short name: li2_0
-2024-12-03 07:49:25,019 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,020 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 07:49:25,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,021 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:25,021 - INFO - number of supporting files: 2
-2024-12-03 07:49:25,021 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-03 07:49:25,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-03 07:49:25,021 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-03 07:49:25,025 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,025 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-03 07:49:25,025 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-03 07:49:25,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-03 07:49:25,025 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:49:25,025 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 07:49:25,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,026 - INFO - number of orbitals:  110
-2024-12-03 07:49:25,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,026 - INFO - moving on ...
-2024-12-03 07:49:25,026 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 07:49:25,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,027 - INFO - number of orbitals:  60
-2024-12-03 07:49:25,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,027 - INFO - moving on ...
-2024-12-03 07:49:25,027 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 07:49:25,028 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 07:49:25,028 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 07:49:25,028 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,028 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 07:49:25,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,029 - INFO - number of orbitals:  69
-2024-12-03 07:49:25,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,029 - INFO - moving on ...
-2024-12-03 07:49:25,029 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 07:49:25,029 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 07:49:25,029 - INFO - problem_instance short name: mn_mono
-2024-12-03 07:49:25,029 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,029 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 07:49:25,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,031 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:25,031 - INFO - number of supporting files: 1
-2024-12-03 07:49:25,031 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 07:49:25,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 07:49:25,031 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 07:49:25,035 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,035 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 07:49:25,035 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 07:49:25,035 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,035 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,035 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,037 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:25,037 - INFO - number of supporting files: 1
-2024-12-03 07:49:25,037 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-03 07:49:25,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-03 07:49:25,037 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-03 07:49:25,041 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,041 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-03 07:49:25,041 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 07:49:25,041 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,041 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,041 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,043 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:25,043 - INFO - number of supporting files: 1
-2024-12-03 07:49:25,043 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 07:49:25,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 07:49:25,043 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 07:49:25,046 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,047 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 07:49:25,047 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 07:49:25,047 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,047 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,047 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,048 - INFO - number of orbitals:  31
-2024-12-03 07:49:25,048 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,049 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,049 - INFO - moving on ...
-2024-12-03 07:49:25,049 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 07:49:25,049 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,049 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,050 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:25,051 - INFO - number of supporting files: 1
-2024-12-03 07:49:25,051 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 07:49:25,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 07:49:25,051 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 07:49:25,054 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,055 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 07:49:25,055 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 07:49:25,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,055 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,055 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,057 - INFO - number of orbitals:  31
-2024-12-03 07:49:25,057 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,057 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,057 - INFO - moving on ...
-2024-12-03 07:49:25,057 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 07:49:25,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,057 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,059 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:25,059 - INFO - number of supporting files: 1
-2024-12-03 07:49:25,059 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 07:49:25,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 07:49:25,059 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 07:49:25,063 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,063 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 07:49:25,063 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 07:49:25,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,065 - INFO - number of orbitals:  31
-2024-12-03 07:49:25,065 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,065 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,065 - INFO - moving on ...
-2024-12-03 07:49:25,065 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 07:49:25,065 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 07:49:25,065 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 07:49:25,065 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,065 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 07:49:25,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,066 - INFO - number of orbitals:  70
-2024-12-03 07:49:25,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,066 - INFO - moving on ...
-2024-12-03 07:49:25,066 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 07:49:25,067 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 07:49:25,067 - INFO - problem_instance short name: mo_n2
-2024-12-03 07:49:25,067 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,067 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 07:49:25,067 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,067 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,067 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,068 - INFO - number of orbitals:  31
-2024-12-03 07:49:25,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,069 - INFO - moving on ...
-2024-12-03 07:49:25,069 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 07:49:25,069 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,069 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,069 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,070 - INFO - number of orbitals:  46
-2024-12-03 07:49:25,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,071 - INFO - moving on ...
-2024-12-03 07:49:25,071 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 07:49:25,071 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,071 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,071 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,072 - INFO - number of orbitals:  46
-2024-12-03 07:49:25,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,073 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,073 - INFO - moving on ...
-2024-12-03 07:49:25,073 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 07:49:25,073 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:49:25,073 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:49:25,073 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:49:25,074 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,074 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:25,074 - INFO - number of supporting files: 1
-2024-12-03 07:49:25,074 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-03 07:49:25,074 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-03 07:49:25,074 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-03 07:49:25,078 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,078 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-03 07:49:25,078 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 07:49:25,078 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 07:49:25,078 - INFO - problem_instance short name: p_h3_0
-2024-12-03 07:49:25,078 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,079 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 07:49:25,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,080 - INFO - number of orbitals:  33
-2024-12-03 07:49:25,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,080 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,080 - INFO - moving on ...
-2024-12-03 07:49:25,080 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 07:49:25,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,081 - INFO - number of orbitals:  76
-2024-12-03 07:49:25,081 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,081 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,081 - INFO - moving on ...
-2024-12-03 07:49:25,081 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 07:49:25,081 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 07:49:25,081 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 07:49:25,081 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,081 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 07:49:25,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,082 - INFO - number of orbitals:  38
-2024-12-03 07:49:25,082 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,083 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,083 - INFO - moving on ...
-2024-12-03 07:49:25,083 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 07:49:25,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,084 - INFO - number of orbitals:  88
-2024-12-03 07:49:25,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:49:25,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:49:25,084 - INFO - moving on ...
-2024-12-03 07:49:25,084 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 07:49:25,084 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 07:49:25,084 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 07:49:25,084 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:49:25,084 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 07:49:25,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:49:25,085 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:49:25,085 - INFO - number of supporting files: 1
-2024-12-03 07:49:25,085 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-03 07:49:25,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-03 07:49:25,085 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-03 07:49:25,089 - INFO - number of entries in Hamiltonian_features.csv:  53
-2024-12-03 07:49:25,089 - INFO - did NOT find instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 in database.
-2024-12-03 07:49:25,089 - INFO - Processing instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 ...
-2024-12-03 07:49:25,089 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz...
-2024-12-03 07:49:25,133 - INFO - Connected (version 2.0, client 0)
-2024-12-03 07:49:25,678 - INFO - Authentication (publickey) successful!
-2024-12-03 07:49:25,695 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 07:49:25,791 - INFO - [chan 0] sftp session closed.
-2024-12-03 07:49:25,792 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 07:49:25,792 - INFO - decompressing file fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz...
-2024-12-03 07:49:25,819 - INFO - this script has been running for 0.00 hours.
-2024-12-03 07:49:25,820 - INFO - ===============================================
-2024-12-03 07:49:25,820 - INFO - calculating Hamiltonian features...
-2024-12-03 07:49:25,820 - INFO - reading data from fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7
-2024-12-03 07:49:26,030 - INFO - finished reading FCIDUMP data.
-2024-12-03 07:49:26,031 - INFO - data['NORB']: 30
-2024-12-03 07:49:26,031 - INFO - len(data['H1']): 30
-2024-12-03 07:49:26,031 - INFO - ao2mo.restore...
-2024-12-03 07:49:26,034 - INFO - done.
-2024-12-03 07:49:26,034 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 07:49:26,034 - INFO - done.
-2024-12-03 07:49:26,034 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 07:52:42,631 - INFO - done.
-2024-12-03 07:52:42,631 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 07:52:58,451 - INFO - done.
-2024-12-03 07:52:58,451 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 07:52:59,537 - INFO - done.
-2024-12-03 07:52:59,537 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 07:52:59,648 - INFO - done.
-2024-12-03 07:52:59,648 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 07:52:59,648 - INFO - done.
-2024-12-03 07:52:59,649 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 07:52:59,649 - INFO - done.
-2024-12-03 07:52:59,780 - INFO - Hamiltonian features calculation run time (seconds): 213.960342
-2024-12-03 07:52:59,780 - INFO - wrote df_eigs to file: df_eigs.eea867d0-285e-462d-94ab-15579c782be7.bin
-2024-12-03 07:52:59,780 - INFO - deleting file fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-03 07:52:59,781 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 07:52:59,785 - INFO - this script has been running for 0.06 hours.
-2024-12-03 07:52:59,785 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 07:52:59,785 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 07:52:59,785 - INFO - problem_instance short name: ScO_0
-2024-12-03 07:52:59,785 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,785 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 07:52:59,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,787 - INFO - number of orbitals:  76
-2024-12-03 07:52:59,787 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,787 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,787 - INFO - moving on ...
-2024-12-03 07:52:59,787 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 07:52:59,787 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 07:52:59,787 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 07:52:59,787 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,788 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 07:52:59,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,789 - INFO - number of orbitals:  52
-2024-12-03 07:52:59,789 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,789 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,789 - INFO - moving on ...
-2024-12-03 07:52:59,789 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 07:52:59,790 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 07:52:59,790 - INFO - problem_instance short name: p2_0
-2024-12-03 07:52:59,790 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,790 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 07:52:59,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,793 - INFO - number of orbitals:  36
-2024-12-03 07:52:59,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,793 - INFO - moving on ...
-2024-12-03 07:52:59,793 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 07:52:59,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,795 - INFO - number of orbitals:  118
-2024-12-03 07:52:59,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,795 - INFO - moving on ...
-2024-12-03 07:52:59,795 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 07:52:59,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,796 - INFO - number of orbitals:  68
-2024-12-03 07:52:59,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,796 - INFO - moving on ...
-2024-12-03 07:52:59,796 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 07:52:59,797 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 07:52:59,797 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 07:52:59,797 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,797 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 07:52:59,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,798 - INFO - number of orbitals:  69
-2024-12-03 07:52:59,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,798 - INFO - moving on ...
-2024-12-03 07:52:59,798 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 07:52:59,799 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 07:52:59,799 - INFO - problem_instance short name: mo2_n2
-2024-12-03 07:52:59,799 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,800 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 07:52:59,800 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,800 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,800 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,803 - INFO - number of orbitals:  69
-2024-12-03 07:52:59,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,803 - INFO - moving on ...
-2024-12-03 07:52:59,803 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 07:52:59,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,805 - INFO - number of orbitals:  70
-2024-12-03 07:52:59,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,806 - INFO - moving on ...
-2024-12-03 07:52:59,806 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 07:52:59,806 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,806 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,806 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,808 - INFO - number of orbitals:  69
-2024-12-03 07:52:59,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,808 - INFO - moving on ...
-2024-12-03 07:52:59,808 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 07:52:59,809 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 07:52:59,809 - INFO - problem_instance short name: Ti_0
-2024-12-03 07:52:59,809 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,809 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 07:52:59,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,811 - INFO - number of orbitals:  54
-2024-12-03 07:52:59,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,811 - INFO - moving on ...
-2024-12-03 07:52:59,811 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 07:52:59,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,813 - INFO - number of orbitals:  88
-2024-12-03 07:52:59,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,813 - INFO - moving on ...
-2024-12-03 07:52:59,813 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 07:52:59,813 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 07:52:59,813 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 07:52:59,813 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,813 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 07:52:59,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,814 - INFO - number of orbitals:  31
-2024-12-03 07:52:59,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,815 - INFO - moving on ...
-2024-12-03 07:52:59,815 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 07:52:59,815 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 07:52:59,815 - INFO - problem_instance short name: si_o_0
-2024-12-03 07:52:59,815 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,815 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 07:52:59,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,816 - INFO - number of orbitals:  32
-2024-12-03 07:52:59,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,816 - INFO - moving on ...
-2024-12-03 07:52:59,816 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 07:52:59,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,818 - INFO - number of orbitals:  114
-2024-12-03 07:52:59,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,818 - INFO - moving on ...
-2024-12-03 07:52:59,818 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 07:52:59,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,819 - INFO - number of orbitals:  64
-2024-12-03 07:52:59,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,819 - INFO - moving on ...
-2024-12-03 07:52:59,819 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 07:52:59,820 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 07:52:59,820 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 07:52:59,820 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,820 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 07:52:59,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,821 - INFO - number of orbitals:  48
-2024-12-03 07:52:59,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,821 - INFO - moving on ...
-2024-12-03 07:52:59,821 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 07:52:59,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,823 - INFO - number of orbitals:  116
-2024-12-03 07:52:59,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,824 - INFO - moving on ...
-2024-12-03 07:52:59,824 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 07:52:59,824 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 07:52:59,824 - INFO - problem_instance short name: c_s_0
-2024-12-03 07:52:59,824 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,824 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 07:52:59,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,834 - INFO - number of orbitals:  32
-2024-12-03 07:52:59,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,834 - INFO - moving on ...
-2024-12-03 07:52:59,834 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 07:52:59,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,836 - INFO - number of orbitals:  64
-2024-12-03 07:52:59,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,836 - INFO - moving on ...
-2024-12-03 07:52:59,836 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 07:52:59,836 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 07:52:59,836 - INFO - problem_instance short name: CrO_0
-2024-12-03 07:52:59,836 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,836 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 07:52:59,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,838 - INFO - number of orbitals:  76
-2024-12-03 07:52:59,838 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,838 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,838 - INFO - moving on ...
-2024-12-03 07:52:59,838 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 07:52:59,838 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 07:52:59,838 - INFO - problem_instance short name: li_f_0
-2024-12-03 07:52:59,838 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,838 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 07:52:59,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,839 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,840 - INFO - number of supporting files: 2
-2024-12-03 07:52:59,840 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-03 07:52:59,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-03 07:52:59,840 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-03 07:52:59,844 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,845 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,845 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-03 07:52:59,845 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-03 07:52:59,845 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:52:59,845 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 07:52:59,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,848 - INFO - number of orbitals:  110
-2024-12-03 07:52:59,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,848 - INFO - moving on ...
-2024-12-03 07:52:59,848 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 07:52:59,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,850 - INFO - number of orbitals:  60
-2024-12-03 07:52:59,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,850 - INFO - moving on ...
-2024-12-03 07:52:59,850 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 07:52:59,851 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 07:52:59,851 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 07:52:59,851 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,851 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 07:52:59,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,852 - INFO - number of orbitals:  37
-2024-12-03 07:52:59,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,853 - INFO - moving on ...
-2024-12-03 07:52:59,853 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 07:52:59,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,854 - INFO - number of orbitals:  78
-2024-12-03 07:52:59,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,854 - INFO - moving on ...
-2024-12-03 07:52:59,854 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 07:52:59,855 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 07:52:59,855 - INFO - problem_instance short name: be_0
-2024-12-03 07:52:59,855 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,855 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 07:52:59,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,856 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,856 - INFO - number of supporting files: 2
-2024-12-03 07:52:59,856 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 07:52:59,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 07:52:59,856 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 07:52:59,860 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,860 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,860 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 07:52:59,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 07:52:59,860 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:52:59,860 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 07:52:59,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,862 - INFO - number of orbitals:  55
-2024-12-03 07:52:59,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,862 - INFO - moving on ...
-2024-12-03 07:52:59,862 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 07:52:59,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,864 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,864 - INFO - number of supporting files: 2
-2024-12-03 07:52:59,864 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-03 07:52:59,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-03 07:52:59,864 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-03 07:52:59,867 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,867 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,867 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-03 07:52:59,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-03 07:52:59,867 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:52:59,867 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 07:52:59,868 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 07:52:59,868 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 07:52:59,868 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,868 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 07:52:59,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,869 - INFO - number of orbitals:  66
-2024-12-03 07:52:59,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,869 - INFO - moving on ...
-2024-12-03 07:52:59,869 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 07:52:59,869 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 07:52:59,869 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 07:52:59,869 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,869 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 07:52:59,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,871 - INFO - number of orbitals:  38
-2024-12-03 07:52:59,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,871 - INFO - moving on ...
-2024-12-03 07:52:59,871 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 07:52:59,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,872 - INFO - number of orbitals:  88
-2024-12-03 07:52:59,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,872 - INFO - moving on ...
-2024-12-03 07:52:59,872 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 07:52:59,872 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 07:52:59,872 - INFO - problem_instance short name: n_h3_0
-2024-12-03 07:52:59,872 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,872 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 07:52:59,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,874 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,874 - INFO - number of supporting files: 2
-2024-12-03 07:52:59,874 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-03 07:52:59,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-03 07:52:59,874 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-03 07:52:59,877 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,877 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,878 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-03 07:52:59,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-03 07:52:59,878 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:52:59,878 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 07:52:59,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,879 - INFO - number of orbitals:  72
-2024-12-03 07:52:59,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,879 - INFO - moving on ...
-2024-12-03 07:52:59,879 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 07:52:59,879 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 07:52:59,879 - INFO - problem_instance short name: Sc_1
-2024-12-03 07:52:59,879 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,879 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 07:52:59,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,881 - INFO - number of orbitals:  54
-2024-12-03 07:52:59,881 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,881 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,881 - INFO - moving on ...
-2024-12-03 07:52:59,881 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 07:52:59,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,882 - INFO - number of orbitals:  135
-2024-12-03 07:52:59,882 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,882 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,882 - INFO - moving on ...
-2024-12-03 07:52:59,882 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 07:52:59,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,884 - INFO - number of orbitals:  88
-2024-12-03 07:52:59,884 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,884 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,884 - INFO - moving on ...
-2024-12-03 07:52:59,884 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 07:52:59,884 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 07:52:59,884 - INFO - problem_instance short name: cl2_0
-2024-12-03 07:52:59,884 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,884 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 07:52:59,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,885 - INFO - number of orbitals:  36
-2024-12-03 07:52:59,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,886 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,886 - INFO - moving on ...
-2024-12-03 07:52:59,886 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 07:52:59,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,887 - INFO - number of orbitals:  118
-2024-12-03 07:52:59,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,887 - INFO - moving on ...
-2024-12-03 07:52:59,887 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 07:52:59,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,888 - INFO - number of orbitals:  68
-2024-12-03 07:52:59,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,888 - INFO - moving on ...
-2024-12-03 07:52:59,888 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 07:52:59,889 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 07:52:59,889 - INFO - problem_instance short name: fe_red
-2024-12-03 07:52:59,889 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,889 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 07:52:59,889 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,891 - INFO - number of orbitals:  45
-2024-12-03 07:52:59,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,891 - INFO - moving on ...
-2024-12-03 07:52:59,891 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 07:52:59,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,893 - INFO - number of orbitals:  53
-2024-12-03 07:52:59,893 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,893 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,893 - INFO - moving on ...
-2024-12-03 07:52:59,893 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 07:52:59,893 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,893 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,893 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,895 - INFO - number of orbitals:  58
-2024-12-03 07:52:59,896 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,896 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,896 - INFO - moving on ...
-2024-12-03 07:52:59,896 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 07:52:59,896 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,896 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,896 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,898 - INFO - number of orbitals:  44
-2024-12-03 07:52:59,898 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,898 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,898 - INFO - moving on ...
-2024-12-03 07:52:59,898 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 07:52:59,898 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,898 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,898 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,900 - INFO - number of orbitals:  54
-2024-12-03 07:52:59,900 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,900 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,900 - INFO - moving on ...
-2024-12-03 07:52:59,900 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 07:52:59,900 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,900 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,900 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,902 - INFO - number of orbitals:  55
-2024-12-03 07:52:59,902 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,902 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,902 - INFO - moving on ...
-2024-12-03 07:52:59,902 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 07:52:59,902 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,904 - INFO - number of orbitals:  44
-2024-12-03 07:52:59,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,904 - INFO - moving on ...
-2024-12-03 07:52:59,904 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 07:52:59,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,906 - INFO - number of orbitals:  54
-2024-12-03 07:52:59,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,906 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,906 - INFO - moving on ...
-2024-12-03 07:52:59,906 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 07:52:59,906 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,906 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,906 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,908 - INFO - number of orbitals:  55
-2024-12-03 07:52:59,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,908 - INFO - moving on ...
-2024-12-03 07:52:59,908 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 07:52:59,908 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 07:52:59,908 - INFO - problem_instance short name: na2_0
-2024-12-03 07:52:59,908 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,908 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 07:52:59,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,909 - INFO - number of orbitals:  36
-2024-12-03 07:52:59,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,910 - INFO - moving on ...
-2024-12-03 07:52:59,910 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 07:52:59,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,911 - INFO - number of orbitals:  118
-2024-12-03 07:52:59,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,911 - INFO - moving on ...
-2024-12-03 07:52:59,911 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 07:52:59,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,912 - INFO - number of orbitals:  68
-2024-12-03 07:52:59,912 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,912 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,912 - INFO - moving on ...
-2024-12-03 07:52:59,912 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 07:52:59,912 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 07:52:59,912 - INFO - problem_instance short name: h_cl_0
-2024-12-03 07:52:59,912 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,913 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 07:52:59,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,914 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,914 - INFO - number of supporting files: 2
-2024-12-03 07:52:59,914 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 07:52:59,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 07:52:59,914 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 07:52:59,917 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,918 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,918 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 07:52:59,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 07:52:59,918 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:52:59,918 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 07:52:59,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,919 - INFO - number of orbitals:  89
-2024-12-03 07:52:59,919 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,919 - INFO - moving on ...
-2024-12-03 07:52:59,919 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 07:52:59,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,921 - INFO - number of orbitals:  48
-2024-12-03 07:52:59,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,921 - INFO - moving on ...
-2024-12-03 07:52:59,921 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 07:52:59,921 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 07:52:59,921 - INFO - problem_instance short name: TiO_0
-2024-12-03 07:52:59,921 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,921 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 07:52:59,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,922 - INFO - number of orbitals:  76
-2024-12-03 07:52:59,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,923 - INFO - moving on ...
-2024-12-03 07:52:59,923 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 07:52:59,923 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 07:52:59,923 - INFO - problem_instance short name: O_1
-2024-12-03 07:52:59,923 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,923 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 07:52:59,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,924 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,924 - INFO - number of supporting files: 2
-2024-12-03 07:52:59,924 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 07:52:59,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 07:52:59,924 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 07:52:59,928 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,928 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,928 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 07:52:59,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 07:52:59,928 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:52:59,928 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 07:52:59,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,929 - INFO - number of orbitals:  79
-2024-12-03 07:52:59,929 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,929 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,929 - INFO - moving on ...
-2024-12-03 07:52:59,929 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 07:52:59,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,931 - INFO - number of orbitals:  45
-2024-12-03 07:52:59,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,931 - INFO - moving on ...
-2024-12-03 07:52:59,931 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 07:52:59,931 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 07:52:59,931 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 07:52:59,931 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,931 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 07:52:59,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,932 - INFO - number of orbitals:  58
-2024-12-03 07:52:59,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,933 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,933 - INFO - moving on ...
-2024-12-03 07:52:59,933 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 07:52:59,933 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 07:52:59,933 - INFO - problem_instance short name: s_o2_0
-2024-12-03 07:52:59,933 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,933 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 07:52:59,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,934 - INFO - number of orbitals:  46
-2024-12-03 07:52:59,934 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,934 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,934 - INFO - moving on ...
-2024-12-03 07:52:59,934 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 07:52:59,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,935 - INFO - number of orbitals:  94
-2024-12-03 07:52:59,935 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,935 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,935 - INFO - moving on ...
-2024-12-03 07:52:59,936 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 07:52:59,936 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 07:52:59,936 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 07:52:59,936 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,936 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 07:52:59,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,937 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,937 - INFO - number of supporting files: 1
-2024-12-03 07:52:59,937 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 07:52:59,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 07:52:59,937 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 07:52:59,941 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,941 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,941 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 07:52:59,941 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 07:52:59,941 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 07:52:59,941 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,941 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 07:52:59,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,943 - INFO - number of orbitals:  31
-2024-12-03 07:52:59,943 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,943 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,943 - INFO - moving on ...
-2024-12-03 07:52:59,943 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 07:52:59,943 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 07:52:59,943 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 07:52:59,943 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,943 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 07:52:59,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,945 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,945 - INFO - number of supporting files: 1
-2024-12-03 07:52:59,945 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 07:52:59,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 07:52:59,945 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 07:52:59,948 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,948 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,948 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 07:52:59,949 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 07:52:59,949 - INFO - problem_instance short name: Fe_0
-2024-12-03 07:52:59,949 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,949 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 07:52:59,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,950 - INFO - number of orbitals:  54
-2024-12-03 07:52:59,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,950 - INFO - moving on ...
-2024-12-03 07:52:59,950 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 07:52:59,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,951 - INFO - number of orbitals:  88
-2024-12-03 07:52:59,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,951 - INFO - moving on ...
-2024-12-03 07:52:59,951 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 07:52:59,951 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 07:52:59,952 - INFO - problem_instance short name: h2_s_0
-2024-12-03 07:52:59,952 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,952 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 07:52:59,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,953 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,953 - INFO - number of supporting files: 2
-2024-12-03 07:52:59,953 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-03 07:52:59,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-03 07:52:59,953 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-03 07:52:59,956 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,957 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,957 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-03 07:52:59,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-03 07:52:59,957 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:52:59,957 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 07:52:59,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,958 - INFO - number of orbitals:  119
-2024-12-03 07:52:59,958 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,958 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,958 - INFO - moving on ...
-2024-12-03 07:52:59,958 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 07:52:59,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,959 - INFO - number of orbitals:  62
-2024-12-03 07:52:59,959 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,959 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,959 - INFO - moving on ...
-2024-12-03 07:52:59,959 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 07:52:59,960 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 07:52:59,960 - INFO - problem_instance short name: ru_mono
-2024-12-03 07:52:59,960 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,960 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 07:52:59,960 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,960 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,960 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,962 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,962 - INFO - number of supporting files: 1
-2024-12-03 07:52:59,962 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 07:52:59,962 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 07:52:59,962 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 07:52:59,965 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,965 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,965 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 07:52:59,965 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,965 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,965 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,967 - INFO - number of orbitals:  34
-2024-12-03 07:52:59,967 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,967 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,967 - INFO - moving on ...
-2024-12-03 07:52:59,967 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 07:52:59,967 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,967 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,967 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,968 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,969 - INFO - number of supporting files: 1
-2024-12-03 07:52:59,969 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 07:52:59,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 07:52:59,969 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 07:52:59,972 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,972 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,972 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 07:52:59,972 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,972 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,972 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,974 - INFO - number of orbitals:  36
-2024-12-03 07:52:59,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,974 - INFO - moving on ...
-2024-12-03 07:52:59,974 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 07:52:59,974 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,974 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,975 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,975 - INFO - number of supporting files: 1
-2024-12-03 07:52:59,976 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 07:52:59,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 07:52:59,976 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 07:52:59,979 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,979 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,979 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 07:52:59,979 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:52:59,979 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:52:59,979 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:52:59,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,980 - INFO - number of orbitals:  34
-2024-12-03 07:52:59,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,981 - INFO - moving on ...
-2024-12-03 07:52:59,981 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 07:52:59,981 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 07:52:59,981 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 07:52:59,981 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,981 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 07:52:59,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,982 - INFO - number of orbitals:  31
-2024-12-03 07:52:59,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,982 - INFO - moving on ...
-2024-12-03 07:52:59,982 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 07:52:59,982 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 07:52:59,982 - INFO - problem_instance short name: Mn_1
-2024-12-03 07:52:59,982 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,982 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 07:52:59,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,984 - INFO - number of orbitals:  54
-2024-12-03 07:52:59,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,984 - INFO - moving on ...
-2024-12-03 07:52:59,984 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 07:52:59,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,985 - INFO - number of orbitals:  88
-2024-12-03 07:52:59,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 07:52:59,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,985 - INFO - moving on ...
-2024-12-03 07:52:59,985 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 07:52:59,985 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 07:52:59,985 - INFO - problem_instance short name: f2_0
-2024-12-03 07:52:59,985 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,985 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 07:52:59,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,986 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,987 - INFO - number of supporting files: 2
-2024-12-03 07:52:59,987 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-03 07:52:59,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-03 07:52:59,987 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-03 07:52:59,990 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:52:59,990 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-03 07:52:59,990 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-03 07:52:59,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-03 07:52:59,990 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:52:59,990 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 07:52:59,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,991 - INFO - number of orbitals:  110
-2024-12-03 07:52:59,991 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:52:59,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,991 - INFO - moving on ...
-2024-12-03 07:52:59,991 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 07:52:59,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,992 - INFO - number of orbitals:  60
-2024-12-03 07:52:59,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:52:59,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,992 - INFO - moving on ...
-2024-12-03 07:52:59,992 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 07:52:59,993 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 07:52:59,993 - INFO - problem_instance short name: cl2_0
-2024-12-03 07:52:59,993 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,993 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 07:52:59,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,994 - INFO - number of orbitals:  36
-2024-12-03 07:52:59,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:52:59,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,994 - INFO - moving on ...
-2024-12-03 07:52:59,994 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 07:52:59,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,995 - INFO - number of orbitals:  118
-2024-12-03 07:52:59,995 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:52:59,995 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,995 - INFO - moving on ...
-2024-12-03 07:52:59,995 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 07:52:59,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,996 - INFO - number of orbitals:  68
-2024-12-03 07:52:59,996 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:52:59,996 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,996 - INFO - moving on ...
-2024-12-03 07:52:59,996 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 07:52:59,996 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 07:52:59,996 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 07:52:59,996 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,996 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 07:52:59,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,998 - INFO - number of orbitals:  69
-2024-12-03 07:52:59,998 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:52:59,998 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:52:59,998 - INFO - moving on ...
-2024-12-03 07:52:59,998 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 07:52:59,998 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 07:52:59,998 - INFO - problem_instance short name: c_o_0
-2024-12-03 07:52:59,998 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:52:59,998 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 07:52:59,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:52:59,999 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:52:59,999 - INFO - number of supporting files: 2
-2024-12-03 07:52:59,999 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-03 07:52:59,999 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-03 07:52:59,999 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-03 07:53:00,002 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:53:00,003 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-03 07:53:00,003 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-03 07:53:00,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-03 07:53:00,003 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 07:53:00,003 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 07:53:00,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,004 - INFO - number of orbitals:  110
-2024-12-03 07:53:00,004 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:53:00,004 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:53:00,004 - INFO - moving on ...
-2024-12-03 07:53:00,004 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 07:53:00,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,006 - INFO - number of orbitals:  60
-2024-12-03 07:53:00,006 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:53:00,006 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:53:00,006 - INFO - moving on ...
-2024-12-03 07:53:00,006 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 07:53:00,006 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 07:53:00,006 - INFO - problem_instance short name: Sc_1
-2024-12-03 07:53:00,006 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 07:53:00,006 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 07:53:00,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,007 - INFO - number of orbitals:  54
-2024-12-03 07:53:00,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:53:00,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:53:00,007 - INFO - moving on ...
-2024-12-03 07:53:00,007 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 07:53:00,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,009 - INFO - number of orbitals:  135
-2024-12-03 07:53:00,009 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:53:00,009 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:53:00,009 - INFO - moving on ...
-2024-12-03 07:53:00,009 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 07:53:00,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,011 - INFO - number of orbitals:  88
-2024-12-03 07:53:00,011 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:53:00,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:53:00,011 - INFO - moving on ...
-2024-12-03 07:53:00,011 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 07:53:00,011 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 07:53:00,011 - INFO - problem_instance short name: V_1
-2024-12-03 07:53:00,011 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 07:53:00,011 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 07:53:00,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,013 - INFO - number of orbitals:  54
-2024-12-03 07:53:00,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:53:00,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:53:00,013 - INFO - moving on ...
-2024-12-03 07:53:00,013 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 07:53:00,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,015 - INFO - number of orbitals:  88
-2024-12-03 07:53:00,015 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 07:53:00,015 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 07:53:00,015 - INFO - moving on ...
-2024-12-03 07:53:00,015 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 07:53:00,016 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 07:53:00,016 - INFO - problem_instance short name: mn_mono
-2024-12-03 07:53:00,016 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 07:53:00,016 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 07:53:00,016 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:53:00,016 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:53:00,016 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:53:00,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,018 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:53:00,018 - INFO - number of supporting files: 1
-2024-12-03 07:53:00,018 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 07:53:00,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 07:53:00,019 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 07:53:00,023 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:53:00,023 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 07:53:00,023 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 07:53:00,023 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:53:00,023 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:53:00,023 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:53:00,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,025 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:53:00,025 - INFO - number of supporting files: 1
-2024-12-03 07:53:00,025 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-03 07:53:00,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-03 07:53:00,026 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-03 07:53:00,029 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:53:00,029 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-03 07:53:00,029 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 07:53:00,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:53:00,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:53:00,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:53:00,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,031 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:53:00,031 - INFO - number of supporting files: 1
-2024-12-03 07:53:00,031 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 07:53:00,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 07:53:00,031 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 07:53:00,034 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:53:00,034 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 07:53:00,035 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 07:53:00,035 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:53:00,035 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:53:00,035 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:53:00,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:53:00,036 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:53:00,036 - INFO - number of supporting files: 1
-2024-12-03 07:53:00,036 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-03 07:53:00,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-03 07:53:00,037 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-03 07:53:00,040 - INFO - number of entries in Hamiltonian_features.csv:  54
-2024-12-03 07:53:00,040 - INFO - did NOT find instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b in database.
-2024-12-03 07:53:00,040 - INFO - Processing instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b ...
-2024-12-03 07:53:00,040 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz...
-2024-12-03 07:53:00,086 - INFO - Connected (version 2.0, client 0)
-2024-12-03 07:53:00,620 - INFO - Authentication (publickey) successful!
-2024-12-03 07:53:00,634 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 07:53:00,721 - INFO - [chan 0] sftp session closed.
-2024-12-03 07:53:00,722 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 07:53:00,722 - INFO - decompressing file fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz...
-2024-12-03 07:53:00,764 - INFO - this script has been running for 0.06 hours.
-2024-12-03 07:53:00,764 - INFO - ===============================================
-2024-12-03 07:53:00,764 - INFO - calculating Hamiltonian features...
-2024-12-03 07:53:00,764 - INFO - reading data from fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b
-2024-12-03 07:53:01,018 - INFO - finished reading FCIDUMP data.
-2024-12-03 07:53:01,018 - INFO - data['NORB']: 31
-2024-12-03 07:53:01,018 - INFO - len(data['H1']): 31
-2024-12-03 07:53:01,018 - INFO - ao2mo.restore...
-2024-12-03 07:53:01,020 - INFO - done.
-2024-12-03 07:53:01,020 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 07:53:01,020 - INFO - done.
-2024-12-03 07:53:01,020 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 07:56:44,277 - INFO - done.
-2024-12-03 07:56:44,277 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 07:57:01,903 - INFO - done.
-2024-12-03 07:57:01,904 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 07:57:03,323 - INFO - done.
-2024-12-03 07:57:03,324 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 07:57:03,422 - INFO - done.
-2024-12-03 07:57:03,422 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 07:57:03,422 - INFO - done.
-2024-12-03 07:57:03,422 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 07:57:03,422 - INFO - done.
-2024-12-03 07:57:03,583 - INFO - Hamiltonian features calculation run time (seconds): 242.818756
-2024-12-03 07:57:03,583 - INFO - wrote df_eigs to file: df_eigs.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.bin
-2024-12-03 07:57:03,583 - INFO - deleting file fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-03 07:57:03,585 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 07:57:03,593 - INFO - this script has been running for 0.13 hours.
-2024-12-03 07:57:03,593 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 07:57:03,593 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:57:03,593 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:57:03,593 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:57:03,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:57:03,596 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:57:03,596 - INFO - number of supporting files: 1
-2024-12-03 07:57:03,596 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 07:57:03,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 07:57:03,596 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 07:57:03,602 - INFO - number of entries in Hamiltonian_features.csv:  55
-2024-12-03 07:57:03,602 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 07:57:03,602 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 07:57:03,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 07:57:03,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 07:57:03,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 07:57:03,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 07:57:03,605 - INFO - attempting to process the Hamiltonian...
-2024-12-03 07:57:03,606 - INFO - number of supporting files: 1
-2024-12-03 07:57:03,606 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-03 07:57:03,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-03 07:57:03,606 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-03 07:57:03,611 - INFO - number of entries in Hamiltonian_features.csv:  55
-2024-12-03 07:57:03,612 - INFO - did NOT find instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 in database.
-2024-12-03 07:57:03,612 - INFO - Processing instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 ...
-2024-12-03 07:57:03,612 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz...
-2024-12-03 07:57:03,658 - INFO - Connected (version 2.0, client 0)
-2024-12-03 07:57:04,209 - INFO - Authentication (publickey) successful!
-2024-12-03 07:57:04,231 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 07:57:04,497 - INFO - [chan 0] sftp session closed.
-2024-12-03 07:57:04,497 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 07:57:04,497 - INFO - decompressing file fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz...
-2024-12-03 07:57:04,542 - INFO - this script has been running for 0.13 hours.
-2024-12-03 07:57:04,542 - INFO - ===============================================
-2024-12-03 07:57:04,542 - INFO - calculating Hamiltonian features...
-2024-12-03 07:57:04,542 - INFO - reading data from fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8
-2024-12-03 07:57:04,844 - INFO - finished reading FCIDUMP data.
-2024-12-03 07:57:04,844 - INFO - data['NORB']: 31
-2024-12-03 07:57:04,844 - INFO - len(data['H1']): 31
-2024-12-03 07:57:04,844 - INFO - ao2mo.restore...
-2024-12-03 07:57:04,846 - INFO - done.
-2024-12-03 07:57:04,846 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 07:57:04,846 - INFO - done.
-2024-12-03 07:57:04,846 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:00:51,785 - INFO - done.
-2024-12-03 08:00:51,785 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:01:10,945 - INFO - done.
-2024-12-03 08:01:10,945 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:01:12,470 - INFO - done.
-2024-12-03 08:01:12,470 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:01:12,588 - INFO - done.
-2024-12-03 08:01:12,588 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:01:12,588 - INFO - done.
-2024-12-03 08:01:12,588 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:01:12,589 - INFO - done.
-2024-12-03 08:01:12,794 - INFO - Hamiltonian features calculation run time (seconds): 248.25109
-2024-12-03 08:01:12,794 - INFO - wrote df_eigs to file: df_eigs.bae2da57-6a69-483e-95bc-b77f72ebfba8.bin
-2024-12-03 08:01:12,794 - INFO - deleting file fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-03 08:01:12,795 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:01:12,803 - INFO - this script has been running for 0.20 hours.
-2024-12-03 08:01:12,803 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 08:01:12,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:01:12,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:01:12,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:01:12,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:01:12,806 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:01:12,806 - INFO - number of supporting files: 1
-2024-12-03 08:01:12,806 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 08:01:12,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 08:01:12,806 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 08:01:12,811 - INFO - number of entries in Hamiltonian_features.csv:  56
-2024-12-03 08:01:12,811 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 08:01:12,812 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 08:01:12,812 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:01:12,812 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:01:12,812 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:01:12,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:01:12,815 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:01:12,815 - INFO - number of supporting files: 1
-2024-12-03 08:01:12,815 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-03 08:01:12,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-03 08:01:12,815 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-03 08:01:12,820 - INFO - number of entries in Hamiltonian_features.csv:  56
-2024-12-03 08:01:12,820 - INFO - did NOT find instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 in database.
-2024-12-03 08:01:12,820 - INFO - Processing instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 ...
-2024-12-03 08:01:12,820 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz...
-2024-12-03 08:01:12,866 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:01:13,380 - INFO - Authentication (publickey) successful!
-2024-12-03 08:01:13,398 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:01:13,494 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:01:13,494 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:01:13,494 - INFO - decompressing file fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz...
-2024-12-03 08:01:13,529 - INFO - this script has been running for 0.20 hours.
-2024-12-03 08:01:13,529 - INFO - ===============================================
-2024-12-03 08:01:13,529 - INFO - calculating Hamiltonian features...
-2024-12-03 08:01:13,529 - INFO - reading data from fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5
-2024-12-03 08:01:13,794 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:01:13,794 - INFO - data['NORB']: 31
-2024-12-03 08:01:13,794 - INFO - len(data['H1']): 31
-2024-12-03 08:01:13,795 - INFO - ao2mo.restore...
-2024-12-03 08:01:13,796 - INFO - done.
-2024-12-03 08:01:13,796 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:01:13,796 - INFO - done.
-2024-12-03 08:01:13,796 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:05:03,067 - INFO - done.
-2024-12-03 08:05:03,067 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:05:21,384 - INFO - done.
-2024-12-03 08:05:21,384 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:05:22,725 - INFO - done.
-2024-12-03 08:05:22,726 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:05:22,824 - INFO - done.
-2024-12-03 08:05:22,824 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:05:22,825 - INFO - done.
-2024-12-03 08:05:22,825 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:05:22,825 - INFO - done.
-2024-12-03 08:05:23,011 - INFO - Hamiltonian features calculation run time (seconds): 249.481576
-2024-12-03 08:05:23,011 - INFO - wrote df_eigs to file: df_eigs.ea55abec-8253-445d-85fa-914948b5e5a5.bin
-2024-12-03 08:05:23,011 - INFO - deleting file fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-03 08:05:23,012 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:05:23,017 - INFO - this script has been running for 0.27 hours.
-2024-12-03 08:05:23,017 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 08:05:23,017 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 08:05:23,018 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 08:05:23,018 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:05:23,018 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 08:05:23,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:05:23,019 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:05:23,019 - INFO - number of supporting files: 2
-2024-12-03 08:05:23,019 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-03 08:05:23,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-03 08:05:23,019 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-03 08:05:23,023 - INFO - number of entries in Hamiltonian_features.csv:  57
-2024-12-03 08:05:23,023 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-03 08:05:23,023 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-03 08:05:23,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-03 08:05:23,023 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:05:23,024 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 08:05:23,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:05:23,025 - INFO - number of orbitals:  119
-2024-12-03 08:05:23,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:05:23,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:05:23,025 - INFO - moving on ...
-2024-12-03 08:05:23,025 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 08:05:23,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:05:23,027 - INFO - number of orbitals:  62
-2024-12-03 08:05:23,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:05:23,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:05:23,027 - INFO - moving on ...
-2024-12-03 08:05:23,027 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 08:05:23,027 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 08:05:23,027 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 08:05:23,027 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:05:23,027 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 08:05:23,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:05:23,029 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:05:23,029 - INFO - number of supporting files: 2
-2024-12-03 08:05:23,029 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-03 08:05:23,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-03 08:05:23,029 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-03 08:05:23,032 - INFO - number of entries in Hamiltonian_features.csv:  57
-2024-12-03 08:05:23,032 - INFO - did NOT find instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 in database.
-2024-12-03 08:05:23,032 - INFO - Processing instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 ...
-2024-12-03 08:05:23,033 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz...
-2024-12-03 08:05:23,075 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:05:23,647 - INFO - Authentication (publickey) successful!
-2024-12-03 08:05:23,674 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:05:23,802 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:05:23,803 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:05:23,803 - INFO - decompressing file fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz...
-2024-12-03 08:05:23,846 - INFO - this script has been running for 0.27 hours.
-2024-12-03 08:05:23,846 - INFO - ===============================================
-2024-12-03 08:05:23,846 - INFO - calculating Hamiltonian features...
-2024-12-03 08:05:23,846 - INFO - reading data from fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82
-2024-12-03 08:05:24,196 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:05:24,196 - INFO - data['NORB']: 33
-2024-12-03 08:05:24,196 - INFO - len(data['H1']): 33
-2024-12-03 08:05:24,196 - INFO - ao2mo.restore...
-2024-12-03 08:05:24,198 - INFO - done.
-2024-12-03 08:05:24,198 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:05:24,198 - INFO - done.
-2024-12-03 08:05:24,198 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:07:41,534 - INFO - done.
-2024-12-03 08:07:41,535 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:07:51,313 - INFO - done.
-2024-12-03 08:07:51,314 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:07:52,041 - INFO - done.
-2024-12-03 08:07:52,041 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:07:52,163 - INFO - done.
-2024-12-03 08:07:52,163 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:07:52,164 - INFO - done.
-2024-12-03 08:07:52,164 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:07:52,164 - INFO - done.
-2024-12-03 08:07:52,248 - INFO - Hamiltonian features calculation run time (seconds): 148.402172
-2024-12-03 08:07:52,249 - INFO - wrote df_eigs to file: df_eigs.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.bin
-2024-12-03 08:07:52,249 - INFO - deleting file fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-03 08:07:52,250 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:07:52,255 - INFO - this script has been running for 0.31 hours.
-2024-12-03 08:07:52,255 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-03 08:07:52,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-03 08:07:52,255 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:07:52,256 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 08:07:52,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,258 - INFO - number of orbitals:  74
-2024-12-03 08:07:52,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,258 - INFO - moving on ...
-2024-12-03 08:07:52,258 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 08:07:52,258 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 08:07:52,259 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 08:07:52,259 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:07:52,259 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 08:07:52,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,261 - INFO - number of orbitals:  70
-2024-12-03 08:07:52,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,261 - INFO - moving on ...
-2024-12-03 08:07:52,261 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 08:07:52,262 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 08:07:52,262 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 08:07:52,262 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:07:52,262 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 08:07:52,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,264 - INFO - number of orbitals:  48
-2024-12-03 08:07:52,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,264 - INFO - moving on ...
-2024-12-03 08:07:52,264 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 08:07:52,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,266 - INFO - number of orbitals:  116
-2024-12-03 08:07:52,266 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,266 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,266 - INFO - moving on ...
-2024-12-03 08:07:52,266 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 08:07:52,267 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 08:07:52,267 - INFO - problem_instance short name: Ti_0
-2024-12-03 08:07:52,267 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:07:52,267 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 08:07:52,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,269 - INFO - number of orbitals:  54
-2024-12-03 08:07:52,269 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,269 - INFO - moving on ...
-2024-12-03 08:07:52,269 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 08:07:52,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,271 - INFO - number of orbitals:  88
-2024-12-03 08:07:52,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,271 - INFO - moving on ...
-2024-12-03 08:07:52,272 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 08:07:52,272 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 08:07:52,272 - INFO - problem_instance short name: h_f_0
-2024-12-03 08:07:52,272 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:07:52,272 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 08:07:52,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,274 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:07:52,274 - INFO - number of supporting files: 2
-2024-12-03 08:07:52,274 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 08:07:52,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 08:07:52,275 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 08:07:52,278 - INFO - number of entries in Hamiltonian_features.csv:  58
-2024-12-03 08:07:52,279 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 08:07:52,279 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 08:07:52,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 08:07:52,279 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:07:52,279 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 08:07:52,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,281 - INFO - number of orbitals:  85
-2024-12-03 08:07:52,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,282 - INFO - moving on ...
-2024-12-03 08:07:52,282 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 08:07:52,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,283 - INFO - number of orbitals:  44
-2024-12-03 08:07:52,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,284 - INFO - moving on ...
-2024-12-03 08:07:52,284 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 08:07:52,284 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 08:07:52,284 - INFO - problem_instance short name: li_f_0
-2024-12-03 08:07:52,284 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:07:52,285 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 08:07:52,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,286 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:07:52,286 - INFO - number of supporting files: 2
-2024-12-03 08:07:52,286 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-03 08:07:52,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-03 08:07:52,287 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-03 08:07:52,290 - INFO - number of entries in Hamiltonian_features.csv:  58
-2024-12-03 08:07:52,290 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-03 08:07:52,290 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-03 08:07:52,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-03 08:07:52,291 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:07:52,291 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 08:07:52,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,292 - INFO - number of orbitals:  110
-2024-12-03 08:07:52,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,293 - INFO - moving on ...
-2024-12-03 08:07:52,293 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 08:07:52,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,294 - INFO - number of orbitals:  60
-2024-12-03 08:07:52,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,294 - INFO - moving on ...
-2024-12-03 08:07:52,295 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 08:07:52,295 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 08:07:52,295 - INFO - problem_instance short name: MnO_0
-2024-12-03 08:07:52,295 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:07:52,295 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 08:07:52,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,296 - INFO - number of orbitals:  76
-2024-12-03 08:07:52,297 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,297 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,297 - INFO - moving on ...
-2024-12-03 08:07:52,297 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 08:07:52,297 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 08:07:52,297 - INFO - problem_instance short name: Fe_0
-2024-12-03 08:07:52,297 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:07:52,297 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 08:07:52,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,299 - INFO - number of orbitals:  54
-2024-12-03 08:07:52,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,299 - INFO - moving on ...
-2024-12-03 08:07:52,299 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 08:07:52,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,301 - INFO - number of orbitals:  88
-2024-12-03 08:07:52,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:07:52,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:07:52,301 - INFO - moving on ...
-2024-12-03 08:07:52,301 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 08:07:52,302 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 08:07:52,302 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 08:07:52,302 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:07:52,302 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 08:07:52,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:07:52,303 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:07:52,304 - INFO - number of supporting files: 1
-2024-12-03 08:07:52,304 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-03 08:07:52,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-03 08:07:52,304 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-03 08:07:52,308 - INFO - number of entries in Hamiltonian_features.csv:  58
-2024-12-03 08:07:52,308 - INFO - did NOT find instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe in database.
-2024-12-03 08:07:52,308 - INFO - Processing instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe ...
-2024-12-03 08:07:52,308 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz...
-2024-12-03 08:07:52,354 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:07:52,857 - INFO - Authentication (publickey) successful!
-2024-12-03 08:07:52,870 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:07:52,941 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:07:52,941 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:07:52,942 - INFO - decompressing file fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz...
-2024-12-03 08:07:52,978 - INFO - this script has been running for 0.31 hours.
-2024-12-03 08:07:52,978 - INFO - ===============================================
-2024-12-03 08:07:52,979 - INFO - calculating Hamiltonian features...
-2024-12-03 08:07:52,979 - INFO - reading data from fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe
-2024-12-03 08:07:53,201 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:07:53,201 - INFO - data['NORB']: 31
-2024-12-03 08:07:53,202 - INFO - len(data['H1']): 31
-2024-12-03 08:07:53,202 - INFO - ao2mo.restore...
-2024-12-03 08:07:53,203 - INFO - done.
-2024-12-03 08:07:53,203 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:07:53,204 - INFO - done.
-2024-12-03 08:07:53,204 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:11:34,915 - INFO - done.
-2024-12-03 08:11:34,916 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:11:52,924 - INFO - done.
-2024-12-03 08:11:52,924 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:11:54,189 - INFO - done.
-2024-12-03 08:11:54,189 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:11:54,290 - INFO - done.
-2024-12-03 08:11:54,290 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:11:54,290 - INFO - done.
-2024-12-03 08:11:54,290 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:11:54,290 - INFO - done.
-2024-12-03 08:11:54,432 - INFO - Hamiltonian features calculation run time (seconds): 241.452869
-2024-12-03 08:11:54,432 - INFO - wrote df_eigs to file: df_eigs.efddd28a-383d-4929-9335-22e54ba2ffbe.bin
-2024-12-03 08:11:54,432 - INFO - deleting file fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-03 08:11:54,433 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:11:54,435 - INFO - this script has been running for 0.38 hours.
-2024-12-03 08:11:54,435 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 08:11:54,435 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 08:11:54,435 - INFO - problem_instance short name: VO_0
-2024-12-03 08:11:54,435 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:11:54,436 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 08:11:54,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,437 - INFO - number of orbitals:  76
-2024-12-03 08:11:54,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:11:54,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:11:54,437 - INFO - moving on ...
-2024-12-03 08:11:54,437 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 08:11:54,437 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 08:11:54,437 - INFO - problem_instance short name: n2_0
-2024-12-03 08:11:54,437 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:11:54,438 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 08:11:54,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,439 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:11:54,439 - INFO - number of supporting files: 2
-2024-12-03 08:11:54,439 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-03 08:11:54,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-03 08:11:54,439 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-03 08:11:54,443 - INFO - number of entries in Hamiltonian_features.csv:  59
-2024-12-03 08:11:54,443 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-03 08:11:54,443 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-03 08:11:54,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-03 08:11:54,443 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:11:54,443 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 08:11:54,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,444 - INFO - number of orbitals:  110
-2024-12-03 08:11:54,444 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:11:54,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:11:54,444 - INFO - moving on ...
-2024-12-03 08:11:54,444 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 08:11:54,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,446 - INFO - number of orbitals:  60
-2024-12-03 08:11:54,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:11:54,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:11:54,446 - INFO - moving on ...
-2024-12-03 08:11:54,446 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 08:11:54,446 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 08:11:54,446 - INFO - problem_instance short name: Cr_0
-2024-12-03 08:11:54,446 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:11:54,446 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 08:11:54,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,447 - INFO - number of orbitals:  54
-2024-12-03 08:11:54,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:11:54,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:11:54,447 - INFO - moving on ...
-2024-12-03 08:11:54,447 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 08:11:54,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,449 - INFO - number of orbitals:  88
-2024-12-03 08:11:54,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:11:54,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:11:54,449 - INFO - moving on ...
-2024-12-03 08:11:54,449 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 08:11:54,449 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 08:11:54,449 - INFO - problem_instance short name: ScO_0
-2024-12-03 08:11:54,449 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:11:54,449 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 08:11:54,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,450 - INFO - number of orbitals:  76
-2024-12-03 08:11:54,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:11:54,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:11:54,450 - INFO - moving on ...
-2024-12-03 08:11:54,450 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 08:11:54,451 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 08:11:54,451 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 08:11:54,451 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:11:54,451 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 08:11:54,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,452 - INFO - number of orbitals:  52
-2024-12-03 08:11:54,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:11:54,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:11:54,452 - INFO - moving on ...
-2024-12-03 08:11:54,452 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 08:11:54,452 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 08:11:54,452 - INFO - problem_instance short name: blue_dimer
-2024-12-03 08:11:54,453 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 08:11:54,453 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 08:11:54,453 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:11:54,453 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:11:54,453 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:11:54,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,455 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:11:54,455 - INFO - number of supporting files: 1
-2024-12-03 08:11:54,455 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 08:11:54,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 08:11:54,455 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 08:11:54,458 - INFO - number of entries in Hamiltonian_features.csv:  59
-2024-12-03 08:11:54,458 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 08:11:54,459 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 08:11:54,459 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:11:54,459 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:11:54,459 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:11:54,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,460 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:11:54,460 - INFO - number of supporting files: 1
-2024-12-03 08:11:54,460 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 08:11:54,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 08:11:54,460 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 08:11:54,464 - INFO - number of entries in Hamiltonian_features.csv:  59
-2024-12-03 08:11:54,464 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 08:11:54,464 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 08:11:54,464 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:11:54,464 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:11:54,464 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:11:54,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:11:54,466 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:11:54,466 - INFO - number of supporting files: 1
-2024-12-03 08:11:54,466 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-03 08:11:54,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-03 08:11:54,466 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-03 08:11:54,470 - INFO - number of entries in Hamiltonian_features.csv:  59
-2024-12-03 08:11:54,470 - INFO - did NOT find instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b in database.
-2024-12-03 08:11:54,470 - INFO - Processing instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b ...
-2024-12-03 08:11:54,470 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz...
-2024-12-03 08:11:54,516 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:11:55,043 - INFO - Authentication (publickey) successful!
-2024-12-03 08:11:55,065 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:11:55,205 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:11:55,205 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:11:55,206 - INFO - decompressing file fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz...
-2024-12-03 08:11:55,262 - INFO - this script has been running for 0.38 hours.
-2024-12-03 08:11:55,262 - INFO - ===============================================
-2024-12-03 08:11:55,262 - INFO - calculating Hamiltonian features...
-2024-12-03 08:11:55,262 - INFO - reading data from fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b
-2024-12-03 08:11:55,627 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:11:55,627 - INFO - data['NORB']: 34
-2024-12-03 08:11:55,627 - INFO - len(data['H1']): 34
-2024-12-03 08:11:55,627 - INFO - ao2mo.restore...
-2024-12-03 08:11:55,629 - INFO - done.
-2024-12-03 08:11:55,629 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:11:55,629 - INFO - done.
-2024-12-03 08:11:55,630 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:17:16,716 - INFO - done.
-2024-12-03 08:17:16,716 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:17:43,875 - INFO - done.
-2024-12-03 08:17:43,875 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:17:46,021 - INFO - done.
-2024-12-03 08:17:46,021 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:17:46,157 - INFO - done.
-2024-12-03 08:17:46,157 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:17:46,157 - INFO - done.
-2024-12-03 08:17:46,157 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:17:46,157 - INFO - done.
-2024-12-03 08:17:46,397 - INFO - Hamiltonian features calculation run time (seconds): 351.134477
-2024-12-03 08:17:46,397 - INFO - wrote df_eigs to file: df_eigs.7db0f859-073f-46af-9325-016a67229a4b.bin
-2024-12-03 08:17:46,397 - INFO - deleting file fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-03 08:17:46,399 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:17:46,407 - INFO - this script has been running for 0.47 hours.
-2024-12-03 08:17:46,408 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 08:17:46,408 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:17:46,408 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:17:46,408 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:17:46,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:17:46,411 - INFO - number of orbitals:  36
-2024-12-03 08:17:46,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:17:46,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:17:46,411 - INFO - moving on ...
-2024-12-03 08:17:46,411 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 08:17:46,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:17:46,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:17:46,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:17:46,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:17:46,414 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:17:46,414 - INFO - number of supporting files: 1
-2024-12-03 08:17:46,414 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 08:17:46,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 08:17:46,414 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 08:17:46,418 - INFO - number of entries in Hamiltonian_features.csv:  60
-2024-12-03 08:17:46,418 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 08:17:46,419 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 08:17:46,419 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:17:46,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:17:46,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:17:46,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:17:46,421 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:17:46,421 - INFO - number of supporting files: 1
-2024-12-03 08:17:46,421 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 08:17:46,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 08:17:46,422 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 08:17:46,426 - INFO - number of entries in Hamiltonian_features.csv:  60
-2024-12-03 08:17:46,426 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 08:17:46,426 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 08:17:46,427 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:17:46,427 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:17:46,427 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:17:46,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:17:46,429 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:17:46,429 - INFO - number of supporting files: 1
-2024-12-03 08:17:46,429 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-03 08:17:46,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-03 08:17:46,429 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-03 08:17:46,434 - INFO - number of entries in Hamiltonian_features.csv:  60
-2024-12-03 08:17:46,435 - INFO - did NOT find instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac in database.
-2024-12-03 08:17:46,435 - INFO - Processing instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac ...
-2024-12-03 08:17:46,435 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz...
-2024-12-03 08:17:46,481 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:17:47,153 - INFO - Authentication (publickey) successful!
-2024-12-03 08:17:47,177 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:17:47,307 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:17:47,307 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:17:47,308 - INFO - decompressing file fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz...
-2024-12-03 08:17:47,355 - INFO - this script has been running for 0.47 hours.
-2024-12-03 08:17:47,355 - INFO - ===============================================
-2024-12-03 08:17:47,355 - INFO - calculating Hamiltonian features...
-2024-12-03 08:17:47,355 - INFO - reading data from fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac
-2024-12-03 08:17:47,717 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:17:47,717 - INFO - data['NORB']: 34
-2024-12-03 08:17:47,717 - INFO - len(data['H1']): 34
-2024-12-03 08:17:47,717 - INFO - ao2mo.restore...
-2024-12-03 08:17:47,722 - INFO - done.
-2024-12-03 08:17:47,722 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:17:47,722 - INFO - done.
-2024-12-03 08:17:47,722 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:23:06,854 - INFO - done.
-2024-12-03 08:23:06,854 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:23:33,068 - INFO - done.
-2024-12-03 08:23:33,068 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:23:35,121 - INFO - done.
-2024-12-03 08:23:35,121 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:23:35,257 - INFO - done.
-2024-12-03 08:23:35,257 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:23:35,257 - INFO - done.
-2024-12-03 08:23:35,257 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:23:35,257 - INFO - done.
-2024-12-03 08:23:35,445 - INFO - Hamiltonian features calculation run time (seconds): 348.089972
-2024-12-03 08:23:35,446 - INFO - wrote df_eigs to file: df_eigs.727ab190-e399-4bb6-a9b3-20ae57789bac.bin
-2024-12-03 08:23:35,446 - INFO - deleting file fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-03 08:23:35,447 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:23:35,451 - INFO - this script has been running for 0.57 hours.
-2024-12-03 08:23:35,451 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 08:23:35,452 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:23:35,452 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:23:35,452 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:23:35,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:23:35,454 - INFO - number of orbitals:  36
-2024-12-03 08:23:35,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:23:35,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:23:35,454 - INFO - moving on ...
-2024-12-03 08:23:35,454 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 08:23:35,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:23:35,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:23:35,454 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:23:35,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:23:35,456 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:23:35,456 - INFO - number of supporting files: 1
-2024-12-03 08:23:35,456 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 08:23:35,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 08:23:35,456 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 08:23:35,459 - INFO - number of entries in Hamiltonian_features.csv:  61
-2024-12-03 08:23:35,460 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 08:23:35,460 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 08:23:35,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:23:35,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:23:35,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:23:35,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:23:35,462 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:23:35,462 - INFO - number of supporting files: 1
-2024-12-03 08:23:35,462 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-03 08:23:35,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-03 08:23:35,462 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-03 08:23:35,465 - INFO - number of entries in Hamiltonian_features.csv:  61
-2024-12-03 08:23:35,466 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-03 08:23:35,466 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 08:23:35,466 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:23:35,466 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:23:35,466 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:23:35,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:23:35,468 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:23:35,468 - INFO - number of supporting files: 1
-2024-12-03 08:23:35,468 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-03 08:23:35,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-03 08:23:35,468 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-03 08:23:35,471 - INFO - number of entries in Hamiltonian_features.csv:  61
-2024-12-03 08:23:35,471 - INFO - did NOT find instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b in database.
-2024-12-03 08:23:35,471 - INFO - Processing instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b ...
-2024-12-03 08:23:35,471 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz...
-2024-12-03 08:23:35,517 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:23:36,244 - INFO - Authentication (publickey) successful!
-2024-12-03 08:23:36,264 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:23:36,395 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:23:36,395 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:23:36,395 - INFO - decompressing file fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz...
-2024-12-03 08:23:36,461 - INFO - this script has been running for 0.57 hours.
-2024-12-03 08:23:36,461 - INFO - ===============================================
-2024-12-03 08:23:36,461 - INFO - calculating Hamiltonian features...
-2024-12-03 08:23:36,462 - INFO - reading data from fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b
-2024-12-03 08:23:36,834 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:23:36,834 - INFO - data['NORB']: 34
-2024-12-03 08:23:36,834 - INFO - len(data['H1']): 34
-2024-12-03 08:23:36,834 - INFO - ao2mo.restore...
-2024-12-03 08:23:36,839 - INFO - done.
-2024-12-03 08:23:36,839 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:23:36,839 - INFO - done.
-2024-12-03 08:23:36,839 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:28:52,490 - INFO - done.
-2024-12-03 08:28:52,490 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:29:19,221 - INFO - done.
-2024-12-03 08:29:19,221 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:29:21,458 - INFO - done.
-2024-12-03 08:29:21,458 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:29:21,600 - INFO - done.
-2024-12-03 08:29:21,601 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:29:21,601 - INFO - done.
-2024-12-03 08:29:21,601 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:29:21,601 - INFO - done.
-2024-12-03 08:29:21,846 - INFO - Hamiltonian features calculation run time (seconds): 345.384669
-2024-12-03 08:29:21,847 - INFO - wrote df_eigs to file: df_eigs.dc406285-bac1-4b99-afbf-06728b7d699b.bin
-2024-12-03 08:29:21,847 - INFO - deleting file fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-03 08:29:21,848 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:29:21,855 - INFO - this script has been running for 0.67 hours.
-2024-12-03 08:29:21,855 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 08:29:21,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:29:21,856 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:29:21,856 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:29:21,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,858 - INFO - number of orbitals:  36
-2024-12-03 08:29:21,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,858 - INFO - moving on ...
-2024-12-03 08:29:21,858 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 08:29:21,858 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 08:29:21,858 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 08:29:21,858 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,859 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 08:29:21,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,860 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:29:21,860 - INFO - number of supporting files: 1
-2024-12-03 08:29:21,860 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 08:29:21,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 08:29:21,860 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 08:29:21,863 - INFO - number of entries in Hamiltonian_features.csv:  62
-2024-12-03 08:29:21,864 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 08:29:21,864 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 08:29:21,864 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 08:29:21,864 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 08:29:21,864 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,864 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 08:29:21,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,865 - INFO - number of orbitals:  47
-2024-12-03 08:29:21,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,865 - INFO - moving on ...
-2024-12-03 08:29:21,865 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 08:29:21,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,867 - INFO - number of orbitals:  106
-2024-12-03 08:29:21,867 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,867 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,867 - INFO - moving on ...
-2024-12-03 08:29:21,867 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 08:29:21,867 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 08:29:21,867 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 08:29:21,867 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,867 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 08:29:21,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,868 - INFO - number of orbitals:  38
-2024-12-03 08:29:21,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,868 - INFO - moving on ...
-2024-12-03 08:29:21,868 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 08:29:21,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,869 - INFO - number of orbitals:  88
-2024-12-03 08:29:21,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,869 - INFO - moving on ...
-2024-12-03 08:29:21,869 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 08:29:21,869 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 08:29:21,869 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 08:29:21,870 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,870 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 08:29:21,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,871 - INFO - number of orbitals:  58
-2024-12-03 08:29:21,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,871 - INFO - moving on ...
-2024-12-03 08:29:21,871 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 08:29:21,871 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 08:29:21,871 - INFO - problem_instance short name: mo2_n2
-2024-12-03 08:29:21,871 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,871 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 08:29:21,871 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:29:21,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:29:21,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:29:21,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,873 - INFO - number of orbitals:  69
-2024-12-03 08:29:21,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,873 - INFO - moving on ...
-2024-12-03 08:29:21,873 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 08:29:21,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:29:21,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:29:21,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:29:21,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,875 - INFO - number of orbitals:  70
-2024-12-03 08:29:21,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,875 - INFO - moving on ...
-2024-12-03 08:29:21,875 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 08:29:21,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:29:21,875 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:29:21,875 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:29:21,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,876 - INFO - number of orbitals:  69
-2024-12-03 08:29:21,876 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,876 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,876 - INFO - moving on ...
-2024-12-03 08:29:21,876 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 08:29:21,876 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 08:29:21,876 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 08:29:21,876 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,877 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 08:29:21,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,878 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:29:21,878 - INFO - number of supporting files: 1
-2024-12-03 08:29:21,878 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 08:29:21,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 08:29:21,878 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 08:29:21,881 - INFO - number of entries in Hamiltonian_features.csv:  62
-2024-12-03 08:29:21,881 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 08:29:21,881 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 08:29:21,881 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 08:29:21,881 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 08:29:21,881 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,881 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 08:29:21,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,883 - INFO - number of orbitals:  66
-2024-12-03 08:29:21,883 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,883 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,883 - INFO - moving on ...
-2024-12-03 08:29:21,883 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 08:29:21,883 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 08:29:21,883 - INFO - problem_instance short name: c_o2_0
-2024-12-03 08:29:21,883 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,883 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 08:29:21,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,884 - INFO - number of orbitals:  42
-2024-12-03 08:29:21,884 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,884 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,884 - INFO - moving on ...
-2024-12-03 08:29:21,884 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 08:29:21,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,885 - INFO - number of orbitals:  90
-2024-12-03 08:29:21,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,885 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,885 - INFO - moving on ...
-2024-12-03 08:29:21,885 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 08:29:21,886 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 08:29:21,886 - INFO - problem_instance short name: Ti_1
-2024-12-03 08:29:21,886 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,886 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 08:29:21,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,887 - INFO - number of orbitals:  54
-2024-12-03 08:29:21,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,887 - INFO - moving on ...
-2024-12-03 08:29:21,887 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 08:29:21,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,888 - INFO - number of orbitals:  88
-2024-12-03 08:29:21,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,888 - INFO - moving on ...
-2024-12-03 08:29:21,888 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 08:29:21,888 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 08:29:21,888 - INFO - problem_instance short name: li2_0
-2024-12-03 08:29:21,888 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,889 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 08:29:21,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,890 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:29:21,890 - INFO - number of supporting files: 2
-2024-12-03 08:29:21,890 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-03 08:29:21,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-03 08:29:21,890 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-03 08:29:21,893 - INFO - number of entries in Hamiltonian_features.csv:  62
-2024-12-03 08:29:21,893 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-03 08:29:21,893 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-03 08:29:21,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-03 08:29:21,893 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:29:21,893 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 08:29:21,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,894 - INFO - number of orbitals:  110
-2024-12-03 08:29:21,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,894 - INFO - moving on ...
-2024-12-03 08:29:21,895 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 08:29:21,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,896 - INFO - number of orbitals:  60
-2024-12-03 08:29:21,896 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,896 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,896 - INFO - moving on ...
-2024-12-03 08:29:21,896 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 08:29:21,896 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 08:29:21,896 - INFO - problem_instance short name: O_0
-2024-12-03 08:29:21,896 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,896 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 08:29:21,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,897 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:29:21,897 - INFO - number of supporting files: 2
-2024-12-03 08:29:21,897 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-03 08:29:21,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-03 08:29:21,897 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-03 08:29:21,901 - INFO - number of entries in Hamiltonian_features.csv:  62
-2024-12-03 08:29:21,901 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-03 08:29:21,901 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-03 08:29:21,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-03 08:29:21,901 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:29:21,901 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 08:29:21,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,902 - INFO - number of orbitals:  79
-2024-12-03 08:29:21,902 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,902 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,902 - INFO - moving on ...
-2024-12-03 08:29:21,902 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 08:29:21,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,903 - INFO - number of orbitals:  45
-2024-12-03 08:29:21,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,904 - INFO - moving on ...
-2024-12-03 08:29:21,904 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 08:29:21,904 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 08:29:21,904 - INFO - problem_instance short name: TiO_0
-2024-12-03 08:29:21,904 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,904 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 08:29:21,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,905 - INFO - number of orbitals:  76
-2024-12-03 08:29:21,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,905 - INFO - moving on ...
-2024-12-03 08:29:21,905 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 08:29:21,905 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 08:29:21,905 - INFO - problem_instance short name: O_1
-2024-12-03 08:29:21,905 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,905 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 08:29:21,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,906 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:29:21,906 - INFO - number of supporting files: 2
-2024-12-03 08:29:21,906 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 08:29:21,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 08:29:21,906 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 08:29:21,909 - INFO - number of entries in Hamiltonian_features.csv:  62
-2024-12-03 08:29:21,910 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 08:29:21,910 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 08:29:21,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 08:29:21,910 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:29:21,910 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 08:29:21,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,911 - INFO - number of orbitals:  79
-2024-12-03 08:29:21,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,911 - INFO - moving on ...
-2024-12-03 08:29:21,911 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 08:29:21,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,912 - INFO - number of orbitals:  45
-2024-12-03 08:29:21,912 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,912 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,912 - INFO - moving on ...
-2024-12-03 08:29:21,912 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 08:29:21,912 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 08:29:21,912 - INFO - problem_instance short name: Sc_0
-2024-12-03 08:29:21,912 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,912 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 08:29:21,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,914 - INFO - number of orbitals:  54
-2024-12-03 08:29:21,914 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,914 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,914 - INFO - moving on ...
-2024-12-03 08:29:21,914 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 08:29:21,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,915 - INFO - number of orbitals:  135
-2024-12-03 08:29:21,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,915 - INFO - moving on ...
-2024-12-03 08:29:21,915 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 08:29:21,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,916 - INFO - number of orbitals:  88
-2024-12-03 08:29:21,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:29:21,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:29:21,916 - INFO - moving on ...
-2024-12-03 08:29:21,916 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 08:29:21,916 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 08:29:21,916 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 08:29:21,916 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:29:21,916 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 08:29:21,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:29:21,917 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:29:21,917 - INFO - number of supporting files: 1
-2024-12-03 08:29:21,918 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-03 08:29:21,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-03 08:29:21,918 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-03 08:29:21,921 - INFO - number of entries in Hamiltonian_features.csv:  62
-2024-12-03 08:29:21,921 - INFO - did NOT find instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 in database.
-2024-12-03 08:29:21,921 - INFO - Processing instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 ...
-2024-12-03 08:29:21,922 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz...
-2024-12-03 08:29:21,966 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:29:22,502 - INFO - Authentication (publickey) successful!
-2024-12-03 08:29:22,666 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:29:22,769 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:29:22,770 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:29:22,770 - INFO - decompressing file fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz...
-2024-12-03 08:29:22,801 - INFO - this script has been running for 0.67 hours.
-2024-12-03 08:29:22,801 - INFO - ===============================================
-2024-12-03 08:29:22,801 - INFO - calculating Hamiltonian features...
-2024-12-03 08:29:22,801 - INFO - reading data from fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8
-2024-12-03 08:29:23,026 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:29:23,026 - INFO - data['NORB']: 31
-2024-12-03 08:29:23,026 - INFO - len(data['H1']): 31
-2024-12-03 08:29:23,026 - INFO - ao2mo.restore...
-2024-12-03 08:29:23,027 - INFO - done.
-2024-12-03 08:29:23,028 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:29:23,028 - INFO - done.
-2024-12-03 08:29:23,028 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:33:05,669 - INFO - done.
-2024-12-03 08:33:05,670 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:33:23,621 - INFO - done.
-2024-12-03 08:33:23,621 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:33:25,020 - INFO - done.
-2024-12-03 08:33:25,020 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:33:25,112 - INFO - done.
-2024-12-03 08:33:25,113 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:33:25,113 - INFO - done.
-2024-12-03 08:33:25,113 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:33:25,113 - INFO - done.
-2024-12-03 08:33:25,253 - INFO - Hamiltonian features calculation run time (seconds): 242.451277
-2024-12-03 08:33:25,253 - INFO - wrote df_eigs to file: df_eigs.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.bin
-2024-12-03 08:33:25,254 - INFO - deleting file fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-03 08:33:25,255 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:33:25,258 - INFO - this script has been running for 0.73 hours.
-2024-12-03 08:33:25,258 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 08:33:25,258 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 08:33:25,258 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 08:33:25,258 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:33:25,258 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 08:33:25,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,260 - INFO - number of orbitals:  48
-2024-12-03 08:33:25,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,261 - INFO - moving on ...
-2024-12-03 08:33:25,261 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 08:33:25,261 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 08:33:25,262 - INFO - problem_instance short name: ozone
-2024-12-03 08:33:25,262 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 08:33:25,262 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 08:33:25,262 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,262 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,262 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,265 - INFO - number of orbitals:  42
-2024-12-03 08:33:25,265 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,265 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,265 - INFO - moving on ...
-2024-12-03 08:33:25,265 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 08:33:25,265 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,266 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,266 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,268 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:33:25,268 - INFO - number of supporting files: 1
-2024-12-03 08:33:25,268 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 08:33:25,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 08:33:25,269 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 08:33:25,276 - INFO - number of entries in Hamiltonian_features.csv:  63
-2024-12-03 08:33:25,276 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 08:33:25,276 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 08:33:25,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,277 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,277 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,279 - INFO - number of orbitals:  90
-2024-12-03 08:33:25,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,280 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,280 - INFO - moving on ...
-2024-12-03 08:33:25,280 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 08:33:25,280 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,280 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,280 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,283 - INFO - number of orbitals:  42
-2024-12-03 08:33:25,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,284 - INFO - moving on ...
-2024-12-03 08:33:25,284 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 08:33:25,284 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,284 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,284 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,286 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:33:25,286 - INFO - number of supporting files: 1
-2024-12-03 08:33:25,287 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 08:33:25,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 08:33:25,287 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 08:33:25,291 - INFO - number of entries in Hamiltonian_features.csv:  63
-2024-12-03 08:33:25,291 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 08:33:25,292 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 08:33:25,292 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,292 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,292 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,294 - INFO - number of orbitals:  90
-2024-12-03 08:33:25,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,295 - INFO - moving on ...
-2024-12-03 08:33:25,295 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 08:33:25,295 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 08:33:25,295 - INFO - problem_instance short name: CuO_0
-2024-12-03 08:33:25,296 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:33:25,296 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 08:33:25,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,297 - INFO - number of orbitals:  76
-2024-12-03 08:33:25,298 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,298 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,298 - INFO - moving on ...
-2024-12-03 08:33:25,298 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 08:33:25,298 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 08:33:25,298 - INFO - problem_instance short name: benzene
-2024-12-03 08:33:25,299 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:33:25,299 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 08:33:25,299 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,299 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,299 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,303 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:33:25,303 - INFO - number of supporting files: 1
-2024-12-03 08:33:25,303 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-03 08:33:25,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-03 08:33:25,303 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-03 08:33:25,307 - INFO - number of entries in Hamiltonian_features.csv:  63
-2024-12-03 08:33:25,308 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-03 08:33:25,308 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 08:33:25,308 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,308 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,308 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,310 - INFO - number of orbitals:  108
-2024-12-03 08:33:25,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,311 - INFO - moving on ...
-2024-12-03 08:33:25,311 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 08:33:25,311 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 08:33:25,311 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 08:33:25,311 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:33:25,311 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 08:33:25,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,313 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:33:25,313 - INFO - number of supporting files: 1
-2024-12-03 08:33:25,314 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 08:33:25,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 08:33:25,314 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 08:33:25,318 - INFO - number of entries in Hamiltonian_features.csv:  63
-2024-12-03 08:33:25,318 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 08:33:25,318 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 08:33:25,318 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 08:33:25,319 - INFO - problem_instance short name: n_h3_0
-2024-12-03 08:33:25,319 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:33:25,319 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 08:33:25,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,320 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:33:25,321 - INFO - number of supporting files: 2
-2024-12-03 08:33:25,321 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-03 08:33:25,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-03 08:33:25,321 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-03 08:33:25,325 - INFO - number of entries in Hamiltonian_features.csv:  63
-2024-12-03 08:33:25,325 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-03 08:33:25,325 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-03 08:33:25,325 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-03 08:33:25,326 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:33:25,326 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 08:33:25,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,327 - INFO - number of orbitals:  72
-2024-12-03 08:33:25,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,328 - INFO - moving on ...
-2024-12-03 08:33:25,328 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 08:33:25,328 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 08:33:25,328 - INFO - problem_instance short name: li_h_0
-2024-12-03 08:33:25,328 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:33:25,328 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 08:33:25,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,330 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:33:25,330 - INFO - number of supporting files: 2
-2024-12-03 08:33:25,330 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 08:33:25,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 08:33:25,330 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 08:33:25,334 - INFO - number of entries in Hamiltonian_features.csv:  63
-2024-12-03 08:33:25,335 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 08:33:25,335 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 08:33:25,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 08:33:25,335 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:33:25,335 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 08:33:25,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,337 - INFO - number of orbitals:  85
-2024-12-03 08:33:25,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,337 - INFO - moving on ...
-2024-12-03 08:33:25,337 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 08:33:25,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,339 - INFO - number of orbitals:  44
-2024-12-03 08:33:25,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:33:25,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:33:25,339 - INFO - moving on ...
-2024-12-03 08:33:25,339 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 08:33:25,340 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 08:33:25,340 - INFO - problem_instance short name: ru_mono
-2024-12-03 08:33:25,340 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 08:33:25,340 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 08:33:25,340 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,340 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,340 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,342 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:33:25,342 - INFO - number of supporting files: 1
-2024-12-03 08:33:25,342 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 08:33:25,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 08:33:25,343 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 08:33:25,347 - INFO - number of entries in Hamiltonian_features.csv:  63
-2024-12-03 08:33:25,347 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 08:33:25,347 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 08:33:25,347 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:33:25,347 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:33:25,348 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:33:25,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:33:25,350 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:33:25,350 - INFO - number of supporting files: 1
-2024-12-03 08:33:25,350 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-03 08:33:25,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-03 08:33:25,350 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-03 08:33:25,363 - INFO - number of entries in Hamiltonian_features.csv:  63
-2024-12-03 08:33:25,364 - INFO - did NOT find instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd in database.
-2024-12-03 08:33:25,364 - INFO - Processing instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd ...
-2024-12-03 08:33:25,364 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz...
-2024-12-03 08:33:25,411 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:33:25,931 - INFO - Authentication (publickey) successful!
-2024-12-03 08:33:26,111 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:33:26,223 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:33:26,224 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:33:26,224 - INFO - decompressing file fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz...
-2024-12-03 08:33:26,273 - INFO - this script has been running for 0.73 hours.
-2024-12-03 08:33:26,273 - INFO - ===============================================
-2024-12-03 08:33:26,273 - INFO - calculating Hamiltonian features...
-2024-12-03 08:33:26,273 - INFO - reading data from fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd
-2024-12-03 08:33:26,674 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:33:26,674 - INFO - data['NORB']: 34
-2024-12-03 08:33:26,674 - INFO - len(data['H1']): 34
-2024-12-03 08:33:26,674 - INFO - ao2mo.restore...
-2024-12-03 08:33:26,676 - INFO - done.
-2024-12-03 08:33:26,676 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:33:26,676 - INFO - done.
-2024-12-03 08:33:26,676 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:38:43,323 - INFO - done.
-2024-12-03 08:38:43,323 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:39:09,234 - INFO - done.
-2024-12-03 08:39:09,234 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:39:11,423 - INFO - done.
-2024-12-03 08:39:11,423 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:39:11,620 - INFO - done.
-2024-12-03 08:39:11,620 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:39:11,620 - INFO - done.
-2024-12-03 08:39:11,621 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:39:11,621 - INFO - done.
-2024-12-03 08:39:11,819 - INFO - Hamiltonian features calculation run time (seconds): 345.546412
-2024-12-03 08:39:11,820 - INFO - wrote df_eigs to file: df_eigs.4811297e-a8df-4150-9d4d-376fd0c6e9cd.bin
-2024-12-03 08:39:11,820 - INFO - deleting file fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-03 08:39:11,821 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:39:11,827 - INFO - this script has been running for 0.83 hours.
-2024-12-03 08:39:11,828 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 08:39:11,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:39:11,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:39:11,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:39:11,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:39:11,830 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:39:11,830 - INFO - number of supporting files: 1
-2024-12-03 08:39:11,831 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 08:39:11,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 08:39:11,831 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 08:39:11,835 - INFO - number of entries in Hamiltonian_features.csv:  64
-2024-12-03 08:39:11,836 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 08:39:11,836 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 08:39:11,836 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:39:11,836 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:39:11,837 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:39:11,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:39:11,839 - INFO - number of orbitals:  36
-2024-12-03 08:39:11,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:39:11,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:39:11,839 - INFO - moving on ...
-2024-12-03 08:39:11,839 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 08:39:11,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:39:11,840 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:39:11,840 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:39:11,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:39:11,842 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:39:11,842 - INFO - number of supporting files: 1
-2024-12-03 08:39:11,842 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 08:39:11,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 08:39:11,842 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 08:39:11,846 - INFO - number of entries in Hamiltonian_features.csv:  64
-2024-12-03 08:39:11,846 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 08:39:11,847 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 08:39:11,847 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:39:11,847 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:39:11,847 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:39:11,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:39:11,849 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:39:11,849 - INFO - number of supporting files: 1
-2024-12-03 08:39:11,849 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-03 08:39:11,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-03 08:39:11,850 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-03 08:39:11,853 - INFO - number of entries in Hamiltonian_features.csv:  64
-2024-12-03 08:39:11,854 - INFO - did NOT find instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b in database.
-2024-12-03 08:39:11,854 - INFO - Processing instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b ...
-2024-12-03 08:39:11,854 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz...
-2024-12-03 08:39:11,898 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:39:12,462 - INFO - Authentication (publickey) successful!
-2024-12-03 08:39:12,489 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:39:12,620 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:39:12,620 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:39:12,620 - INFO - decompressing file fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz...
-2024-12-03 08:39:12,685 - INFO - this script has been running for 0.83 hours.
-2024-12-03 08:39:12,685 - INFO - ===============================================
-2024-12-03 08:39:12,685 - INFO - calculating Hamiltonian features...
-2024-12-03 08:39:12,685 - INFO - reading data from fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b
-2024-12-03 08:39:13,069 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:39:13,069 - INFO - data['NORB']: 34
-2024-12-03 08:39:13,069 - INFO - len(data['H1']): 34
-2024-12-03 08:39:13,069 - INFO - ao2mo.restore...
-2024-12-03 08:39:13,071 - INFO - done.
-2024-12-03 08:39:13,071 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:39:13,071 - INFO - done.
-2024-12-03 08:39:13,071 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:44:25,819 - INFO - done.
-2024-12-03 08:44:25,819 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:44:49,431 - INFO - done.
-2024-12-03 08:44:49,432 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:44:51,328 - INFO - done.
-2024-12-03 08:44:51,329 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:44:51,472 - INFO - done.
-2024-12-03 08:44:51,473 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:44:51,473 - INFO - done.
-2024-12-03 08:44:51,473 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:44:51,473 - INFO - done.
-2024-12-03 08:44:51,664 - INFO - Hamiltonian features calculation run time (seconds): 338.979153
-2024-12-03 08:44:51,665 - INFO - wrote df_eigs to file: df_eigs.7be1766a-b3f7-4779-9a69-f4358645831b.bin
-2024-12-03 08:44:51,665 - INFO - deleting file fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-03 08:44:51,666 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:44:51,671 - INFO - this script has been running for 0.92 hours.
-2024-12-03 08:44:51,671 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 08:44:51,671 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 08:44:51,671 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 08:44:51,671 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:44:51,671 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 08:44:51,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:44:51,673 - INFO - number of orbitals:  48
-2024-12-03 08:44:51,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:44:51,673 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:44:51,673 - INFO - moving on ...
-2024-12-03 08:44:51,673 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 08:44:51,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:44:51,674 - INFO - number of orbitals:  116
-2024-12-03 08:44:51,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:44:51,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:44:51,674 - INFO - moving on ...
-2024-12-03 08:44:51,674 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 08:44:51,674 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 08:44:51,674 - INFO - problem_instance short name: Cu_0
-2024-12-03 08:44:51,675 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:44:51,675 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 08:44:51,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:44:51,676 - INFO - number of orbitals:  54
-2024-12-03 08:44:51,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:44:51,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:44:51,676 - INFO - moving on ...
-2024-12-03 08:44:51,676 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 08:44:51,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:44:51,677 - INFO - number of orbitals:  88
-2024-12-03 08:44:51,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:44:51,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:44:51,677 - INFO - moving on ...
-2024-12-03 08:44:51,677 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 08:44:51,677 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 08:44:51,677 - INFO - problem_instance short name: Cu_1
-2024-12-03 08:44:51,677 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:44:51,677 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 08:44:51,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:44:51,679 - INFO - number of orbitals:  54
-2024-12-03 08:44:51,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:44:51,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:44:51,679 - INFO - moving on ...
-2024-12-03 08:44:51,679 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 08:44:51,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:44:51,680 - INFO - number of orbitals:  88
-2024-12-03 08:44:51,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:44:51,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:44:51,680 - INFO - moving on ...
-2024-12-03 08:44:51,680 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 08:44:51,680 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 08:44:51,680 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 08:44:51,680 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:44:51,680 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 08:44:51,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:44:51,682 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:44:51,682 - INFO - number of supporting files: 1
-2024-12-03 08:44:51,682 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-03 08:44:51,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-03 08:44:51,682 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-03 08:44:51,686 - INFO - number of entries in Hamiltonian_features.csv:  65
-2024-12-03 08:44:51,686 - INFO - did NOT find instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 in database.
-2024-12-03 08:44:51,686 - INFO - Processing instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 ...
-2024-12-03 08:44:51,686 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz...
-2024-12-03 08:44:51,731 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:44:52,380 - INFO - Authentication (publickey) successful!
-2024-12-03 08:44:52,406 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:44:52,498 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:44:52,498 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:44:52,498 - INFO - decompressing file fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz...
-2024-12-03 08:44:52,529 - INFO - this script has been running for 0.92 hours.
-2024-12-03 08:44:52,529 - INFO - ===============================================
-2024-12-03 08:44:52,529 - INFO - calculating Hamiltonian features...
-2024-12-03 08:44:52,529 - INFO - reading data from fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350
-2024-12-03 08:44:52,748 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:44:52,748 - INFO - data['NORB']: 31
-2024-12-03 08:44:52,748 - INFO - len(data['H1']): 31
-2024-12-03 08:44:52,748 - INFO - ao2mo.restore...
-2024-12-03 08:44:52,750 - INFO - done.
-2024-12-03 08:44:52,750 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:44:52,750 - INFO - done.
-2024-12-03 08:44:52,750 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:48:38,783 - INFO - done.
-2024-12-03 08:48:38,783 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:48:56,818 - INFO - done.
-2024-12-03 08:48:56,819 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:48:58,194 - INFO - done.
-2024-12-03 08:48:58,195 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:48:58,298 - INFO - done.
-2024-12-03 08:48:58,298 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:48:58,299 - INFO - done.
-2024-12-03 08:48:58,299 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:48:58,299 - INFO - done.
-2024-12-03 08:48:58,444 - INFO - Hamiltonian features calculation run time (seconds): 245.914977
-2024-12-03 08:48:58,444 - INFO - wrote df_eigs to file: df_eigs.c594d63e-29c7-462a-b385-f70c6d7d8350.bin
-2024-12-03 08:48:58,445 - INFO - deleting file fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-03 08:48:58,445 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:48:58,448 - INFO - this script has been running for 0.99 hours.
-2024-12-03 08:48:58,448 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 08:48:58,449 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 08:48:58,449 - INFO - problem_instance short name: h2_s_0
-2024-12-03 08:48:58,449 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:48:58,449 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 08:48:58,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,450 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:48:58,451 - INFO - number of supporting files: 2
-2024-12-03 08:48:58,451 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-03 08:48:58,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-03 08:48:58,451 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-03 08:48:58,455 - INFO - number of entries in Hamiltonian_features.csv:  66
-2024-12-03 08:48:58,455 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-03 08:48:58,455 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-03 08:48:58,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-03 08:48:58,455 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:48:58,455 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 08:48:58,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,457 - INFO - number of orbitals:  119
-2024-12-03 08:48:58,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,457 - INFO - moving on ...
-2024-12-03 08:48:58,457 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 08:48:58,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,459 - INFO - number of orbitals:  62
-2024-12-03 08:48:58,459 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,459 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,459 - INFO - moving on ...
-2024-12-03 08:48:58,459 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 08:48:58,459 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 08:48:58,459 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 08:48:58,459 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:48:58,459 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 08:48:58,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,461 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:48:58,461 - INFO - number of supporting files: 2
-2024-12-03 08:48:58,461 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 08:48:58,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 08:48:58,461 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 08:48:58,465 - INFO - number of entries in Hamiltonian_features.csv:  66
-2024-12-03 08:48:58,465 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 08:48:58,465 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 08:48:58,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 08:48:58,465 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:48:58,465 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 08:48:58,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,467 - INFO - number of orbitals:  115
-2024-12-03 08:48:58,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,467 - INFO - moving on ...
-2024-12-03 08:48:58,467 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 08:48:58,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,468 - INFO - number of orbitals:  58
-2024-12-03 08:48:58,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,468 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,468 - INFO - moving on ...
-2024-12-03 08:48:58,468 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 08:48:58,468 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 08:48:58,468 - INFO - problem_instance short name: fe_red
-2024-12-03 08:48:58,468 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 08:48:58,469 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 08:48:58,469 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,469 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,469 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,471 - INFO - number of orbitals:  45
-2024-12-03 08:48:58,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,471 - INFO - moving on ...
-2024-12-03 08:48:58,471 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 08:48:58,471 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,471 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,471 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,473 - INFO - number of orbitals:  53
-2024-12-03 08:48:58,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,473 - INFO - moving on ...
-2024-12-03 08:48:58,473 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 08:48:58,473 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,474 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,474 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,475 - INFO - number of orbitals:  58
-2024-12-03 08:48:58,475 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,475 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,476 - INFO - moving on ...
-2024-12-03 08:48:58,476 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 08:48:58,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,476 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,476 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,477 - INFO - number of orbitals:  44
-2024-12-03 08:48:58,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,477 - INFO - moving on ...
-2024-12-03 08:48:58,478 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 08:48:58,478 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,478 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,478 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,479 - INFO - number of orbitals:  54
-2024-12-03 08:48:58,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,480 - INFO - moving on ...
-2024-12-03 08:48:58,480 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 08:48:58,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,482 - INFO - number of orbitals:  55
-2024-12-03 08:48:58,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,482 - INFO - moving on ...
-2024-12-03 08:48:58,482 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 08:48:58,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,485 - INFO - number of orbitals:  44
-2024-12-03 08:48:58,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,485 - INFO - moving on ...
-2024-12-03 08:48:58,485 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 08:48:58,485 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,485 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,485 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,488 - INFO - number of orbitals:  54
-2024-12-03 08:48:58,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,488 - INFO - moving on ...
-2024-12-03 08:48:58,488 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 08:48:58,488 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,488 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,488 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,491 - INFO - number of orbitals:  55
-2024-12-03 08:48:58,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,491 - INFO - moving on ...
-2024-12-03 08:48:58,491 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 08:48:58,491 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 08:48:58,491 - INFO - problem_instance short name: cr_dimer
-2024-12-03 08:48:58,491 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 08:48:58,491 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 08:48:58,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,492 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,492 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,494 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:48:58,494 - INFO - number of supporting files: 1
-2024-12-03 08:48:58,494 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 08:48:58,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 08:48:58,495 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 08:48:58,500 - INFO - number of entries in Hamiltonian_features.csv:  66
-2024-12-03 08:48:58,501 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 08:48:58,501 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 08:48:58,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,504 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:48:58,504 - INFO - number of supporting files: 1
-2024-12-03 08:48:58,504 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-03 08:48:58,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-03 08:48:58,504 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-03 08:48:58,510 - INFO - number of entries in Hamiltonian_features.csv:  66
-2024-12-03 08:48:58,511 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-03 08:48:58,511 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 08:48:58,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,514 - INFO - number of orbitals:  68
-2024-12-03 08:48:58,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,514 - INFO - moving on ...
-2024-12-03 08:48:58,514 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 08:48:58,514 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,514 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,514 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,517 - INFO - number of orbitals:  76
-2024-12-03 08:48:58,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,517 - INFO - moving on ...
-2024-12-03 08:48:58,517 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 08:48:58,517 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,518 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,518 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,520 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:48:58,520 - INFO - number of supporting files: 1
-2024-12-03 08:48:58,520 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 08:48:58,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 08:48:58,520 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 08:48:58,526 - INFO - number of entries in Hamiltonian_features.csv:  66
-2024-12-03 08:48:58,526 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 08:48:58,527 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 08:48:58,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,530 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:48:58,530 - INFO - number of supporting files: 1
-2024-12-03 08:48:58,530 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-03 08:48:58,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-03 08:48:58,530 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-03 08:48:58,535 - INFO - number of entries in Hamiltonian_features.csv:  66
-2024-12-03 08:48:58,536 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-03 08:48:58,536 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 08:48:58,536 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,536 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,536 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,539 - INFO - number of orbitals:  68
-2024-12-03 08:48:58,539 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,539 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,539 - INFO - moving on ...
-2024-12-03 08:48:58,539 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 08:48:58,539 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,539 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,539 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,542 - INFO - number of orbitals:  76
-2024-12-03 08:48:58,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,542 - INFO - moving on ...
-2024-12-03 08:48:58,542 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 08:48:58,542 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,542 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,542 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,545 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:48:58,545 - INFO - number of supporting files: 1
-2024-12-03 08:48:58,545 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 08:48:58,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 08:48:58,545 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 08:48:58,551 - INFO - number of entries in Hamiltonian_features.csv:  66
-2024-12-03 08:48:58,551 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 08:48:58,551 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 08:48:58,551 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,551 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,551 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,554 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:48:58,554 - INFO - number of supporting files: 1
-2024-12-03 08:48:58,554 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-03 08:48:58,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-03 08:48:58,554 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-03 08:48:58,560 - INFO - number of entries in Hamiltonian_features.csv:  66
-2024-12-03 08:48:58,560 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-03 08:48:58,560 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 08:48:58,560 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,561 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,561 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,563 - INFO - number of orbitals:  68
-2024-12-03 08:48:58,563 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,563 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,563 - INFO - moving on ...
-2024-12-03 08:48:58,563 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 08:48:58,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:48:58,564 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:48:58,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:48:58,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,566 - INFO - number of orbitals:  76
-2024-12-03 08:48:58,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:48:58,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:48:58,566 - INFO - moving on ...
-2024-12-03 08:48:58,566 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 08:48:58,567 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 08:48:58,567 - INFO - problem_instance short name: si_o_0
-2024-12-03 08:48:58,567 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:48:58,567 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 08:48:58,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:48:58,568 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:48:58,569 - INFO - number of supporting files: 2
-2024-12-03 08:48:58,569 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-03 08:48:58,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-03 08:48:58,569 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-03 08:48:58,574 - INFO - number of entries in Hamiltonian_features.csv:  66
-2024-12-03 08:48:58,575 - INFO - did NOT find instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 in database.
-2024-12-03 08:48:58,575 - INFO - Processing instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 ...
-2024-12-03 08:48:58,575 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz...
-2024-12-03 08:48:58,618 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:48:59,155 - INFO - Authentication (publickey) successful!
-2024-12-03 08:48:59,172 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:48:59,518 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:48:59,519 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:48:59,519 - INFO - decompressing file fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz...
-2024-12-03 08:48:59,552 - INFO - this script has been running for 0.99 hours.
-2024-12-03 08:48:59,552 - INFO - ===============================================
-2024-12-03 08:48:59,552 - INFO - calculating Hamiltonian features...
-2024-12-03 08:48:59,552 - INFO - reading data from fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7
-2024-12-03 08:48:59,850 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:48:59,850 - INFO - data['NORB']: 32
-2024-12-03 08:48:59,850 - INFO - len(data['H1']): 32
-2024-12-03 08:48:59,850 - INFO - ao2mo.restore...
-2024-12-03 08:48:59,852 - INFO - done.
-2024-12-03 08:48:59,852 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:48:59,852 - INFO - done.
-2024-12-03 08:48:59,852 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:50:49,710 - INFO - done.
-2024-12-03 08:50:49,710 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:50:58,218 - INFO - done.
-2024-12-03 08:50:58,218 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:50:58,783 - INFO - done.
-2024-12-03 08:50:58,783 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:50:58,891 - INFO - done.
-2024-12-03 08:50:58,891 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:50:58,891 - INFO - done.
-2024-12-03 08:50:58,892 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:50:58,892 - INFO - done.
-2024-12-03 08:50:58,995 - INFO - Hamiltonian features calculation run time (seconds): 119.442529
-2024-12-03 08:50:58,995 - INFO - wrote df_eigs to file: df_eigs.ab244b36-ab52-4cce-b50a-2b04d8c548e7.bin
-2024-12-03 08:50:58,995 - INFO - deleting file fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-03 08:50:58,996 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:50:59,001 - INFO - this script has been running for 1.03 hours.
-2024-12-03 08:50:59,001 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-03 08:50:59,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-03 08:50:59,001 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:50:59,001 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 08:50:59,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,003 - INFO - number of orbitals:  114
-2024-12-03 08:50:59,003 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,003 - INFO - moving on ...
-2024-12-03 08:50:59,003 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 08:50:59,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,004 - INFO - number of orbitals:  64
-2024-12-03 08:50:59,004 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,004 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,004 - INFO - moving on ...
-2024-12-03 08:50:59,004 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 08:50:59,004 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 08:50:59,004 - INFO - problem_instance short name: h_cl_0
-2024-12-03 08:50:59,004 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 08:50:59,004 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 08:50:59,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,006 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:50:59,006 - INFO - number of supporting files: 2
-2024-12-03 08:50:59,006 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 08:50:59,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 08:50:59,006 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 08:50:59,009 - INFO - number of entries in Hamiltonian_features.csv:  67
-2024-12-03 08:50:59,010 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 08:50:59,010 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 08:50:59,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 08:50:59,010 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:50:59,010 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 08:50:59,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,011 - INFO - number of orbitals:  89
-2024-12-03 08:50:59,011 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,011 - INFO - moving on ...
-2024-12-03 08:50:59,011 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 08:50:59,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,013 - INFO - number of orbitals:  48
-2024-12-03 08:50:59,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,013 - INFO - moving on ...
-2024-12-03 08:50:59,013 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 08:50:59,013 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 08:50:59,013 - INFO - problem_instance short name: Mn_1
-2024-12-03 08:50:59,013 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:50:59,013 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 08:50:59,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,014 - INFO - number of orbitals:  54
-2024-12-03 08:50:59,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,014 - INFO - moving on ...
-2024-12-03 08:50:59,014 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 08:50:59,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,015 - INFO - number of orbitals:  88
-2024-12-03 08:50:59,015 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,016 - INFO - moving on ...
-2024-12-03 08:50:59,016 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 08:50:59,016 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 08:50:59,016 - INFO - problem_instance short name: Mn_0
-2024-12-03 08:50:59,016 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:50:59,016 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 08:50:59,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,017 - INFO - number of orbitals:  54
-2024-12-03 08:50:59,017 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,017 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,017 - INFO - moving on ...
-2024-12-03 08:50:59,017 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 08:50:59,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,018 - INFO - number of orbitals:  88
-2024-12-03 08:50:59,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,018 - INFO - moving on ...
-2024-12-03 08:50:59,018 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 08:50:59,018 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 08:50:59,018 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 08:50:59,018 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:50:59,018 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 08:50:59,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,020 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:50:59,020 - INFO - number of supporting files: 1
-2024-12-03 08:50:59,020 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-03 08:50:59,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-03 08:50:59,020 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-03 08:50:59,023 - INFO - number of entries in Hamiltonian_features.csv:  67
-2024-12-03 08:50:59,023 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-03 08:50:59,024 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 08:50:59,024 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 08:50:59,024 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 08:50:59,024 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:50:59,024 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 08:50:59,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,025 - INFO - number of orbitals:  38
-2024-12-03 08:50:59,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,025 - INFO - moving on ...
-2024-12-03 08:50:59,025 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 08:50:59,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,026 - INFO - number of orbitals:  88
-2024-12-03 08:50:59,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:50:59,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:50:59,027 - INFO - moving on ...
-2024-12-03 08:50:59,027 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 08:50:59,027 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 08:50:59,027 - INFO - problem_instance short name: c_h4_0
-2024-12-03 08:50:59,027 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 08:50:59,027 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 08:50:59,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:50:59,028 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:50:59,028 - INFO - number of supporting files: 2
-2024-12-03 08:50:59,028 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-03 08:50:59,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-03 08:50:59,028 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-03 08:50:59,032 - INFO - number of entries in Hamiltonian_features.csv:  67
-2024-12-03 08:50:59,032 - INFO - did NOT find instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef in database.
-2024-12-03 08:50:59,032 - INFO - Processing instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef ...
-2024-12-03 08:50:59,032 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz...
-2024-12-03 08:50:59,079 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:50:59,602 - INFO - Authentication (publickey) successful!
-2024-12-03 08:50:59,628 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:50:59,794 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:50:59,794 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:50:59,794 - INFO - decompressing file fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz...
-2024-12-03 08:50:59,875 - INFO - this script has been running for 1.03 hours.
-2024-12-03 08:50:59,875 - INFO - ===============================================
-2024-12-03 08:50:59,875 - INFO - calculating Hamiltonian features...
-2024-12-03 08:50:59,875 - INFO - reading data from fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef
-2024-12-03 08:51:00,508 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:51:00,508 - INFO - data['NORB']: 34
-2024-12-03 08:51:00,508 - INFO - len(data['H1']): 34
-2024-12-03 08:51:00,508 - INFO - ao2mo.restore...
-2024-12-03 08:51:00,512 - INFO - done.
-2024-12-03 08:51:00,513 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:51:00,513 - INFO - done.
-2024-12-03 08:51:00,513 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:55:43,532 - INFO - done.
-2024-12-03 08:55:43,532 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 08:56:06,518 - INFO - done.
-2024-12-03 08:56:06,519 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 08:56:08,397 - INFO - done.
-2024-12-03 08:56:08,397 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 08:56:08,519 - INFO - done.
-2024-12-03 08:56:08,519 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 08:56:08,520 - INFO - done.
-2024-12-03 08:56:08,520 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 08:56:08,520 - INFO - done.
-2024-12-03 08:56:08,687 - INFO - Hamiltonian features calculation run time (seconds): 308.811967
-2024-12-03 08:56:08,688 - INFO - wrote df_eigs to file: df_eigs.a7321b5d-4730-4ace-9ff8-734ec07f3fef.bin
-2024-12-03 08:56:08,688 - INFO - deleting file fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-03 08:56:08,689 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 08:56:08,694 - INFO - this script has been running for 1.11 hours.
-2024-12-03 08:56:08,694 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-03 08:56:08,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-03 08:56:08,694 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 08:56:08,694 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 08:56:08,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:56:08,695 - INFO - number of orbitals:  86
-2024-12-03 08:56:08,695 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:56:08,695 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:56:08,695 - INFO - moving on ...
-2024-12-03 08:56:08,695 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 08:56:08,696 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 08:56:08,696 - INFO - problem_instance short name: CrO_0
-2024-12-03 08:56:08,696 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 08:56:08,696 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 08:56:08,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:56:08,697 - INFO - number of orbitals:  76
-2024-12-03 08:56:08,697 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 08:56:08,697 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 08:56:08,697 - INFO - moving on ...
-2024-12-03 08:56:08,697 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 08:56:08,697 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 08:56:08,697 - INFO - problem_instance short name: mo_n2
-2024-12-03 08:56:08,697 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 08:56:08,697 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 08:56:08,697 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 08:56:08,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 08:56:08,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 08:56:08,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 08:56:08,699 - INFO - attempting to process the Hamiltonian...
-2024-12-03 08:56:08,700 - INFO - number of supporting files: 1
-2024-12-03 08:56:08,700 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-03 08:56:08,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-03 08:56:08,700 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-03 08:56:08,704 - INFO - number of entries in Hamiltonian_features.csv:  68
-2024-12-03 08:56:08,704 - INFO - did NOT find instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e in database.
-2024-12-03 08:56:08,704 - INFO - Processing instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e ...
-2024-12-03 08:56:08,704 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz...
-2024-12-03 08:56:08,748 - INFO - Connected (version 2.0, client 0)
-2024-12-03 08:56:09,268 - INFO - Authentication (publickey) successful!
-2024-12-03 08:56:09,287 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 08:56:09,531 - INFO - [chan 0] sftp session closed.
-2024-12-03 08:56:09,531 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 08:56:09,532 - INFO - decompressing file fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz...
-2024-12-03 08:56:09,579 - INFO - this script has been running for 1.11 hours.
-2024-12-03 08:56:09,579 - INFO - ===============================================
-2024-12-03 08:56:09,579 - INFO - calculating Hamiltonian features...
-2024-12-03 08:56:09,579 - INFO - reading data from fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e
-2024-12-03 08:56:09,850 - INFO - finished reading FCIDUMP data.
-2024-12-03 08:56:09,850 - INFO - data['NORB']: 31
-2024-12-03 08:56:09,850 - INFO - len(data['H1']): 31
-2024-12-03 08:56:09,851 - INFO - ao2mo.restore...
-2024-12-03 08:56:09,852 - INFO - done.
-2024-12-03 08:56:09,852 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 08:56:09,853 - INFO - done.
-2024-12-03 08:56:09,853 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 08:59:51,282 - INFO - done.
-2024-12-03 08:59:51,283 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:00:09,974 - INFO - done.
-2024-12-03 09:00:09,974 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:00:11,360 - INFO - done.
-2024-12-03 09:00:11,360 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:00:11,452 - INFO - done.
-2024-12-03 09:00:11,452 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:00:11,452 - INFO - done.
-2024-12-03 09:00:11,452 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:00:11,452 - INFO - done.
-2024-12-03 09:00:11,584 - INFO - Hamiltonian features calculation run time (seconds): 242.004472
-2024-12-03 09:00:11,584 - INFO - wrote df_eigs to file: df_eigs.23aa47ca-9afe-4086-bd97-75de310e033e.bin
-2024-12-03 09:00:11,584 - INFO - deleting file fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-03 09:00:11,585 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:00:11,590 - INFO - this script has been running for 1.18 hours.
-2024-12-03 09:00:11,590 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 09:00:11,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:00:11,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:00:11,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:00:11,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,592 - INFO - number of orbitals:  46
-2024-12-03 09:00:11,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,592 - INFO - moving on ...
-2024-12-03 09:00:11,592 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 09:00:11,592 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:00:11,592 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:00:11,592 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:00:11,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,595 - INFO - number of orbitals:  46
-2024-12-03 09:00:11,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,595 - INFO - moving on ...
-2024-12-03 09:00:11,595 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 09:00:11,595 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:00:11,595 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:00:11,595 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:00:11,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,597 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:00:11,597 - INFO - number of supporting files: 1
-2024-12-03 09:00:11,597 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-03 09:00:11,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-03 09:00:11,597 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-03 09:00:11,601 - INFO - number of entries in Hamiltonian_features.csv:  69
-2024-12-03 09:00:11,601 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-03 09:00:11,601 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 09:00:11,602 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 09:00:11,602 - INFO - problem_instance short name: Fe_1
-2024-12-03 09:00:11,602 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:00:11,602 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 09:00:11,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,603 - INFO - number of orbitals:  54
-2024-12-03 09:00:11,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,603 - INFO - moving on ...
-2024-12-03 09:00:11,603 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 09:00:11,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,605 - INFO - number of orbitals:  88
-2024-12-03 09:00:11,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,605 - INFO - moving on ...
-2024-12-03 09:00:11,605 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 09:00:11,605 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 09:00:11,605 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 09:00:11,605 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:00:11,605 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 09:00:11,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,606 - INFO - number of orbitals:  37
-2024-12-03 09:00:11,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,606 - INFO - moving on ...
-2024-12-03 09:00:11,606 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 09:00:11,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,608 - INFO - number of orbitals:  78
-2024-12-03 09:00:11,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,608 - INFO - moving on ...
-2024-12-03 09:00:11,608 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 09:00:11,608 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 09:00:11,608 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 09:00:11,608 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:00:11,608 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 09:00:11,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,609 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:00:11,610 - INFO - number of supporting files: 1
-2024-12-03 09:00:11,610 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 09:00:11,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 09:00:11,610 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 09:00:11,615 - INFO - number of entries in Hamiltonian_features.csv:  69
-2024-12-03 09:00:11,615 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 09:00:11,615 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 09:00:11,615 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 09:00:11,615 - INFO - problem_instance short name: si_h4_0
-2024-12-03 09:00:11,615 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:00:11,615 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 09:00:11,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,617 - INFO - number of orbitals:  38
-2024-12-03 09:00:11,617 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,617 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,617 - INFO - moving on ...
-2024-12-03 09:00:11,617 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 09:00:11,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,619 - INFO - number of orbitals:  90
-2024-12-03 09:00:11,619 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,619 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,619 - INFO - moving on ...
-2024-12-03 09:00:11,619 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 09:00:11,619 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 09:00:11,619 - INFO - problem_instance short name: h2_o_0
-2024-12-03 09:00:11,619 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:00:11,619 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 09:00:11,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,621 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:00:11,621 - INFO - number of supporting files: 2
-2024-12-03 09:00:11,621 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 09:00:11,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 09:00:11,621 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 09:00:11,626 - INFO - number of entries in Hamiltonian_features.csv:  69
-2024-12-03 09:00:11,626 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 09:00:11,626 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 09:00:11,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 09:00:11,627 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:00:11,627 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 09:00:11,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,628 - INFO - number of orbitals:  115
-2024-12-03 09:00:11,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,628 - INFO - moving on ...
-2024-12-03 09:00:11,628 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 09:00:11,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,630 - INFO - number of orbitals:  58
-2024-12-03 09:00:11,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,630 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,630 - INFO - moving on ...
-2024-12-03 09:00:11,630 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 09:00:11,630 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 09:00:11,630 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 09:00:11,630 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:00:11,630 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 09:00:11,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,632 - INFO - number of orbitals:  38
-2024-12-03 09:00:11,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,632 - INFO - moving on ...
-2024-12-03 09:00:11,632 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 09:00:11,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,633 - INFO - number of orbitals:  88
-2024-12-03 09:00:11,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,633 - INFO - moving on ...
-2024-12-03 09:00:11,634 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 09:00:11,634 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 09:00:11,634 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 09:00:11,634 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 09:00:11,634 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 09:00:11,634 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:00:11,635 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:00:11,635 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:00:11,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,636 - INFO - number of orbitals:  55
-2024-12-03 09:00:11,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,637 - INFO - moving on ...
-2024-12-03 09:00:11,637 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 09:00:11,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:00:11,637 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:00:11,637 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:00:11,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,639 - INFO - number of orbitals:  70
-2024-12-03 09:00:11,639 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,639 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,639 - INFO - moving on ...
-2024-12-03 09:00:11,639 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 09:00:11,639 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:00:11,639 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:00:11,639 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:00:11,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,641 - INFO - number of orbitals:  55
-2024-12-03 09:00:11,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,641 - INFO - moving on ...
-2024-12-03 09:00:11,641 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 09:00:11,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:00:11,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:00:11,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:00:11,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,643 - INFO - number of orbitals:  69
-2024-12-03 09:00:11,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:00:11,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:00:11,643 - INFO - moving on ...
-2024-12-03 09:00:11,643 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 09:00:11,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:00:11,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:00:11,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:00:11,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:00:11,645 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:00:11,645 - INFO - number of supporting files: 1
-2024-12-03 09:00:11,645 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-03 09:00:11,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-03 09:00:11,645 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-03 09:00:11,650 - INFO - number of entries in Hamiltonian_features.csv:  69
-2024-12-03 09:00:11,650 - INFO - did NOT find instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff in database.
-2024-12-03 09:00:11,650 - INFO - Processing instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff ...
-2024-12-03 09:00:11,650 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz...
-2024-12-03 09:00:11,693 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:00:12,237 - INFO - Authentication (publickey) successful!
-2024-12-03 09:00:12,251 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:00:12,355 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:00:12,355 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:00:12,355 - INFO - decompressing file fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz...
-2024-12-03 09:00:12,400 - INFO - this script has been running for 1.18 hours.
-2024-12-03 09:00:12,401 - INFO - ===============================================
-2024-12-03 09:00:12,401 - INFO - calculating Hamiltonian features...
-2024-12-03 09:00:12,401 - INFO - reading data from fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff
-2024-12-03 09:00:12,731 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:00:12,731 - INFO - data['NORB']: 31
-2024-12-03 09:00:12,731 - INFO - len(data['H1']): 31
-2024-12-03 09:00:12,731 - INFO - ao2mo.restore...
-2024-12-03 09:00:12,733 - INFO - done.
-2024-12-03 09:00:12,733 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:00:12,734 - INFO - done.
-2024-12-03 09:00:12,734 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:04:02,512 - INFO - done.
-2024-12-03 09:04:02,513 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:04:21,029 - INFO - done.
-2024-12-03 09:04:21,029 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:04:22,314 - INFO - done.
-2024-12-03 09:04:22,314 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:04:22,399 - INFO - done.
-2024-12-03 09:04:22,400 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:04:22,400 - INFO - done.
-2024-12-03 09:04:22,400 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:04:22,400 - INFO - done.
-2024-12-03 09:04:22,525 - INFO - Hamiltonian features calculation run time (seconds): 250.124293
-2024-12-03 09:04:22,525 - INFO - wrote df_eigs to file: df_eigs.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.bin
-2024-12-03 09:04:22,525 - INFO - deleting file fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-03 09:04:22,526 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:04:22,531 - INFO - this script has been running for 1.25 hours.
-2024-12-03 09:04:22,531 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 09:04:22,531 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:04:22,531 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:04:22,531 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:04:22,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:04:22,533 - INFO - number of orbitals:  45
-2024-12-03 09:04:22,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:04:22,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:04:22,533 - INFO - moving on ...
-2024-12-03 09:04:22,533 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 09:04:22,533 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:04:22,533 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:04:22,533 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:04:22,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:04:22,535 - INFO - number of orbitals:  55
-2024-12-03 09:04:22,535 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:04:22,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:04:22,535 - INFO - moving on ...
-2024-12-03 09:04:22,535 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 09:04:22,535 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:04:22,535 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:04:22,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:04:22,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:04:22,537 - INFO - number of orbitals:  69
-2024-12-03 09:04:22,537 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:04:22,537 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:04:22,537 - INFO - moving on ...
-2024-12-03 09:04:22,537 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 09:04:22,537 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:04:22,537 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:04:22,537 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:04:22,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:04:22,539 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:04:22,539 - INFO - number of supporting files: 1
-2024-12-03 09:04:22,539 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-03 09:04:22,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-03 09:04:22,539 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-03 09:04:22,543 - INFO - number of entries in Hamiltonian_features.csv:  70
-2024-12-03 09:04:22,543 - INFO - did NOT find instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 in database.
-2024-12-03 09:04:22,543 - INFO - Processing instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 ...
-2024-12-03 09:04:22,543 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz...
-2024-12-03 09:04:22,591 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:04:23,122 - INFO - Authentication (publickey) successful!
-2024-12-03 09:04:23,145 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:04:23,273 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:04:23,274 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:04:23,274 - INFO - decompressing file fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz...
-2024-12-03 09:04:23,328 - INFO - this script has been running for 1.25 hours.
-2024-12-03 09:04:23,328 - INFO - ===============================================
-2024-12-03 09:04:23,328 - INFO - calculating Hamiltonian features...
-2024-12-03 09:04:23,328 - INFO - reading data from fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835
-2024-12-03 09:04:23,586 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:04:23,587 - INFO - data['NORB']: 31
-2024-12-03 09:04:23,587 - INFO - len(data['H1']): 31
-2024-12-03 09:04:23,587 - INFO - ao2mo.restore...
-2024-12-03 09:04:23,588 - INFO - done.
-2024-12-03 09:04:23,589 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:04:23,589 - INFO - done.
-2024-12-03 09:04:23,589 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:08:10,157 - INFO - done.
-2024-12-03 09:08:10,157 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:08:28,605 - INFO - done.
-2024-12-03 09:08:28,605 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:08:29,996 - INFO - done.
-2024-12-03 09:08:29,997 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:08:30,086 - INFO - done.
-2024-12-03 09:08:30,087 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:08:30,087 - INFO - done.
-2024-12-03 09:08:30,087 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:08:30,087 - INFO - done.
-2024-12-03 09:08:30,212 - INFO - Hamiltonian features calculation run time (seconds): 246.883733
-2024-12-03 09:08:30,213 - INFO - wrote df_eigs to file: df_eigs.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.bin
-2024-12-03 09:08:30,213 - INFO - deleting file fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-03 09:08:30,214 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:08:30,219 - INFO - this script has been running for 1.32 hours.
-2024-12-03 09:08:30,219 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 09:08:30,219 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:08:30,219 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:08:30,220 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:08:30,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:08:30,223 - INFO - number of orbitals:  45
-2024-12-03 09:08:30,223 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:08:30,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:08:30,223 - INFO - moving on ...
-2024-12-03 09:08:30,223 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 09:08:30,223 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:08:30,224 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:08:30,224 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:08:30,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:08:30,226 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:08:30,227 - INFO - number of supporting files: 1
-2024-12-03 09:08:30,227 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-03 09:08:30,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-03 09:08:30,227 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-03 09:08:30,232 - INFO - number of entries in Hamiltonian_features.csv:  71
-2024-12-03 09:08:30,233 - INFO - did NOT find instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 in database.
-2024-12-03 09:08:30,233 - INFO - Processing instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 ...
-2024-12-03 09:08:30,233 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz...
-2024-12-03 09:08:30,279 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:08:30,803 - INFO - Authentication (publickey) successful!
-2024-12-03 09:08:30,827 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:08:30,941 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:08:30,942 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:08:30,942 - INFO - decompressing file fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz...
-2024-12-03 09:08:30,985 - INFO - this script has been running for 1.32 hours.
-2024-12-03 09:08:30,985 - INFO - ===============================================
-2024-12-03 09:08:30,986 - INFO - calculating Hamiltonian features...
-2024-12-03 09:08:30,986 - INFO - reading data from fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2
-2024-12-03 09:08:31,242 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:08:31,242 - INFO - data['NORB']: 31
-2024-12-03 09:08:31,242 - INFO - len(data['H1']): 31
-2024-12-03 09:08:31,242 - INFO - ao2mo.restore...
-2024-12-03 09:08:31,244 - INFO - done.
-2024-12-03 09:08:31,244 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:08:31,244 - INFO - done.
-2024-12-03 09:08:31,244 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:12:17,992 - INFO - done.
-2024-12-03 09:12:17,992 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:12:37,016 - INFO - done.
-2024-12-03 09:12:37,016 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:12:38,324 - INFO - done.
-2024-12-03 09:12:38,324 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:12:38,412 - INFO - done.
-2024-12-03 09:12:38,412 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:12:38,412 - INFO - done.
-2024-12-03 09:12:38,412 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:12:38,413 - INFO - done.
-2024-12-03 09:12:38,542 - INFO - Hamiltonian features calculation run time (seconds): 247.556157
-2024-12-03 09:12:38,543 - INFO - wrote df_eigs to file: df_eigs.bed1771c-394c-44e6-93e3-ca41732326d2.bin
-2024-12-03 09:12:38,543 - INFO - deleting file fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-03 09:12:38,544 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:12:38,549 - INFO - this script has been running for 1.39 hours.
-2024-12-03 09:12:38,549 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 09:12:38,549 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:12:38,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:12:38,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:12:38,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:12:38,552 - INFO - number of orbitals:  45
-2024-12-03 09:12:38,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:12:38,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:12:38,553 - INFO - moving on ...
-2024-12-03 09:12:38,553 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 09:12:38,553 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:12:38,553 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:12:38,553 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:12:38,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:12:38,555 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:12:38,555 - INFO - number of supporting files: 1
-2024-12-03 09:12:38,556 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-03 09:12:38,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-03 09:12:38,556 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-03 09:12:38,560 - INFO - number of entries in Hamiltonian_features.csv:  72
-2024-12-03 09:12:38,561 - INFO - did NOT find instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d in database.
-2024-12-03 09:12:38,561 - INFO - Processing instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d ...
-2024-12-03 09:12:38,561 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz...
-2024-12-03 09:12:38,608 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:12:39,778 - INFO - Authentication (publickey) successful!
-2024-12-03 09:12:39,799 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:12:40,250 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:12:40,251 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:12:40,251 - INFO - decompressing file fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz...
-2024-12-03 09:12:40,298 - INFO - this script has been running for 1.39 hours.
-2024-12-03 09:12:40,299 - INFO - ===============================================
-2024-12-03 09:12:40,299 - INFO - calculating Hamiltonian features...
-2024-12-03 09:12:40,299 - INFO - reading data from fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d
-2024-12-03 09:12:40,581 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:12:40,581 - INFO - data['NORB']: 31
-2024-12-03 09:12:40,582 - INFO - len(data['H1']): 31
-2024-12-03 09:12:40,582 - INFO - ao2mo.restore...
-2024-12-03 09:12:40,583 - INFO - done.
-2024-12-03 09:12:40,584 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:12:40,584 - INFO - done.
-2024-12-03 09:12:40,584 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:16:29,680 - INFO - done.
-2024-12-03 09:16:29,680 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:16:47,958 - INFO - done.
-2024-12-03 09:16:47,958 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:16:49,390 - INFO - done.
-2024-12-03 09:16:49,390 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:16:49,475 - INFO - done.
-2024-12-03 09:16:49,475 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:16:49,476 - INFO - done.
-2024-12-03 09:16:49,476 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:16:49,476 - INFO - done.
-2024-12-03 09:16:49,606 - INFO - Hamiltonian features calculation run time (seconds): 249.306529
-2024-12-03 09:16:49,607 - INFO - wrote df_eigs to file: df_eigs.e03635b0-a537-4a58-9f3e-c7114715e47d.bin
-2024-12-03 09:16:49,607 - INFO - deleting file fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-03 09:16:49,608 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:16:49,613 - INFO - this script has been running for 1.46 hours.
-2024-12-03 09:16:49,613 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 09:16:49,613 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:16:49,613 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:16:49,614 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:16:49,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,616 - INFO - number of orbitals:  45
-2024-12-03 09:16:49,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:16:49,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:16:49,616 - INFO - moving on ...
-2024-12-03 09:16:49,616 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 09:16:49,616 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:16:49,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:16:49,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:16:49,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,619 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:16:49,619 - INFO - number of supporting files: 1
-2024-12-03 09:16:49,619 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 09:16:49,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 09:16:49,619 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 09:16:49,624 - INFO - number of entries in Hamiltonian_features.csv:  73
-2024-12-03 09:16:49,624 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 09:16:49,625 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 09:16:49,625 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:16:49,625 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:16:49,625 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:16:49,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,627 - INFO - number of orbitals:  39
-2024-12-03 09:16:49,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:16:49,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:16:49,628 - INFO - moving on ...
-2024-12-03 09:16:49,628 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 09:16:49,628 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 09:16:49,628 - INFO - problem_instance short name: Cr_1
-2024-12-03 09:16:49,628 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:16:49,629 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 09:16:49,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,630 - INFO - number of orbitals:  54
-2024-12-03 09:16:49,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:16:49,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:16:49,631 - INFO - moving on ...
-2024-12-03 09:16:49,631 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 09:16:49,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,632 - INFO - number of orbitals:  135
-2024-12-03 09:16:49,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:16:49,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:16:49,633 - INFO - moving on ...
-2024-12-03 09:16:49,633 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 09:16:49,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,634 - INFO - number of orbitals:  88
-2024-12-03 09:16:49,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:16:49,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:16:49,635 - INFO - moving on ...
-2024-12-03 09:16:49,635 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 09:16:49,635 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 09:16:49,635 - INFO - problem_instance short name: ru_macho
-2024-12-03 09:16:49,636 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 09:16:49,636 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 09:16:49,636 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:16:49,636 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:16:49,636 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:16:49,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,638 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:16:49,638 - INFO - number of supporting files: 1
-2024-12-03 09:16:49,638 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 09:16:49,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 09:16:49,639 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 09:16:49,643 - INFO - number of entries in Hamiltonian_features.csv:  73
-2024-12-03 09:16:49,644 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 09:16:49,644 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 09:16:49,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:16:49,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:16:49,644 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:16:49,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,646 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:16:49,647 - INFO - number of supporting files: 1
-2024-12-03 09:16:49,647 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 09:16:49,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 09:16:49,647 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 09:16:49,651 - INFO - number of entries in Hamiltonian_features.csv:  73
-2024-12-03 09:16:49,652 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 09:16:49,652 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 09:16:49,652 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:16:49,652 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:16:49,652 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:16:49,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,654 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:16:49,654 - INFO - number of supporting files: 1
-2024-12-03 09:16:49,654 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 09:16:49,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 09:16:49,655 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 09:16:49,659 - INFO - number of entries in Hamiltonian_features.csv:  73
-2024-12-03 09:16:49,659 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 09:16:49,660 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 09:16:49,660 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:16:49,660 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:16:49,660 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:16:49,661 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,662 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:16:49,662 - INFO - number of supporting files: 1
-2024-12-03 09:16:49,662 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 09:16:49,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 09:16:49,662 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 09:16:49,667 - INFO - number of entries in Hamiltonian_features.csv:  73
-2024-12-03 09:16:49,667 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 09:16:49,667 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 09:16:49,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:16:49,668 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:16:49,668 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:16:49,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:16:49,670 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:16:49,670 - INFO - number of supporting files: 1
-2024-12-03 09:16:49,670 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-03 09:16:49,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-03 09:16:49,670 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-03 09:16:49,675 - INFO - number of entries in Hamiltonian_features.csv:  73
-2024-12-03 09:16:49,675 - INFO - did NOT find instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 in database.
-2024-12-03 09:16:49,675 - INFO - Processing instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 ...
-2024-12-03 09:16:49,675 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz...
-2024-12-03 09:16:49,721 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:16:50,229 - INFO - Authentication (publickey) successful!
-2024-12-03 09:16:50,250 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:16:50,470 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:16:50,471 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:16:50,471 - INFO - decompressing file fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz...
-2024-12-03 09:16:50,522 - INFO - this script has been running for 1.46 hours.
-2024-12-03 09:16:50,523 - INFO - ===============================================
-2024-12-03 09:16:50,523 - INFO - calculating Hamiltonian features...
-2024-12-03 09:16:50,523 - INFO - reading data from fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5
-2024-12-03 09:16:50,840 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:16:50,841 - INFO - data['NORB']: 33
-2024-12-03 09:16:50,841 - INFO - len(data['H1']): 33
-2024-12-03 09:16:50,841 - INFO - ao2mo.restore...
-2024-12-03 09:16:50,843 - INFO - done.
-2024-12-03 09:16:50,843 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:16:50,844 - INFO - done.
-2024-12-03 09:16:50,844 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:21:39,889 - INFO - done.
-2024-12-03 09:21:39,889 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:22:03,396 - INFO - done.
-2024-12-03 09:22:03,396 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:22:05,193 - INFO - done.
-2024-12-03 09:22:05,194 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:22:05,302 - INFO - done.
-2024-12-03 09:22:05,302 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:22:05,302 - INFO - done.
-2024-12-03 09:22:05,302 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:22:05,303 - INFO - done.
-2024-12-03 09:22:05,470 - INFO - Hamiltonian features calculation run time (seconds): 314.946763
-2024-12-03 09:22:05,470 - INFO - wrote df_eigs to file: df_eigs.496aaf89-2cdf-43cf-8b25-246e915cc8b5.bin
-2024-12-03 09:22:05,470 - INFO - deleting file fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-03 09:22:05,471 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:22:05,476 - INFO - this script has been running for 1.55 hours.
-2024-12-03 09:22:05,476 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 09:22:05,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:22:05,477 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:22:05,477 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:22:05,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,479 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:22:05,479 - INFO - number of supporting files: 1
-2024-12-03 09:22:05,479 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 09:22:05,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 09:22:05,479 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 09:22:05,483 - INFO - number of entries in Hamiltonian_features.csv:  74
-2024-12-03 09:22:05,484 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 09:22:05,484 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 09:22:05,484 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:22:05,484 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:22:05,484 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:22:05,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,486 - INFO - number of orbitals:  45
-2024-12-03 09:22:05,486 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:22:05,486 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:22:05,486 - INFO - moving on ...
-2024-12-03 09:22:05,486 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 09:22:05,486 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:22:05,486 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:22:05,486 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:22:05,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,488 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:22:05,488 - INFO - number of supporting files: 1
-2024-12-03 09:22:05,488 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 09:22:05,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 09:22:05,488 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 09:22:05,492 - INFO - number of entries in Hamiltonian_features.csv:  74
-2024-12-03 09:22:05,492 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 09:22:05,493 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 09:22:05,493 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:22:05,493 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:22:05,493 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:22:05,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,495 - INFO - number of orbitals:  42
-2024-12-03 09:22:05,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:22:05,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:22:05,495 - INFO - moving on ...
-2024-12-03 09:22:05,495 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 09:22:05,495 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 09:22:05,495 - INFO - problem_instance short name: na_cl_0
-2024-12-03 09:22:05,495 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:22:05,495 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 09:22:05,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,497 - INFO - number of orbitals:  36
-2024-12-03 09:22:05,497 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:22:05,497 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:22:05,497 - INFO - moving on ...
-2024-12-03 09:22:05,497 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 09:22:05,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,498 - INFO - number of orbitals:  118
-2024-12-03 09:22:05,498 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:22:05,498 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:22:05,498 - INFO - moving on ...
-2024-12-03 09:22:05,498 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 09:22:05,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,499 - INFO - number of orbitals:  68
-2024-12-03 09:22:05,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:22:05,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:22:05,500 - INFO - moving on ...
-2024-12-03 09:22:05,500 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 09:22:05,500 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 09:22:05,500 - INFO - problem_instance short name: be_0
-2024-12-03 09:22:05,500 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:22:05,500 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 09:22:05,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,501 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:22:05,501 - INFO - number of supporting files: 2
-2024-12-03 09:22:05,501 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 09:22:05,501 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 09:22:05,501 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 09:22:05,506 - INFO - number of entries in Hamiltonian_features.csv:  74
-2024-12-03 09:22:05,506 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 09:22:05,506 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 09:22:05,506 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 09:22:05,506 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:22:05,506 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 09:22:05,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,508 - INFO - number of orbitals:  55
-2024-12-03 09:22:05,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:22:05,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:22:05,508 - INFO - moving on ...
-2024-12-03 09:22:05,508 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 09:22:05,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,509 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:22:05,509 - INFO - number of supporting files: 2
-2024-12-03 09:22:05,509 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-03 09:22:05,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-03 09:22:05,509 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-03 09:22:05,514 - INFO - number of entries in Hamiltonian_features.csv:  74
-2024-12-03 09:22:05,514 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-03 09:22:05,514 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-03 09:22:05,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-03 09:22:05,514 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:22:05,514 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 09:22:05,514 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 09:22:05,514 - INFO - problem_instance short name: p_h3_0
-2024-12-03 09:22:05,514 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:22:05,514 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 09:22:05,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:22:05,516 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:22:05,516 - INFO - number of supporting files: 2
-2024-12-03 09:22:05,516 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-03 09:22:05,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-03 09:22:05,516 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-03 09:22:05,520 - INFO - number of entries in Hamiltonian_features.csv:  74
-2024-12-03 09:22:05,520 - INFO - did NOT find instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 in database.
-2024-12-03 09:22:05,520 - INFO - Processing instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 ...
-2024-12-03 09:22:05,520 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz...
-2024-12-03 09:22:05,564 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:22:06,081 - INFO - Authentication (publickey) successful!
-2024-12-03 09:22:06,100 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:22:06,282 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:22:06,282 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:22:06,282 - INFO - decompressing file fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz...
-2024-12-03 09:22:06,364 - INFO - this script has been running for 1.55 hours.
-2024-12-03 09:22:06,364 - INFO - ===============================================
-2024-12-03 09:22:06,364 - INFO - calculating Hamiltonian features...
-2024-12-03 09:22:06,364 - INFO - reading data from fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1
-2024-12-03 09:22:07,037 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:22:07,037 - INFO - data['NORB']: 33
-2024-12-03 09:22:07,037 - INFO - len(data['H1']): 33
-2024-12-03 09:22:07,037 - INFO - ao2mo.restore...
-2024-12-03 09:22:07,040 - INFO - done.
-2024-12-03 09:22:07,040 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:22:07,040 - INFO - done.
-2024-12-03 09:22:07,040 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:26:33,841 - INFO - done.
-2024-12-03 09:26:33,841 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:26:52,520 - INFO - done.
-2024-12-03 09:26:52,520 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:26:53,945 - INFO - done.
-2024-12-03 09:26:53,945 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:26:54,045 - INFO - done.
-2024-12-03 09:26:54,045 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:26:54,045 - INFO - done.
-2024-12-03 09:26:54,045 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:26:54,045 - INFO - done.
-2024-12-03 09:26:54,184 - INFO - Hamiltonian features calculation run time (seconds): 287.819435
-2024-12-03 09:26:54,184 - INFO - wrote df_eigs to file: df_eigs.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.bin
-2024-12-03 09:26:54,184 - INFO - deleting file fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-03 09:26:54,186 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:26:54,190 - INFO - this script has been running for 1.63 hours.
-2024-12-03 09:26:54,190 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-03 09:26:54,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-03 09:26:54,190 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:26:54,190 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 09:26:54,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,192 - INFO - number of orbitals:  76
-2024-12-03 09:26:54,192 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,192 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,192 - INFO - moving on ...
-2024-12-03 09:26:54,192 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 09:26:54,192 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 09:26:54,192 - INFO - problem_instance short name: V_0
-2024-12-03 09:26:54,192 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:26:54,192 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 09:26:54,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,193 - INFO - number of orbitals:  54
-2024-12-03 09:26:54,194 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,194 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,194 - INFO - moving on ...
-2024-12-03 09:26:54,194 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 09:26:54,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,195 - INFO - number of orbitals:  88
-2024-12-03 09:26:54,195 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,195 - INFO - moving on ...
-2024-12-03 09:26:54,195 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 09:26:54,195 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 09:26:54,195 - INFO - problem_instance short name: FeO_0
-2024-12-03 09:26:54,195 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:26:54,195 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 09:26:54,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,196 - INFO - number of orbitals:  76
-2024-12-03 09:26:54,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,196 - INFO - moving on ...
-2024-12-03 09:26:54,196 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 09:26:54,197 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 09:26:54,197 - INFO - problem_instance short name: na2_0
-2024-12-03 09:26:54,197 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:26:54,197 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 09:26:54,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,198 - INFO - number of orbitals:  36
-2024-12-03 09:26:54,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,198 - INFO - moving on ...
-2024-12-03 09:26:54,198 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 09:26:54,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,199 - INFO - number of orbitals:  118
-2024-12-03 09:26:54,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,199 - INFO - moving on ...
-2024-12-03 09:26:54,199 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 09:26:54,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,201 - INFO - number of orbitals:  68
-2024-12-03 09:26:54,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,201 - INFO - moving on ...
-2024-12-03 09:26:54,201 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 09:26:54,201 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 09:26:54,201 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 09:26:54,201 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:26:54,201 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 09:26:54,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,202 - INFO - number of orbitals:  69
-2024-12-03 09:26:54,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,202 - INFO - moving on ...
-2024-12-03 09:26:54,202 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 09:26:54,202 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 09:26:54,203 - INFO - problem_instance short name: s_o2_0
-2024-12-03 09:26:54,203 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:26:54,203 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 09:26:54,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,204 - INFO - number of orbitals:  46
-2024-12-03 09:26:54,204 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,204 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,204 - INFO - moving on ...
-2024-12-03 09:26:54,204 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 09:26:54,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,205 - INFO - number of orbitals:  94
-2024-12-03 09:26:54,205 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:26:54,205 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:26:54,205 - INFO - moving on ...
-2024-12-03 09:26:54,205 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 09:26:54,205 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 09:26:54,205 - INFO - problem_instance short name: c_s_0
-2024-12-03 09:26:54,205 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:26:54,205 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 09:26:54,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:26:54,207 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:26:54,207 - INFO - number of supporting files: 2
-2024-12-03 09:26:54,207 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-03 09:26:54,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-03 09:26:54,207 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-03 09:26:54,211 - INFO - number of entries in Hamiltonian_features.csv:  75
-2024-12-03 09:26:54,212 - INFO - did NOT find instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 in database.
-2024-12-03 09:26:54,212 - INFO - Processing instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 ...
-2024-12-03 09:26:54,212 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz...
-2024-12-03 09:26:54,256 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:26:54,793 - INFO - Authentication (publickey) successful!
-2024-12-03 09:26:54,816 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:26:55,335 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:26:55,335 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:26:55,335 - INFO - decompressing file fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz...
-2024-12-03 09:26:55,418 - INFO - this script has been running for 1.63 hours.
-2024-12-03 09:26:55,418 - INFO - ===============================================
-2024-12-03 09:26:55,418 - INFO - calculating Hamiltonian features...
-2024-12-03 09:26:55,419 - INFO - reading data from fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169
-2024-12-03 09:26:55,996 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:26:55,996 - INFO - data['NORB']: 32
-2024-12-03 09:26:55,996 - INFO - len(data['H1']): 32
-2024-12-03 09:26:55,996 - INFO - ao2mo.restore...
-2024-12-03 09:26:55,998 - INFO - done.
-2024-12-03 09:26:55,998 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:26:55,998 - INFO - done.
-2024-12-03 09:26:55,998 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:31:01,756 - INFO - done.
-2024-12-03 09:31:01,756 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:31:19,695 - INFO - done.
-2024-12-03 09:31:19,695 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:31:20,916 - INFO - done.
-2024-12-03 09:31:20,916 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:31:21,023 - INFO - done.
-2024-12-03 09:31:21,023 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:31:21,024 - INFO - done.
-2024-12-03 09:31:21,024 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:31:21,024 - INFO - done.
-2024-12-03 09:31:21,153 - INFO - Hamiltonian features calculation run time (seconds): 265.734457
-2024-12-03 09:31:21,154 - INFO - wrote df_eigs to file: df_eigs.1c5f7390-3d26-4730-addd-b0fbd7591169.bin
-2024-12-03 09:31:21,154 - INFO - deleting file fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-03 09:31:21,156 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:31:21,160 - INFO - this script has been running for 1.70 hours.
-2024-12-03 09:31:21,161 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-03 09:31:21,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-03 09:31:21,161 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:31:21,161 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 09:31:21,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,163 - INFO - number of orbitals:  64
-2024-12-03 09:31:21,164 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:31:21,164 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,164 - INFO - moving on ...
-2024-12-03 09:31:21,165 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 09:31:21,165 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 09:31:21,165 - INFO - problem_instance short name: p2_0
-2024-12-03 09:31:21,165 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:31:21,166 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 09:31:21,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,168 - INFO - number of orbitals:  36
-2024-12-03 09:31:21,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:31:21,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,168 - INFO - moving on ...
-2024-12-03 09:31:21,169 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 09:31:21,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,170 - INFO - number of orbitals:  118
-2024-12-03 09:31:21,171 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:31:21,171 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,171 - INFO - moving on ...
-2024-12-03 09:31:21,172 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 09:31:21,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,173 - INFO - number of orbitals:  68
-2024-12-03 09:31:21,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 09:31:21,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,174 - INFO - moving on ...
-2024-12-03 09:31:21,175 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 09:31:21,175 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 09:31:21,175 - INFO - problem_instance short name: Fe_0
-2024-12-03 09:31:21,176 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:31:21,176 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 09:31:21,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,178 - INFO - number of orbitals:  54
-2024-12-03 09:31:21,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,178 - INFO - moving on ...
-2024-12-03 09:31:21,179 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 09:31:21,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,180 - INFO - number of orbitals:  88
-2024-12-03 09:31:21,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,181 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,181 - INFO - moving on ...
-2024-12-03 09:31:21,181 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 09:31:21,182 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 09:31:21,182 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 09:31:21,182 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:31:21,182 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 09:31:21,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,183 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:31:21,183 - INFO - number of supporting files: 1
-2024-12-03 09:31:21,183 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-03 09:31:21,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-03 09:31:21,183 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-03 09:31:21,188 - INFO - number of entries in Hamiltonian_features.csv:  76
-2024-12-03 09:31:21,188 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-03 09:31:21,188 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 09:31:21,188 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 09:31:21,188 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 09:31:21,188 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:31:21,188 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 09:31:21,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,189 - INFO - number of orbitals:  58
-2024-12-03 09:31:21,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,189 - INFO - moving on ...
-2024-12-03 09:31:21,189 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 09:31:21,190 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 09:31:21,190 - INFO - problem_instance short name: Sc_0
-2024-12-03 09:31:21,190 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:31:21,190 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 09:31:21,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,191 - INFO - number of orbitals:  54
-2024-12-03 09:31:21,191 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,191 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,191 - INFO - moving on ...
-2024-12-03 09:31:21,191 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 09:31:21,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,192 - INFO - number of orbitals:  135
-2024-12-03 09:31:21,192 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,192 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,192 - INFO - moving on ...
-2024-12-03 09:31:21,192 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 09:31:21,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,193 - INFO - number of orbitals:  88
-2024-12-03 09:31:21,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,193 - INFO - moving on ...
-2024-12-03 09:31:21,193 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 09:31:21,194 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 09:31:21,194 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 09:31:21,194 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:31:21,194 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 09:31:21,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,195 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:31:21,195 - INFO - number of supporting files: 2
-2024-12-03 09:31:21,195 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-03 09:31:21,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-03 09:31:21,195 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-03 09:31:21,199 - INFO - number of entries in Hamiltonian_features.csv:  76
-2024-12-03 09:31:21,200 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-03 09:31:21,200 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-03 09:31:21,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-03 09:31:21,200 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:31:21,200 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 09:31:21,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,201 - INFO - number of orbitals:  119
-2024-12-03 09:31:21,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,201 - INFO - moving on ...
-2024-12-03 09:31:21,201 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 09:31:21,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,202 - INFO - number of orbitals:  62
-2024-12-03 09:31:21,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,202 - INFO - moving on ...
-2024-12-03 09:31:21,202 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 09:31:21,202 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 09:31:21,202 - INFO - problem_instance short name: h2_s_0
-2024-12-03 09:31:21,202 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:31:21,202 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 09:31:21,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,204 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:31:21,204 - INFO - number of supporting files: 2
-2024-12-03 09:31:21,204 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-03 09:31:21,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-03 09:31:21,204 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-03 09:31:21,208 - INFO - number of entries in Hamiltonian_features.csv:  76
-2024-12-03 09:31:21,209 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-03 09:31:21,209 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-03 09:31:21,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-03 09:31:21,209 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:31:21,209 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 09:31:21,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,210 - INFO - number of orbitals:  119
-2024-12-03 09:31:21,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,210 - INFO - moving on ...
-2024-12-03 09:31:21,210 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 09:31:21,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,212 - INFO - number of orbitals:  62
-2024-12-03 09:31:21,212 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,212 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,212 - INFO - moving on ...
-2024-12-03 09:31:21,212 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 09:31:21,212 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 09:31:21,212 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 09:31:21,212 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:31:21,212 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 09:31:21,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,213 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:31:21,213 - INFO - number of supporting files: 2
-2024-12-03 09:31:21,213 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-03 09:31:21,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-03 09:31:21,213 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-03 09:31:21,218 - INFO - number of entries in Hamiltonian_features.csv:  76
-2024-12-03 09:31:21,218 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-03 09:31:21,218 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-03 09:31:21,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-03 09:31:21,218 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:31:21,218 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 09:31:21,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,219 - INFO - number of orbitals:  74
-2024-12-03 09:31:21,219 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:31:21,219 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:31:21,219 - INFO - moving on ...
-2024-12-03 09:31:21,219 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 09:31:21,220 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 09:31:21,220 - INFO - problem_instance short name: na2_0
-2024-12-03 09:31:21,220 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:31:21,220 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 09:31:21,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:31:21,221 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:31:21,221 - INFO - number of supporting files: 2
-2024-12-03 09:31:21,221 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-03 09:31:21,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-03 09:31:21,221 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-03 09:31:21,225 - INFO - number of entries in Hamiltonian_features.csv:  76
-2024-12-03 09:31:21,226 - INFO - did NOT find instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 in database.
-2024-12-03 09:31:21,226 - INFO - Processing instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 ...
-2024-12-03 09:31:21,226 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz...
-2024-12-03 09:31:21,271 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:31:21,786 - INFO - Authentication (publickey) successful!
-2024-12-03 09:31:21,807 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:31:21,937 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:31:21,938 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:31:21,938 - INFO - decompressing file fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz...
-2024-12-03 09:31:22,010 - INFO - this script has been running for 1.70 hours.
-2024-12-03 09:31:22,010 - INFO - ===============================================
-2024-12-03 09:31:22,010 - INFO - calculating Hamiltonian features...
-2024-12-03 09:31:22,010 - INFO - reading data from fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557
-2024-12-03 09:31:22,451 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:31:22,452 - INFO - data['NORB']: 36
-2024-12-03 09:31:22,452 - INFO - len(data['H1']): 36
-2024-12-03 09:31:22,452 - INFO - ao2mo.restore...
-2024-12-03 09:31:22,454 - INFO - done.
-2024-12-03 09:31:22,455 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:31:22,455 - INFO - done.
-2024-12-03 09:31:22,455 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:34:14,982 - INFO - done.
-2024-12-03 09:34:14,983 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:34:22,392 - INFO - done.
-2024-12-03 09:34:22,392 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:34:22,909 - INFO - done.
-2024-12-03 09:34:22,910 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:34:23,062 - INFO - done.
-2024-12-03 09:34:23,062 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:34:23,063 - INFO - done.
-2024-12-03 09:34:23,063 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:34:23,064 - INFO - done.
-2024-12-03 09:34:23,143 - INFO - Hamiltonian features calculation run time (seconds): 181.132646
-2024-12-03 09:34:23,145 - INFO - wrote df_eigs to file: df_eigs.4ceb8edc-937e-4cb6-9e42-51b6760b2557.bin
-2024-12-03 09:34:23,145 - INFO - deleting file fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-03 09:34:23,147 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:34:23,152 - INFO - this script has been running for 1.75 hours.
-2024-12-03 09:34:23,153 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-03 09:34:23,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-03 09:34:23,154 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:34:23,154 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 09:34:23,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,157 - INFO - number of orbitals:  118
-2024-12-03 09:34:23,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,158 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,158 - INFO - moving on ...
-2024-12-03 09:34:23,158 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 09:34:23,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,161 - INFO - number of orbitals:  68
-2024-12-03 09:34:23,161 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,162 - INFO - moving on ...
-2024-12-03 09:34:23,162 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 09:34:23,163 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 09:34:23,163 - INFO - problem_instance short name: TiO_0
-2024-12-03 09:34:23,164 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:34:23,164 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 09:34:23,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,166 - INFO - number of orbitals:  76
-2024-12-03 09:34:23,167 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,167 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,168 - INFO - moving on ...
-2024-12-03 09:34:23,168 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 09:34:23,169 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 09:34:23,170 - INFO - problem_instance short name: c_o2_0
-2024-12-03 09:34:23,170 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:34:23,170 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 09:34:23,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,173 - INFO - number of orbitals:  42
-2024-12-03 09:34:23,173 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,174 - INFO - moving on ...
-2024-12-03 09:34:23,175 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 09:34:23,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,177 - INFO - number of orbitals:  90
-2024-12-03 09:34:23,177 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,178 - INFO - moving on ...
-2024-12-03 09:34:23,178 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 09:34:23,179 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 09:34:23,179 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 09:34:23,180 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:34:23,180 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 09:34:23,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,183 - INFO - number of orbitals:  47
-2024-12-03 09:34:23,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,184 - INFO - moving on ...
-2024-12-03 09:34:23,184 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 09:34:23,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,187 - INFO - number of orbitals:  106
-2024-12-03 09:34:23,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,188 - INFO - moving on ...
-2024-12-03 09:34:23,189 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 09:34:23,189 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 09:34:23,190 - INFO - problem_instance short name: Cu_1
-2024-12-03 09:34:23,190 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:34:23,191 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 09:34:23,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,193 - INFO - number of orbitals:  54
-2024-12-03 09:34:23,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,194 - INFO - moving on ...
-2024-12-03 09:34:23,194 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 09:34:23,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,195 - INFO - number of orbitals:  88
-2024-12-03 09:34:23,195 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,195 - INFO - moving on ...
-2024-12-03 09:34:23,195 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 09:34:23,195 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 09:34:23,195 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 09:34:23,195 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:34:23,195 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 09:34:23,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,196 - INFO - number of orbitals:  48
-2024-12-03 09:34:23,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,197 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,197 - INFO - moving on ...
-2024-12-03 09:34:23,197 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 09:34:23,197 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 09:34:23,197 - INFO - problem_instance short name: s_o2_0
-2024-12-03 09:34:23,197 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:34:23,197 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 09:34:23,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,198 - INFO - number of orbitals:  46
-2024-12-03 09:34:23,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,198 - INFO - moving on ...
-2024-12-03 09:34:23,198 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 09:34:23,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,199 - INFO - number of orbitals:  94
-2024-12-03 09:34:23,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:34:23,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:34:23,199 - INFO - moving on ...
-2024-12-03 09:34:23,199 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 09:34:23,199 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 09:34:23,199 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 09:34:23,199 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:34:23,200 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 09:34:23,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,201 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:34:23,201 - INFO - number of supporting files: 1
-2024-12-03 09:34:23,201 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 09:34:23,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 09:34:23,201 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 09:34:23,205 - INFO - number of entries in Hamiltonian_features.csv:  77
-2024-12-03 09:34:23,205 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 09:34:23,205 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 09:34:23,205 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 09:34:23,205 - INFO - problem_instance short name: si_h4_0
-2024-12-03 09:34:23,205 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:34:23,205 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 09:34:23,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:34:23,207 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:34:23,207 - INFO - number of supporting files: 2
-2024-12-03 09:34:23,207 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-03 09:34:23,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-03 09:34:23,207 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-03 09:34:23,211 - INFO - number of entries in Hamiltonian_features.csv:  77
-2024-12-03 09:34:23,211 - INFO - did NOT find instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e in database.
-2024-12-03 09:34:23,211 - INFO - Processing instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e ...
-2024-12-03 09:34:23,211 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz...
-2024-12-03 09:34:23,258 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:34:23,794 - INFO - Authentication (publickey) successful!
-2024-12-03 09:34:23,816 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:34:24,057 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:34:24,057 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:34:24,057 - INFO - decompressing file fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz...
-2024-12-03 09:34:24,223 - INFO - this script has been running for 1.75 hours.
-2024-12-03 09:34:24,223 - INFO - ===============================================
-2024-12-03 09:34:24,223 - INFO - calculating Hamiltonian features...
-2024-12-03 09:34:24,223 - INFO - reading data from fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e
-2024-12-03 09:34:25,371 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:34:25,371 - INFO - data['NORB']: 38
-2024-12-03 09:34:25,371 - INFO - len(data['H1']): 38
-2024-12-03 09:34:25,371 - INFO - ao2mo.restore...
-2024-12-03 09:34:25,374 - INFO - done.
-2024-12-03 09:34:25,375 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:34:25,375 - INFO - done.
-2024-12-03 09:34:25,375 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:42:03,914 - INFO - done.
-2024-12-03 09:42:03,914 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:42:42,894 - INFO - done.
-2024-12-03 09:42:42,895 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:42:46,076 - INFO - done.
-2024-12-03 09:42:46,077 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:42:46,298 - INFO - done.
-2024-12-03 09:42:46,298 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:42:46,299 - INFO - done.
-2024-12-03 09:42:46,299 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:42:46,299 - INFO - done.
-2024-12-03 09:42:46,558 - INFO - Hamiltonian features calculation run time (seconds): 502.334753
-2024-12-03 09:42:46,559 - INFO - wrote df_eigs to file: df_eigs.c37edb04-5163-4d5c-a54e-df5887f0d82e.bin
-2024-12-03 09:42:46,560 - INFO - deleting file fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-03 09:42:46,563 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:42:46,568 - INFO - this script has been running for 1.89 hours.
-2024-12-03 09:42:46,568 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-03 09:42:46,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-03 09:42:46,569 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:42:46,569 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 09:42:46,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,571 - INFO - number of orbitals:  90
-2024-12-03 09:42:46,571 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,572 - INFO - moving on ...
-2024-12-03 09:42:46,572 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 09:42:46,573 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 09:42:46,573 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 09:42:46,573 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,573 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 09:42:46,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,575 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,576 - INFO - number of supporting files: 1
-2024-12-03 09:42:46,576 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-03 09:42:46,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-03 09:42:46,577 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-03 09:42:46,581 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,582 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-03 09:42:46,582 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 09:42:46,583 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 09:42:46,583 - INFO - problem_instance short name: Fe_1
-2024-12-03 09:42:46,583 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,584 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 09:42:46,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,586 - INFO - number of orbitals:  54
-2024-12-03 09:42:46,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,586 - INFO - moving on ...
-2024-12-03 09:42:46,587 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 09:42:46,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,589 - INFO - number of orbitals:  88
-2024-12-03 09:42:46,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,590 - INFO - moving on ...
-2024-12-03 09:42:46,590 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 09:42:46,590 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 09:42:46,591 - INFO - problem_instance short name: mo2_n2
-2024-12-03 09:42:46,591 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,591 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 09:42:46,592 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,592 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,592 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,595 - INFO - number of orbitals:  69
-2024-12-03 09:42:46,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,596 - INFO - moving on ...
-2024-12-03 09:42:46,596 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 09:42:46,596 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,596 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,597 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,599 - INFO - number of orbitals:  70
-2024-12-03 09:42:46,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,600 - INFO - moving on ...
-2024-12-03 09:42:46,600 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 09:42:46,601 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,601 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,601 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,604 - INFO - number of orbitals:  69
-2024-12-03 09:42:46,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,604 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,605 - INFO - moving on ...
-2024-12-03 09:42:46,605 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 09:42:46,605 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 09:42:46,606 - INFO - problem_instance short name: Ti_0
-2024-12-03 09:42:46,606 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,606 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 09:42:46,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,608 - INFO - number of orbitals:  54
-2024-12-03 09:42:46,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,609 - INFO - moving on ...
-2024-12-03 09:42:46,609 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 09:42:46,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,611 - INFO - number of orbitals:  88
-2024-12-03 09:42:46,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,611 - INFO - moving on ...
-2024-12-03 09:42:46,611 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 09:42:46,611 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 09:42:46,611 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 09:42:46,611 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,611 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 09:42:46,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,613 - INFO - number of orbitals:  69
-2024-12-03 09:42:46,613 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,613 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,613 - INFO - moving on ...
-2024-12-03 09:42:46,613 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 09:42:46,613 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 09:42:46,613 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 09:42:46,613 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,613 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 09:42:46,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,614 - INFO - number of orbitals:  52
-2024-12-03 09:42:46,614 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,614 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,614 - INFO - moving on ...
-2024-12-03 09:42:46,615 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 09:42:46,615 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 09:42:46,615 - INFO - problem_instance short name: ScO_0
-2024-12-03 09:42:46,615 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,615 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 09:42:46,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,616 - INFO - number of orbitals:  76
-2024-12-03 09:42:46,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,616 - INFO - moving on ...
-2024-12-03 09:42:46,616 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 09:42:46,616 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 09:42:46,616 - INFO - problem_instance short name: fe_red
-2024-12-03 09:42:46,617 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,617 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 09:42:46,617 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,618 - INFO - number of orbitals:  45
-2024-12-03 09:42:46,619 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,619 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,619 - INFO - moving on ...
-2024-12-03 09:42:46,619 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 09:42:46,619 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,619 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,619 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,620 - INFO - number of orbitals:  53
-2024-12-03 09:42:46,620 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,620 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,621 - INFO - moving on ...
-2024-12-03 09:42:46,621 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 09:42:46,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,621 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,621 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,622 - INFO - number of orbitals:  58
-2024-12-03 09:42:46,622 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,622 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,622 - INFO - moving on ...
-2024-12-03 09:42:46,622 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 09:42:46,622 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,623 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,623 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,624 - INFO - number of orbitals:  44
-2024-12-03 09:42:46,624 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,624 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,624 - INFO - moving on ...
-2024-12-03 09:42:46,624 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 09:42:46,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,626 - INFO - number of orbitals:  54
-2024-12-03 09:42:46,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,626 - INFO - moving on ...
-2024-12-03 09:42:46,626 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 09:42:46,626 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,626 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,626 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,628 - INFO - number of orbitals:  55
-2024-12-03 09:42:46,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,628 - INFO - moving on ...
-2024-12-03 09:42:46,628 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 09:42:46,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,630 - INFO - number of orbitals:  44
-2024-12-03 09:42:46,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,630 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,630 - INFO - moving on ...
-2024-12-03 09:42:46,630 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 09:42:46,630 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,630 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,632 - INFO - number of orbitals:  54
-2024-12-03 09:42:46,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,632 - INFO - moving on ...
-2024-12-03 09:42:46,632 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 09:42:46,632 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,634 - INFO - number of orbitals:  55
-2024-12-03 09:42:46,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,634 - INFO - moving on ...
-2024-12-03 09:42:46,634 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 09:42:46,634 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 09:42:46,634 - INFO - problem_instance short name: ru_macho
-2024-12-03 09:42:46,634 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,634 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 09:42:46,634 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,634 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,634 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,636 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,636 - INFO - number of supporting files: 1
-2024-12-03 09:42:46,636 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 09:42:46,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 09:42:46,636 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 09:42:46,640 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,641 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 09:42:46,641 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 09:42:46,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,643 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,643 - INFO - number of supporting files: 1
-2024-12-03 09:42:46,643 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 09:42:46,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 09:42:46,643 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 09:42:46,647 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,648 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 09:42:46,648 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 09:42:46,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,650 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,650 - INFO - number of supporting files: 1
-2024-12-03 09:42:46,650 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 09:42:46,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 09:42:46,650 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 09:42:46,654 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,655 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 09:42:46,655 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 09:42:46,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,657 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,657 - INFO - number of supporting files: 1
-2024-12-03 09:42:46,657 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 09:42:46,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 09:42:46,657 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 09:42:46,661 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,662 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 09:42:46,662 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 09:42:46,662 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,662 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,662 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,664 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,664 - INFO - number of supporting files: 1
-2024-12-03 09:42:46,664 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-03 09:42:46,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-03 09:42:46,664 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-03 09:42:46,668 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,669 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-03 09:42:46,669 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 09:42:46,669 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,669 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,669 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,671 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,671 - INFO - number of supporting files: 1
-2024-12-03 09:42:46,671 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 09:42:46,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 09:42:46,671 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 09:42:46,675 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,675 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 09:42:46,676 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 09:42:46,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,677 - INFO - number of orbitals:  45
-2024-12-03 09:42:46,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,678 - INFO - moving on ...
-2024-12-03 09:42:46,678 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 09:42:46,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,678 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,679 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,680 - INFO - number of supporting files: 1
-2024-12-03 09:42:46,680 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 09:42:46,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 09:42:46,680 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 09:42:46,684 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,684 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 09:42:46,684 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 09:42:46,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:42:46,685 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:42:46,685 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:42:46,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,686 - INFO - number of orbitals:  42
-2024-12-03 09:42:46,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,686 - INFO - moving on ...
-2024-12-03 09:42:46,686 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 09:42:46,687 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 09:42:46,687 - INFO - problem_instance short name: h2_o_0
-2024-12-03 09:42:46,687 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,687 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 09:42:46,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,688 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,688 - INFO - number of supporting files: 2
-2024-12-03 09:42:46,688 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 09:42:46,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 09:42:46,688 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 09:42:46,692 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,693 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 09:42:46,693 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 09:42:46,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 09:42:46,693 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:42:46,693 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 09:42:46,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,694 - INFO - number of orbitals:  115
-2024-12-03 09:42:46,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,694 - INFO - moving on ...
-2024-12-03 09:42:46,694 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 09:42:46,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,696 - INFO - number of orbitals:  58
-2024-12-03 09:42:46,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,696 - INFO - moving on ...
-2024-12-03 09:42:46,696 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 09:42:46,696 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 09:42:46,696 - INFO - problem_instance short name: Mn_1
-2024-12-03 09:42:46,696 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,696 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 09:42:46,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,697 - INFO - number of orbitals:  54
-2024-12-03 09:42:46,697 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,697 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,697 - INFO - moving on ...
-2024-12-03 09:42:46,697 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 09:42:46,698 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,698 - INFO - number of orbitals:  88
-2024-12-03 09:42:46,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,699 - INFO - moving on ...
-2024-12-03 09:42:46,699 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 09:42:46,699 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 09:42:46,699 - INFO - problem_instance short name: Cr_1
-2024-12-03 09:42:46,699 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,699 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 09:42:46,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,700 - INFO - number of orbitals:  54
-2024-12-03 09:42:46,700 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,700 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,700 - INFO - moving on ...
-2024-12-03 09:42:46,700 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 09:42:46,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,701 - INFO - number of orbitals:  135
-2024-12-03 09:42:46,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,701 - INFO - moving on ...
-2024-12-03 09:42:46,701 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 09:42:46,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,703 - INFO - number of orbitals:  88
-2024-12-03 09:42:46,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:42:46,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:42:46,703 - INFO - moving on ...
-2024-12-03 09:42:46,703 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 09:42:46,703 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 09:42:46,703 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 09:42:46,703 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:42:46,703 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 09:42:46,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:42:46,704 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:42:46,704 - INFO - number of supporting files: 2
-2024-12-03 09:42:46,704 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-03 09:42:46,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-03 09:42:46,704 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-03 09:42:46,709 - INFO - number of entries in Hamiltonian_features.csv:  78
-2024-12-03 09:42:46,709 - INFO - did NOT find instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f in database.
-2024-12-03 09:42:46,709 - INFO - Processing instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f ...
-2024-12-03 09:42:46,709 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz...
-2024-12-03 09:42:46,752 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:42:47,304 - INFO - Authentication (publickey) successful!
-2024-12-03 09:42:47,319 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:42:47,514 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:42:47,515 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:42:47,516 - INFO - decompressing file fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz...
-2024-12-03 09:42:47,594 - INFO - this script has been running for 1.89 hours.
-2024-12-03 09:42:47,594 - INFO - ===============================================
-2024-12-03 09:42:47,595 - INFO - calculating Hamiltonian features...
-2024-12-03 09:42:47,595 - INFO - reading data from fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f
-2024-12-03 09:42:48,001 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:42:48,001 - INFO - data['NORB']: 38
-2024-12-03 09:42:48,002 - INFO - len(data['H1']): 38
-2024-12-03 09:42:48,002 - INFO - ao2mo.restore...
-2024-12-03 09:42:48,005 - INFO - done.
-2024-12-03 09:42:48,006 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:42:48,006 - INFO - done.
-2024-12-03 09:42:48,006 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:45:16,097 - INFO - done.
-2024-12-03 09:45:16,097 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:45:22,134 - INFO - done.
-2024-12-03 09:45:22,134 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:45:22,537 - INFO - done.
-2024-12-03 09:45:22,537 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:45:22,767 - INFO - done.
-2024-12-03 09:45:22,768 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:45:22,769 - INFO - done.
-2024-12-03 09:45:22,769 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:45:22,770 - INFO - done.
-2024-12-03 09:45:22,877 - INFO - Hamiltonian features calculation run time (seconds): 155.281592
-2024-12-03 09:45:22,879 - INFO - wrote df_eigs to file: df_eigs.5b507b3d-b6fc-4e13-9586-06113819d99f.bin
-2024-12-03 09:45:22,879 - INFO - deleting file fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-03 09:45:22,882 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:45:22,890 - INFO - this script has been running for 1.93 hours.
-2024-12-03 09:45:22,890 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-03 09:45:22,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-03 09:45:22,891 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:45:22,892 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 09:45:22,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:45:22,895 - INFO - number of orbitals:  88
-2024-12-03 09:45:22,896 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:45:22,896 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:45:22,897 - INFO - moving on ...
-2024-12-03 09:45:22,897 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 09:45:22,898 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 09:45:22,899 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 09:45:22,899 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:45:22,899 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 09:45:22,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:45:22,903 - INFO - number of orbitals:  70
-2024-12-03 09:45:22,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:45:22,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:45:22,905 - INFO - moving on ...
-2024-12-03 09:45:22,905 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 09:45:22,906 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 09:45:22,906 - INFO - problem_instance short name: p2_0
-2024-12-03 09:45:22,907 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:45:22,907 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 09:45:22,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:45:22,910 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:45:22,910 - INFO - number of supporting files: 2
-2024-12-03 09:45:22,911 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-03 09:45:22,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-03 09:45:22,912 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-03 09:45:22,918 - INFO - number of entries in Hamiltonian_features.csv:  79
-2024-12-03 09:45:22,919 - INFO - did NOT find instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a in database.
-2024-12-03 09:45:22,919 - INFO - Processing instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a ...
-2024-12-03 09:45:22,920 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz...
-2024-12-03 09:45:22,969 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:45:23,522 - INFO - Authentication (publickey) successful!
-2024-12-03 09:45:23,548 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:45:23,781 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:45:23,782 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:45:23,782 - INFO - decompressing file fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz...
-2024-12-03 09:45:23,891 - INFO - this script has been running for 1.93 hours.
-2024-12-03 09:45:23,891 - INFO - ===============================================
-2024-12-03 09:45:23,891 - INFO - calculating Hamiltonian features...
-2024-12-03 09:45:23,892 - INFO - reading data from fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a
-2024-12-03 09:45:24,601 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:45:24,602 - INFO - data['NORB']: 36
-2024-12-03 09:45:24,602 - INFO - len(data['H1']): 36
-2024-12-03 09:45:24,602 - INFO - ao2mo.restore...
-2024-12-03 09:45:24,605 - INFO - done.
-2024-12-03 09:45:24,605 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:45:24,605 - INFO - done.
-2024-12-03 09:45:24,606 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 09:49:58,414 - INFO - done.
-2024-12-03 09:49:58,415 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 09:50:11,193 - INFO - done.
-2024-12-03 09:50:11,194 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 09:50:12,097 - INFO - done.
-2024-12-03 09:50:12,098 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 09:50:14,781 - INFO - done.
-2024-12-03 09:50:14,782 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 09:50:14,783 - INFO - done.
-2024-12-03 09:50:14,783 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 09:50:14,784 - INFO - done.
-2024-12-03 09:50:14,960 - INFO - Hamiltonian features calculation run time (seconds): 291.068499
-2024-12-03 09:50:14,962 - INFO - wrote df_eigs to file: df_eigs.7702bafa-2620-4d12-8ec6-e8c6246d385a.bin
-2024-12-03 09:50:14,963 - INFO - deleting file fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-03 09:50:14,966 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 09:50:14,971 - INFO - this script has been running for 2.01 hours.
-2024-12-03 09:50:14,971 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-03 09:50:14,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-03 09:50:14,972 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:50:14,973 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 09:50:14,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:14,976 - INFO - number of orbitals:  118
-2024-12-03 09:50:14,977 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:14,977 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:14,978 - INFO - moving on ...
-2024-12-03 09:50:14,978 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 09:50:14,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:14,981 - INFO - number of orbitals:  68
-2024-12-03 09:50:14,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:14,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:14,983 - INFO - moving on ...
-2024-12-03 09:50:14,983 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 09:50:14,984 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 09:50:14,985 - INFO - problem_instance short name: cl2_0
-2024-12-03 09:50:14,986 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:50:14,986 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 09:50:14,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:14,989 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:14,990 - INFO - number of supporting files: 2
-2024-12-03 09:50:14,991 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-03 09:50:14,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-03 09:50:14,992 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-03 09:50:14,998 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:14,999 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-03 09:50:14,999 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-03 09:50:15,000 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-03 09:50:15,001 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:50:15,001 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 09:50:15,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,004 - INFO - number of orbitals:  118
-2024-12-03 09:50:15,005 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,006 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,006 - INFO - moving on ...
-2024-12-03 09:50:15,006 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 09:50:15,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,007 - INFO - number of orbitals:  68
-2024-12-03 09:50:15,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,007 - INFO - moving on ...
-2024-12-03 09:50:15,007 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 09:50:15,007 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 09:50:15,007 - INFO - problem_instance short name: Ti_1
-2024-12-03 09:50:15,007 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:50:15,008 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 09:50:15,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,009 - INFO - number of orbitals:  54
-2024-12-03 09:50:15,009 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,009 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,009 - INFO - moving on ...
-2024-12-03 09:50:15,009 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 09:50:15,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,012 - INFO - number of orbitals:  88
-2024-12-03 09:50:15,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,012 - INFO - moving on ...
-2024-12-03 09:50:15,012 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 09:50:15,013 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 09:50:15,013 - INFO - problem_instance short name: be_0
-2024-12-03 09:50:15,013 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:50:15,013 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 09:50:15,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,016 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,016 - INFO - number of supporting files: 2
-2024-12-03 09:50:15,016 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 09:50:15,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 09:50:15,016 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 09:50:15,022 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,022 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,022 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 09:50:15,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 09:50:15,022 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:50:15,022 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 09:50:15,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,023 - INFO - number of orbitals:  55
-2024-12-03 09:50:15,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,023 - INFO - moving on ...
-2024-12-03 09:50:15,023 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 09:50:15,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,025 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,025 - INFO - number of supporting files: 2
-2024-12-03 09:50:15,025 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-03 09:50:15,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-03 09:50:15,025 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-03 09:50:15,030 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,030 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,030 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-03 09:50:15,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-03 09:50:15,031 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:50:15,031 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 09:50:15,031 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 09:50:15,032 - INFO - problem_instance short name: mo_n2
-2024-12-03 09:50:15,032 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 09:50:15,032 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 09:50:15,032 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,032 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,032 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,034 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,035 - INFO - number of supporting files: 1
-2024-12-03 09:50:15,035 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-03 09:50:15,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-03 09:50:15,035 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-03 09:50:15,040 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,040 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,041 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 09:50:15,041 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,041 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,041 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,043 - INFO - number of orbitals:  46
-2024-12-03 09:50:15,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,044 - INFO - moving on ...
-2024-12-03 09:50:15,044 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 09:50:15,044 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,044 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,046 - INFO - number of orbitals:  46
-2024-12-03 09:50:15,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,047 - INFO - moving on ...
-2024-12-03 09:50:15,047 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 09:50:15,047 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,047 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,048 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,050 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,050 - INFO - number of supporting files: 1
-2024-12-03 09:50:15,050 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-03 09:50:15,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-03 09:50:15,050 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-03 09:50:15,056 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,056 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,056 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 09:50:15,057 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 09:50:15,057 - INFO - problem_instance short name: VO_0
-2024-12-03 09:50:15,057 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 09:50:15,057 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 09:50:15,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,059 - INFO - number of orbitals:  76
-2024-12-03 09:50:15,059 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,059 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,059 - INFO - moving on ...
-2024-12-03 09:50:15,059 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 09:50:15,060 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 09:50:15,060 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 09:50:15,060 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 09:50:15,060 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 09:50:15,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,062 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,062 - INFO - number of supporting files: 2
-2024-12-03 09:50:15,062 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 09:50:15,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 09:50:15,062 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 09:50:15,067 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,067 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,068 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 09:50:15,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 09:50:15,068 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 09:50:15,068 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 09:50:15,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,070 - INFO - number of orbitals:  115
-2024-12-03 09:50:15,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,070 - INFO - moving on ...
-2024-12-03 09:50:15,070 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 09:50:15,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,072 - INFO - number of orbitals:  58
-2024-12-03 09:50:15,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,072 - INFO - moving on ...
-2024-12-03 09:50:15,072 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 09:50:15,072 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 09:50:15,073 - INFO - problem_instance short name: benzene
-2024-12-03 09:50:15,073 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 09:50:15,073 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 09:50:15,073 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,073 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,073 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,075 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,076 - INFO - number of supporting files: 1
-2024-12-03 09:50:15,076 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-03 09:50:15,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-03 09:50:15,076 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-03 09:50:15,081 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,081 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,081 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 09:50:15,082 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,082 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,082 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,084 - INFO - number of orbitals:  108
-2024-12-03 09:50:15,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,085 - INFO - moving on ...
-2024-12-03 09:50:15,085 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 09:50:15,086 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 09:50:15,086 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 09:50:15,086 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 09:50:15,086 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 09:50:15,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,087 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,089 - INFO - number of orbitals:  55
-2024-12-03 09:50:15,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,089 - INFO - moving on ...
-2024-12-03 09:50:15,089 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 09:50:15,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,090 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,090 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,092 - INFO - number of orbitals:  70
-2024-12-03 09:50:15,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,092 - INFO - moving on ...
-2024-12-03 09:50:15,092 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 09:50:15,092 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,093 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,093 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,095 - INFO - number of orbitals:  55
-2024-12-03 09:50:15,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,095 - INFO - moving on ...
-2024-12-03 09:50:15,096 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 09:50:15,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,098 - INFO - number of orbitals:  69
-2024-12-03 09:50:15,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,098 - INFO - moving on ...
-2024-12-03 09:50:15,099 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 09:50:15,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,101 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,101 - INFO - number of supporting files: 1
-2024-12-03 09:50:15,101 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-03 09:50:15,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-03 09:50:15,102 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-03 09:50:15,107 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,107 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,107 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 09:50:15,107 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,108 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,108 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,110 - INFO - number of orbitals:  45
-2024-12-03 09:50:15,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,110 - INFO - moving on ...
-2024-12-03 09:50:15,110 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 09:50:15,111 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,111 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,111 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,113 - INFO - number of orbitals:  55
-2024-12-03 09:50:15,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,113 - INFO - moving on ...
-2024-12-03 09:50:15,114 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 09:50:15,114 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,114 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,114 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,116 - INFO - number of orbitals:  69
-2024-12-03 09:50:15,116 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,116 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,116 - INFO - moving on ...
-2024-12-03 09:50:15,117 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 09:50:15,117 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,117 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,117 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,119 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,119 - INFO - number of supporting files: 1
-2024-12-03 09:50:15,119 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-03 09:50:15,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-03 09:50:15,119 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-03 09:50:15,124 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,124 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,124 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 09:50:15,125 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,125 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,125 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,127 - INFO - number of orbitals:  45
-2024-12-03 09:50:15,127 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,127 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,127 - INFO - moving on ...
-2024-12-03 09:50:15,127 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 09:50:15,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,128 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,128 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,130 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,130 - INFO - number of supporting files: 1
-2024-12-03 09:50:15,130 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-03 09:50:15,130 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-03 09:50:15,130 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-03 09:50:15,135 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,135 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,136 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 09:50:15,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,138 - INFO - number of orbitals:  45
-2024-12-03 09:50:15,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,138 - INFO - moving on ...
-2024-12-03 09:50:15,139 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 09:50:15,139 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,139 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,139 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,141 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,141 - INFO - number of supporting files: 1
-2024-12-03 09:50:15,141 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-03 09:50:15,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-03 09:50:15,141 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-03 09:50:15,146 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,146 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,147 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 09:50:15,147 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,147 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,147 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,149 - INFO - number of orbitals:  45
-2024-12-03 09:50:15,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 09:50:15,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 09:50:15,150 - INFO - moving on ...
-2024-12-03 09:50:15,150 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 09:50:15,150 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,150 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,150 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,152 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,152 - INFO - number of supporting files: 1
-2024-12-03 09:50:15,152 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 09:50:15,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 09:50:15,153 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 09:50:15,157 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,158 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 09:50:15,158 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 09:50:15,158 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 09:50:15,158 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 09:50:15,158 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 09:50:15,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 09:50:15,160 - INFO - attempting to process the Hamiltonian...
-2024-12-03 09:50:15,160 - INFO - number of supporting files: 1
-2024-12-03 09:50:15,161 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-03 09:50:15,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-03 09:50:15,161 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-03 09:50:15,165 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 09:50:15,166 - INFO - did NOT find instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 in database.
-2024-12-03 09:50:15,166 - INFO - Processing instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 ...
-2024-12-03 09:50:15,166 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz...
-2024-12-03 09:50:15,209 - INFO - Connected (version 2.0, client 0)
-2024-12-03 09:50:15,745 - INFO - Authentication (publickey) successful!
-2024-12-03 09:50:15,761 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 09:50:15,908 - INFO - [chan 0] sftp session closed.
-2024-12-03 09:50:15,909 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 09:50:15,909 - INFO - decompressing file fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz...
-2024-12-03 09:50:16,018 - INFO - this script has been running for 2.01 hours.
-2024-12-03 09:50:16,018 - INFO - ===============================================
-2024-12-03 09:50:16,018 - INFO - calculating Hamiltonian features...
-2024-12-03 09:50:16,018 - INFO - reading data from fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429
-2024-12-03 09:50:16,682 - INFO - finished reading FCIDUMP data.
-2024-12-03 09:50:16,683 - INFO - data['NORB']: 39
-2024-12-03 09:50:16,683 - INFO - len(data['H1']): 39
-2024-12-03 09:50:16,684 - INFO - ao2mo.restore...
-2024-12-03 09:50:16,688 - INFO - done.
-2024-12-03 09:50:16,688 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 09:50:16,688 - INFO - done.
-2024-12-03 09:50:16,689 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 10:02:03,074 - INFO - ===============================================
-2024-12-03 10:02:03,075 - INFO - overall start time: 2024-12-03 10:02:03.074634
-2024-12-03 10:02:03,076 - INFO - input directory: ../problem_instances/
-2024-12-03 10:02:03,076 - INFO - Hamiltonian features file: Hamiltonian_features.csv
-2024-12-03 10:02:03,076 - INFO - creating back up file Hamiltonian_features.csv.backup-2024-12-03-10-02.csv.
-2024-12-03 10:02:03,085 - INFO - parsing 82 files in the input directory
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 10:02:03,085 - INFO - file: problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 10:02:03,086 - INFO - file: problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 10:02:03,087 - INFO - file: problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 10:02:03,095 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 10:02:03,096 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 10:02:03,096 - INFO - problem_instance short name: n_h3_0
-2024-12-03 10:02:03,096 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,096 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 10:02:03,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,102 - INFO - number of orbitals:  29
-2024-12-03 10:02:03,103 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,103 - INFO - moving on ...
-2024-12-03 10:02:03,103 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 10:02:03,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,104 - INFO - number of orbitals:  72
-2024-12-03 10:02:03,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,105 - INFO - moving on ...
-2024-12-03 10:02:03,105 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 10:02:03,105 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 10:02:03,105 - INFO - problem_instance short name: O_1
-2024-12-03 10:02:03,106 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,106 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 10:02:03,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,107 - INFO - number of orbitals:  22
-2024-12-03 10:02:03,107 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,107 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,107 - INFO - moving on ...
-2024-12-03 10:02:03,107 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 10:02:03,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,108 - INFO - number of orbitals:  79
-2024-12-03 10:02:03,109 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,109 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,109 - INFO - moving on ...
-2024-12-03 10:02:03,109 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 10:02:03,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,110 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,110 - INFO - moving on ...
-2024-12-03 10:02:03,110 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 10:02:03,112 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 10:02:03,112 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 10:02:03,112 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,112 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 10:02:03,112 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,112 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,112 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,119 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,119 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,119 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,119 - INFO - moving on ...
-2024-12-03 10:02:03,119 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 10:02:03,119 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,119 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,119 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,122 - INFO - number of orbitals:  70
-2024-12-03 10:02:03,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,122 - INFO - moving on ...
-2024-12-03 10:02:03,122 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 10:02:03,122 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,122 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,122 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,124 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,124 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,124 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,124 - INFO - moving on ...
-2024-12-03 10:02:03,124 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 10:02:03,124 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,124 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,124 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,126 - INFO - number of orbitals:  69
-2024-12-03 10:02:03,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,127 - INFO - moving on ...
-2024-12-03 10:02:03,127 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 10:02:03,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,129 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,129 - INFO - moving on ...
-2024-12-03 10:02:03,129 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 10:02:03,129 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,129 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,129 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,131 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,132 - INFO - moving on ...
-2024-12-03 10:02:03,132 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 10:02:03,132 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,132 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,132 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,134 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,134 - INFO - moving on ...
-2024-12-03 10:02:03,134 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 10:02:03,134 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,134 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,134 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,136 - INFO - number of orbitals:  69
-2024-12-03 10:02:03,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,136 - INFO - moving on ...
-2024-12-03 10:02:03,136 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 10:02:03,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,138 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,138 - INFO - moving on ...
-2024-12-03 10:02:03,138 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 10:02:03,138 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,138 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,138 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,140 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,140 - INFO - moving on ...
-2024-12-03 10:02:03,140 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 10:02:03,140 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,140 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,140 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,143 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,143 - INFO - moving on ...
-2024-12-03 10:02:03,143 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 10:02:03,143 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,143 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,143 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,145 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,145 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,145 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,145 - INFO - moving on ...
-2024-12-03 10:02:03,145 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 10:02:03,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,147 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,147 - INFO - moving on ...
-2024-12-03 10:02:03,147 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 10:02:03,147 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,147 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,147 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,149 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,149 - INFO - moving on ...
-2024-12-03 10:02:03,149 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 10:02:03,149 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,150 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,150 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,151 - INFO - number of orbitals:  25
-2024-12-03 10:02:03,151 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,151 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,151 - INFO - moving on ...
-2024-12-03 10:02:03,151 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 10:02:03,151 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,152 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,152 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,153 - INFO - number of orbitals:  39
-2024-12-03 10:02:03,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,153 - INFO - moving on ...
-2024-12-03 10:02:03,153 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 10:02:03,154 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 10:02:03,154 - INFO - problem_instance short name: ozone
-2024-12-03 10:02:03,154 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,154 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 10:02:03,154 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,155 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,155 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,156 - INFO - number of orbitals:  42
-2024-12-03 10:02:03,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,156 - INFO - moving on ...
-2024-12-03 10:02:03,156 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 10:02:03,156 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,157 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,157 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,158 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,158 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,158 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 10:02:03,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 10:02:03,158 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 10:02:03,171 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,172 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,172 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 10:02:03,172 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,172 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,172 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,174 - INFO - number of orbitals:  90
-2024-12-03 10:02:03,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,174 - INFO - moving on ...
-2024-12-03 10:02:03,174 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 10:02:03,174 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,174 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,174 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,176 - INFO - number of orbitals:  42
-2024-12-03 10:02:03,176 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,176 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,176 - INFO - moving on ...
-2024-12-03 10:02:03,177 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 10:02:03,177 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,177 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,177 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,179 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,179 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,179 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 10:02:03,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 10:02:03,179 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 10:02:03,185 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,185 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,185 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 10:02:03,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,188 - INFO - number of orbitals:  90
-2024-12-03 10:02:03,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,188 - INFO - moving on ...
-2024-12-03 10:02:03,188 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 10:02:03,188 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 10:02:03,188 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 10:02:03,189 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,189 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 10:02:03,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,190 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,190 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,190 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 10:02:03,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 10:02:03,190 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 10:02:03,196 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,197 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,197 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 10:02:03,197 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 10:02:03,197 - INFO - problem_instance short name: na2_0
-2024-12-03 10:02:03,198 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,198 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 10:02:03,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,199 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,199 - INFO - moving on ...
-2024-12-03 10:02:03,199 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 10:02:03,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,200 - INFO - number of orbitals:  118
-2024-12-03 10:02:03,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,200 - INFO - moving on ...
-2024-12-03 10:02:03,200 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 10:02:03,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,202 - INFO - number of orbitals:  68
-2024-12-03 10:02:03,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,202 - INFO - moving on ...
-2024-12-03 10:02:03,202 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 10:02:03,203 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 10:02:03,203 - INFO - problem_instance short name: O_0
-2024-12-03 10:02:03,203 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,203 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 10:02:03,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,204 - INFO - number of orbitals:  22
-2024-12-03 10:02:03,204 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,204 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,204 - INFO - moving on ...
-2024-12-03 10:02:03,204 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 10:02:03,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,205 - INFO - number of orbitals:  79
-2024-12-03 10:02:03,205 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,205 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,205 - INFO - moving on ...
-2024-12-03 10:02:03,205 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 10:02:03,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,207 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,207 - INFO - moving on ...
-2024-12-03 10:02:03,207 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 10:02:03,208 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 10:02:03,208 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 10:02:03,208 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,208 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 10:02:03,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,209 - INFO - number of orbitals:  58
-2024-12-03 10:02:03,209 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,209 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,209 - INFO - moving on ...
-2024-12-03 10:02:03,209 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 10:02:03,210 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 10:02:03,210 - INFO - problem_instance short name: li_h_0
-2024-12-03 10:02:03,210 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,210 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 10:02:03,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,212 - INFO - number of orbitals:  19
-2024-12-03 10:02:03,212 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,212 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,212 - INFO - moving on ...
-2024-12-03 10:02:03,212 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 10:02:03,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,213 - INFO - number of orbitals:  85
-2024-12-03 10:02:03,213 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,213 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,213 - INFO - moving on ...
-2024-12-03 10:02:03,213 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 10:02:03,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,214 - INFO - number of orbitals:  44
-2024-12-03 10:02:03,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,214 - INFO - moving on ...
-2024-12-03 10:02:03,214 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 10:02:03,215 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 10:02:03,215 - INFO - problem_instance short name: be_0
-2024-12-03 10:02:03,215 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,215 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 10:02:03,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,217 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,217 - INFO - number of supporting files: 2
-2024-12-03 10:02:03,217 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 10:02:03,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 10:02:03,217 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 10:02:03,222 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,223 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,223 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 10:02:03,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 10:02:03,223 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:03,223 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 10:02:03,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,224 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,224 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,224 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,225 - INFO - moving on ...
-2024-12-03 10:02:03,225 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 10:02:03,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,226 - INFO - number of orbitals:  30
-2024-12-03 10:02:03,226 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,226 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,226 - INFO - moving on ...
-2024-12-03 10:02:03,226 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 10:02:03,227 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 10:02:03,227 - INFO - problem_instance short name: Cr_1
-2024-12-03 10:02:03,227 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,227 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 10:02:03,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,228 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,228 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,228 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,228 - INFO - moving on ...
-2024-12-03 10:02:03,228 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 10:02:03,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,230 - INFO - number of orbitals:  135
-2024-12-03 10:02:03,230 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,230 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,230 - INFO - moving on ...
-2024-12-03 10:02:03,230 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 10:02:03,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,231 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,231 - INFO - moving on ...
-2024-12-03 10:02:03,231 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 10:02:03,232 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 10:02:03,232 - INFO - problem_instance short name: Sc_1
-2024-12-03 10:02:03,232 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,232 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 10:02:03,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,233 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,233 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,234 - INFO - moving on ...
-2024-12-03 10:02:03,234 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 10:02:03,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,235 - INFO - number of orbitals:  135
-2024-12-03 10:02:03,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,235 - INFO - moving on ...
-2024-12-03 10:02:03,235 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 10:02:03,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,236 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,236 - INFO - moving on ...
-2024-12-03 10:02:03,236 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 10:02:03,237 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 10:02:03,237 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 10:02:03,238 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,238 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 10:02:03,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,239 - INFO - number of orbitals:  37
-2024-12-03 10:02:03,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,239 - INFO - moving on ...
-2024-12-03 10:02:03,239 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 10:02:03,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,241 - INFO - number of orbitals:  78
-2024-12-03 10:02:03,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,241 - INFO - moving on ...
-2024-12-03 10:02:03,241 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 10:02:03,242 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 10:02:03,242 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 10:02:03,242 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,242 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 10:02:03,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,244 - INFO - number of orbitals:  24
-2024-12-03 10:02:03,244 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,244 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,244 - INFO - moving on ...
-2024-12-03 10:02:03,244 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 10:02:03,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,246 - INFO - number of orbitals:  115
-2024-12-03 10:02:03,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,246 - INFO - moving on ...
-2024-12-03 10:02:03,246 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 10:02:03,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,247 - INFO - number of orbitals:  58
-2024-12-03 10:02:03,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,247 - INFO - moving on ...
-2024-12-03 10:02:03,247 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 10:02:03,250 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 10:02:03,250 - INFO - problem_instance short name: mn_mono
-2024-12-03 10:02:03,250 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,250 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 10:02:03,250 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,250 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,250 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,252 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,253 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,253 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 10:02:03,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 10:02:03,253 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 10:02:03,259 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,260 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,260 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 10:02:03,260 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,260 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,260 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,262 - INFO - number of orbitals:  30
-2024-12-03 10:02:03,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,262 - INFO - moving on ...
-2024-12-03 10:02:03,262 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 10:02:03,263 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,263 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,263 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,265 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,265 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,265 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 10:02:03,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 10:02:03,265 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 10:02:03,272 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,272 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,272 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 10:02:03,272 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,272 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,273 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,275 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,275 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,275 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,275 - INFO - moving on ...
-2024-12-03 10:02:03,275 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 10:02:03,275 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,275 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,275 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,277 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,277 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,277 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 10:02:03,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 10:02:03,277 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 10:02:03,284 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,284 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,284 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 10:02:03,284 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,284 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,285 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,287 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,287 - INFO - moving on ...
-2024-12-03 10:02:03,287 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 10:02:03,287 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,287 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,287 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,289 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,289 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,289 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 10:02:03,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 10:02:03,289 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 10:02:03,295 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,296 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,296 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 10:02:03,296 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,296 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,296 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,298 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,298 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,298 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,298 - INFO - moving on ...
-2024-12-03 10:02:03,298 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 10:02:03,299 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 10:02:03,299 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 10:02:03,299 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,299 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 10:02:03,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,301 - INFO - number of orbitals:  70
-2024-12-03 10:02:03,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,301 - INFO - moving on ...
-2024-12-03 10:02:03,301 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 10:02:03,302 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 10:02:03,302 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 10:02:03,302 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,302 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 10:02:03,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,303 - INFO - number of orbitals:  38
-2024-12-03 10:02:03,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,303 - INFO - moving on ...
-2024-12-03 10:02:03,304 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 10:02:03,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,305 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,305 - INFO - moving on ...
-2024-12-03 10:02:03,305 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 10:02:03,306 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 10:02:03,306 - INFO - problem_instance short name: c_o_0
-2024-12-03 10:02:03,306 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,306 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 10:02:03,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,308 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,308 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,308 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,308 - INFO - moving on ...
-2024-12-03 10:02:03,308 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 10:02:03,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,309 - INFO - number of orbitals:  110
-2024-12-03 10:02:03,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,309 - INFO - moving on ...
-2024-12-03 10:02:03,309 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 10:02:03,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,310 - INFO - number of orbitals:  60
-2024-12-03 10:02:03,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,311 - INFO - moving on ...
-2024-12-03 10:02:03,311 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 10:02:03,312 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 10:02:03,312 - INFO - problem_instance short name: c_s_0
-2024-12-03 10:02:03,312 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,312 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 10:02:03,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,313 - INFO - number of orbitals:  32
-2024-12-03 10:02:03,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,313 - INFO - moving on ...
-2024-12-03 10:02:03,313 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 10:02:03,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,314 - INFO - number of orbitals:  64
-2024-12-03 10:02:03,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,314 - INFO - moving on ...
-2024-12-03 10:02:03,314 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 10:02:03,316 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 10:02:03,316 - INFO - problem_instance short name: VO_0
-2024-12-03 10:02:03,316 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,316 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 10:02:03,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,317 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,317 - INFO - moving on ...
-2024-12-03 10:02:03,317 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 10:02:03,318 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 10:02:03,318 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 10:02:03,318 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,318 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 10:02:03,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,320 - INFO - number of orbitals:  52
-2024-12-03 10:02:03,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,320 - INFO - moving on ...
-2024-12-03 10:02:03,320 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 10:02:03,321 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 10:02:03,321 - INFO - problem_instance short name: TiO_0
-2024-12-03 10:02:03,321 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,321 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 10:02:03,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,323 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,323 - INFO - moving on ...
-2024-12-03 10:02:03,323 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 10:02:03,324 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 10:02:03,324 - INFO - problem_instance short name: Mn_0
-2024-12-03 10:02:03,324 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,324 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 10:02:03,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,326 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,326 - INFO - moving on ...
-2024-12-03 10:02:03,326 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 10:02:03,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,327 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,327 - INFO - moving on ...
-2024-12-03 10:02:03,327 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 10:02:03,329 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 10:02:03,330 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 10:02:03,330 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,330 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 10:02:03,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,331 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,332 - INFO - moving on ...
-2024-12-03 10:02:03,332 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 10:02:03,333 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 10:02:03,333 - INFO - problem_instance short name: c_h4_0
-2024-12-03 10:02:03,333 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,333 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 10:02:03,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,334 - INFO - number of orbitals:  34
-2024-12-03 10:02:03,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,334 - INFO - moving on ...
-2024-12-03 10:02:03,334 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 10:02:03,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,336 - INFO - number of orbitals:  86
-2024-12-03 10:02:03,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,336 - INFO - moving on ...
-2024-12-03 10:02:03,336 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 10:02:03,337 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 10:02:03,337 - INFO - problem_instance short name: mo_n2
-2024-12-03 10:02:03,338 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,338 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 10:02:03,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,340 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,340 - INFO - moving on ...
-2024-12-03 10:02:03,340 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 10:02:03,340 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,340 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,340 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,342 - INFO - number of orbitals:  46
-2024-12-03 10:02:03,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,342 - INFO - moving on ...
-2024-12-03 10:02:03,342 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 10:02:03,342 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,342 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,343 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,345 - INFO - number of orbitals:  46
-2024-12-03 10:02:03,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,345 - INFO - moving on ...
-2024-12-03 10:02:03,345 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 10:02:03,345 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,345 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,345 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,347 - INFO - number of orbitals:  30
-2024-12-03 10:02:03,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,347 - INFO - moving on ...
-2024-12-03 10:02:03,347 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 10:02:03,348 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 10:02:03,348 - INFO - problem_instance short name: h2_o_0
-2024-12-03 10:02:03,348 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,348 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 10:02:03,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,350 - INFO - number of orbitals:  24
-2024-12-03 10:02:03,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,350 - INFO - moving on ...
-2024-12-03 10:02:03,350 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 10:02:03,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,351 - INFO - number of orbitals:  115
-2024-12-03 10:02:03,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,351 - INFO - moving on ...
-2024-12-03 10:02:03,351 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 10:02:03,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,353 - INFO - number of orbitals:  58
-2024-12-03 10:02:03,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,353 - INFO - moving on ...
-2024-12-03 10:02:03,353 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 10:02:03,353 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 10:02:03,354 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 10:02:03,354 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,354 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 10:02:03,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,355 - INFO - number of orbitals:  48
-2024-12-03 10:02:03,355 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,355 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,355 - INFO - moving on ...
-2024-12-03 10:02:03,355 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 10:02:03,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,356 - INFO - number of orbitals:  116
-2024-12-03 10:02:03,357 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,357 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,357 - INFO - moving on ...
-2024-12-03 10:02:03,357 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 10:02:03,357 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 10:02:03,357 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 10:02:03,357 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,357 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 10:02:03,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,359 - INFO - number of orbitals:  30
-2024-12-03 10:02:03,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,359 - INFO - moving on ...
-2024-12-03 10:02:03,359 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 10:02:03,360 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 10:02:03,360 - INFO - problem_instance short name: Cr_0
-2024-12-03 10:02:03,360 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,360 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 10:02:03,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,361 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,361 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,361 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,361 - INFO - moving on ...
-2024-12-03 10:02:03,361 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 10:02:03,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,362 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,362 - INFO - moving on ...
-2024-12-03 10:02:03,362 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 10:02:03,364 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 10:02:03,364 - INFO - problem_instance short name: blue_dimer
-2024-12-03 10:02:03,364 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,364 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 10:02:03,364 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,364 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,364 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,366 - INFO - number of orbitals:  18
-2024-12-03 10:02:03,366 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,366 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,366 - INFO - moving on ...
-2024-12-03 10:02:03,366 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 10:02:03,366 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,366 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,366 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,368 - INFO - number of orbitals:  22
-2024-12-03 10:02:03,368 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,368 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,368 - INFO - moving on ...
-2024-12-03 10:02:03,368 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 10:02:03,368 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,368 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,368 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,370 - INFO - number of orbitals:  34
-2024-12-03 10:02:03,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,370 - INFO - moving on ...
-2024-12-03 10:02:03,370 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 10:02:03,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,372 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,372 - INFO - moving on ...
-2024-12-03 10:02:03,372 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 10:02:03,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,372 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,372 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,374 - INFO - number of orbitals:  18
-2024-12-03 10:02:03,374 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,374 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,374 - INFO - moving on ...
-2024-12-03 10:02:03,374 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 10:02:03,374 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,374 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,374 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,376 - INFO - number of orbitals:  22
-2024-12-03 10:02:03,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,376 - INFO - moving on ...
-2024-12-03 10:02:03,376 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 10:02:03,376 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,376 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,376 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,378 - INFO - number of orbitals:  34
-2024-12-03 10:02:03,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,378 - INFO - moving on ...
-2024-12-03 10:02:03,378 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 10:02:03,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,380 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,380 - INFO - moving on ...
-2024-12-03 10:02:03,380 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 10:02:03,380 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,380 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,381 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,382 - INFO - number of orbitals:  19
-2024-12-03 10:02:03,382 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,382 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,382 - INFO - moving on ...
-2024-12-03 10:02:03,382 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 10:02:03,382 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,383 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,383 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,384 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,385 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,385 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,385 - INFO - moving on ...
-2024-12-03 10:02:03,385 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 10:02:03,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,385 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,385 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,387 - INFO - number of orbitals:  34
-2024-12-03 10:02:03,387 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,387 - INFO - moving on ...
-2024-12-03 10:02:03,387 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 10:02:03,387 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,387 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,387 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,389 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,389 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,389 - INFO - moving on ...
-2024-12-03 10:02:03,389 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 10:02:03,390 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 10:02:03,390 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 10:02:03,390 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,390 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 10:02:03,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,392 - INFO - number of orbitals:  69
-2024-12-03 10:02:03,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,392 - INFO - moving on ...
-2024-12-03 10:02:03,392 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 10:02:03,393 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 10:02:03,393 - INFO - problem_instance short name: h_cl_0
-2024-12-03 10:02:03,393 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,393 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 10:02:03,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,394 - INFO - number of orbitals:  23
-2024-12-03 10:02:03,394 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,394 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,394 - INFO - moving on ...
-2024-12-03 10:02:03,394 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 10:02:03,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,395 - INFO - number of orbitals:  89
-2024-12-03 10:02:03,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,396 - INFO - moving on ...
-2024-12-03 10:02:03,396 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 10:02:03,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,397 - INFO - number of orbitals:  48
-2024-12-03 10:02:03,397 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,397 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,397 - INFO - moving on ...
-2024-12-03 10:02:03,397 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 10:02:03,398 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 10:02:03,398 - INFO - problem_instance short name: ru_mono
-2024-12-03 10:02:03,398 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,398 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 10:02:03,398 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,399 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,399 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,400 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,400 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,401 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 10:02:03,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 10:02:03,401 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 10:02:03,407 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,408 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,408 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 10:02:03,408 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,408 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,408 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,410 - INFO - number of orbitals:  34
-2024-12-03 10:02:03,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,410 - INFO - moving on ...
-2024-12-03 10:02:03,410 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 10:02:03,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,412 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,412 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,412 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 10:02:03,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 10:02:03,412 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 10:02:03,418 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,418 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,418 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 10:02:03,418 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,420 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,421 - INFO - moving on ...
-2024-12-03 10:02:03,421 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 10:02:03,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,422 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,422 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,422 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 10:02:03,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 10:02:03,422 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 10:02:03,428 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,428 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,429 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 10:02:03,429 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,429 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,429 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,431 - INFO - number of orbitals:  34
-2024-12-03 10:02:03,431 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,431 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,431 - INFO - moving on ...
-2024-12-03 10:02:03,431 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 10:02:03,432 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 10:02:03,432 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 10:02:03,432 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,432 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 10:02:03,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,433 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,433 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,433 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 10:02:03,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 10:02:03,433 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 10:02:03,439 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,439 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,439 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 10:02:03,441 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 10:02:03,442 - INFO - problem_instance short name: CrO_0
-2024-12-03 10:02:03,442 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,442 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 10:02:03,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,443 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,443 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,443 - INFO - moving on ...
-2024-12-03 10:02:03,443 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 10:02:03,444 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 10:02:03,444 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 10:02:03,444 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,444 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 10:02:03,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,445 - INFO - number of orbitals:  66
-2024-12-03 10:02:03,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,445 - INFO - moving on ...
-2024-12-03 10:02:03,445 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 10:02:03,446 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 10:02:03,446 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 10:02:03,446 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,446 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 10:02:03,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,447 - INFO - number of orbitals:  38
-2024-12-03 10:02:03,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,448 - INFO - moving on ...
-2024-12-03 10:02:03,448 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 10:02:03,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,449 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,449 - INFO - moving on ...
-2024-12-03 10:02:03,449 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 10:02:03,450 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 10:02:03,450 - INFO - problem_instance short name: p_h3_0
-2024-12-03 10:02:03,450 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,450 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 10:02:03,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,451 - INFO - number of orbitals:  33
-2024-12-03 10:02:03,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,451 - INFO - moving on ...
-2024-12-03 10:02:03,451 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 10:02:03,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,452 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,453 - INFO - moving on ...
-2024-12-03 10:02:03,453 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 10:02:03,453 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 10:02:03,454 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 10:02:03,454 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,454 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 10:02:03,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,455 - INFO - number of orbitals:  47
-2024-12-03 10:02:03,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,455 - INFO - moving on ...
-2024-12-03 10:02:03,455 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 10:02:03,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,456 - INFO - number of orbitals:  106
-2024-12-03 10:02:03,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,456 - INFO - moving on ...
-2024-12-03 10:02:03,456 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 10:02:03,458 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 10:02:03,458 - INFO - problem_instance short name: Mn_1
-2024-12-03 10:02:03,458 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,458 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 10:02:03,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,459 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,459 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,459 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,459 - INFO - moving on ...
-2024-12-03 10:02:03,459 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 10:02:03,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,460 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,460 - INFO - moving on ...
-2024-12-03 10:02:03,461 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 10:02:03,462 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 10:02:03,462 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 10:02:03,462 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,462 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 10:02:03,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,463 - INFO - number of orbitals:  48
-2024-12-03 10:02:03,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,463 - INFO - moving on ...
-2024-12-03 10:02:03,463 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 10:02:03,464 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 10:02:03,464 - INFO - problem_instance short name: benzene
-2024-12-03 10:02:03,464 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,464 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 10:02:03,464 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,464 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,464 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,466 - INFO - number of orbitals:  30
-2024-12-03 10:02:03,466 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,466 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,467 - INFO - moving on ...
-2024-12-03 10:02:03,467 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 10:02:03,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,468 - INFO - number of orbitals:  108
-2024-12-03 10:02:03,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,469 - INFO - moving on ...
-2024-12-03 10:02:03,469 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 10:02:03,469 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 10:02:03,470 - INFO - problem_instance short name: si_h4_0
-2024-12-03 10:02:03,470 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,470 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 10:02:03,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,471 - INFO - number of orbitals:  38
-2024-12-03 10:02:03,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,471 - INFO - moving on ...
-2024-12-03 10:02:03,471 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 10:02:03,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,472 - INFO - number of orbitals:  90
-2024-12-03 10:02:03,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,472 - INFO - moving on ...
-2024-12-03 10:02:03,472 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 10:02:03,473 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 10:02:03,474 - INFO - problem_instance short name: li_f_0
-2024-12-03 10:02:03,474 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,474 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 10:02:03,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,475 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,475 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,475 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,475 - INFO - moving on ...
-2024-12-03 10:02:03,475 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 10:02:03,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,476 - INFO - number of orbitals:  110
-2024-12-03 10:02:03,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,477 - INFO - moving on ...
-2024-12-03 10:02:03,477 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 10:02:03,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,478 - INFO - number of orbitals:  60
-2024-12-03 10:02:03,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,479 - INFO - moving on ...
-2024-12-03 10:02:03,479 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 10:02:03,480 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 10:02:03,480 - INFO - problem_instance short name: f2_0
-2024-12-03 10:02:03,480 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,480 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 10:02:03,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,482 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,482 - INFO - moving on ...
-2024-12-03 10:02:03,482 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 10:02:03,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,483 - INFO - number of orbitals:  110
-2024-12-03 10:02:03,483 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,483 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,484 - INFO - moving on ...
-2024-12-03 10:02:03,484 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 10:02:03,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,485 - INFO - number of orbitals:  60
-2024-12-03 10:02:03,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,485 - INFO - moving on ...
-2024-12-03 10:02:03,485 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 10:02:03,486 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 10:02:03,486 - INFO - problem_instance short name: Ti_0
-2024-12-03 10:02:03,486 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,486 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 10:02:03,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,487 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,487 - INFO - moving on ...
-2024-12-03 10:02:03,487 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 10:02:03,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,488 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,488 - INFO - moving on ...
-2024-12-03 10:02:03,489 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 10:02:03,489 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 10:02:03,489 - INFO - problem_instance short name: Ti_1
-2024-12-03 10:02:03,489 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,489 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 10:02:03,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,490 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,491 - INFO - moving on ...
-2024-12-03 10:02:03,491 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 10:02:03,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,492 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,492 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,492 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,492 - INFO - moving on ...
-2024-12-03 10:02:03,492 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 10:02:03,493 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 10:02:03,493 - INFO - problem_instance short name: fe_red
-2024-12-03 10:02:03,493 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,493 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 10:02:03,493 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,493 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,493 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,495 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,495 - INFO - moving on ...
-2024-12-03 10:02:03,495 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 10:02:03,495 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,495 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,495 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,497 - INFO - number of orbitals:  53
-2024-12-03 10:02:03,497 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,497 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,497 - INFO - moving on ...
-2024-12-03 10:02:03,497 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 10:02:03,497 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,497 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,497 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,499 - INFO - number of orbitals:  58
-2024-12-03 10:02:03,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,499 - INFO - moving on ...
-2024-12-03 10:02:03,499 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 10:02:03,499 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,499 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,499 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,501 - INFO - number of orbitals:  44
-2024-12-03 10:02:03,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,501 - INFO - moving on ...
-2024-12-03 10:02:03,501 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 10:02:03,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,503 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,503 - INFO - moving on ...
-2024-12-03 10:02:03,503 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 10:02:03,503 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,503 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,503 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,505 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,505 - INFO - moving on ...
-2024-12-03 10:02:03,505 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 10:02:03,505 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,505 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,507 - INFO - number of orbitals:  44
-2024-12-03 10:02:03,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,507 - INFO - moving on ...
-2024-12-03 10:02:03,507 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 10:02:03,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,507 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,507 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,509 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,509 - INFO - moving on ...
-2024-12-03 10:02:03,509 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 10:02:03,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,509 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,509 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,511 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,511 - INFO - moving on ...
-2024-12-03 10:02:03,511 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 10:02:03,512 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 10:02:03,512 - INFO - problem_instance short name: Sc_0
-2024-12-03 10:02:03,512 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,512 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 10:02:03,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,514 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,514 - INFO - moving on ...
-2024-12-03 10:02:03,514 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 10:02:03,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,515 - INFO - number of orbitals:  135
-2024-12-03 10:02:03,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,515 - INFO - moving on ...
-2024-12-03 10:02:03,515 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 10:02:03,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,517 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,517 - INFO - moving on ...
-2024-12-03 10:02:03,517 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 10:02:03,518 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 10:02:03,518 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 10:02:03,518 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,518 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 10:02:03,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,519 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,519 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,519 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 10:02:03,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 10:02:03,519 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 10:02:03,525 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,526 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,526 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 10:02:03,527 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 10:02:03,527 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 10:02:03,527 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,527 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 10:02:03,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,529 - INFO - number of orbitals:  38
-2024-12-03 10:02:03,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,530 - INFO - moving on ...
-2024-12-03 10:02:03,530 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 10:02:03,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,531 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,531 - INFO - moving on ...
-2024-12-03 10:02:03,531 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 10:02:03,532 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 10:02:03,532 - INFO - problem_instance short name: cl2_0
-2024-12-03 10:02:03,532 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,532 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 10:02:03,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,533 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,534 - INFO - moving on ...
-2024-12-03 10:02:03,534 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 10:02:03,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,535 - INFO - number of orbitals:  118
-2024-12-03 10:02:03,535 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,535 - INFO - moving on ...
-2024-12-03 10:02:03,535 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 10:02:03,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,536 - INFO - number of orbitals:  68
-2024-12-03 10:02:03,536 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,536 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,536 - INFO - moving on ...
-2024-12-03 10:02:03,536 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 10:02:03,537 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 10:02:03,537 - INFO - problem_instance short name: ScO_0
-2024-12-03 10:02:03,537 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,537 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 10:02:03,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,539 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,539 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,539 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,539 - INFO - moving on ...
-2024-12-03 10:02:03,539 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 10:02:03,540 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 10:02:03,540 - INFO - problem_instance short name: Cu_1
-2024-12-03 10:02:03,540 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,540 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 10:02:03,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,541 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,541 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,541 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,541 - INFO - moving on ...
-2024-12-03 10:02:03,541 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 10:02:03,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,542 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,543 - INFO - moving on ...
-2024-12-03 10:02:03,543 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 10:02:03,543 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 10:02:03,543 - INFO - problem_instance short name: Cu_0
-2024-12-03 10:02:03,544 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,544 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 10:02:03,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,545 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,545 - INFO - moving on ...
-2024-12-03 10:02:03,545 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 10:02:03,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,547 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,547 - INFO - moving on ...
-2024-12-03 10:02:03,547 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 10:02:03,548 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 10:02:03,548 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 10:02:03,549 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,549 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 10:02:03,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,550 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,550 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,551 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 10:02:03,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 10:02:03,551 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 10:02:03,558 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,558 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,558 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 10:02:03,559 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 10:02:03,559 - INFO - problem_instance short name: p2_0
-2024-12-03 10:02:03,559 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,559 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 10:02:03,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,560 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,561 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,561 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,561 - INFO - moving on ...
-2024-12-03 10:02:03,561 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 10:02:03,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,562 - INFO - number of orbitals:  118
-2024-12-03 10:02:03,562 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,562 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,562 - INFO - moving on ...
-2024-12-03 10:02:03,562 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 10:02:03,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,563 - INFO - number of orbitals:  68
-2024-12-03 10:02:03,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,564 - INFO - moving on ...
-2024-12-03 10:02:03,564 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 10:02:03,564 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 10:02:03,565 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 10:02:03,565 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,565 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 10:02:03,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,566 - INFO - number of orbitals:  33
-2024-12-03 10:02:03,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,566 - INFO - moving on ...
-2024-12-03 10:02:03,566 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 10:02:03,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,567 - INFO - number of orbitals:  74
-2024-12-03 10:02:03,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,568 - INFO - moving on ...
-2024-12-03 10:02:03,568 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 10:02:03,568 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 10:02:03,569 - INFO - problem_instance short name: h2_s_0
-2024-12-03 10:02:03,569 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,569 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 10:02:03,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,570 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,570 - INFO - moving on ...
-2024-12-03 10:02:03,570 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 10:02:03,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,572 - INFO - number of orbitals:  119
-2024-12-03 10:02:03,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,572 - INFO - moving on ...
-2024-12-03 10:02:03,572 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 10:02:03,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,573 - INFO - number of orbitals:  62
-2024-12-03 10:02:03,573 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,573 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,573 - INFO - moving on ...
-2024-12-03 10:02:03,573 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 10:02:03,574 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 10:02:03,574 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 10:02:03,574 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,574 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 10:02:03,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,575 - INFO - number of orbitals:  69
-2024-12-03 10:02:03,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,576 - INFO - moving on ...
-2024-12-03 10:02:03,576 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 10:02:03,577 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 10:02:03,577 - INFO - problem_instance short name: c_o2_0
-2024-12-03 10:02:03,577 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,577 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 10:02:03,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,578 - INFO - number of orbitals:  42
-2024-12-03 10:02:03,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,578 - INFO - moving on ...
-2024-12-03 10:02:03,579 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 10:02:03,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,580 - INFO - number of orbitals:  90
-2024-12-03 10:02:03,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,580 - INFO - moving on ...
-2024-12-03 10:02:03,580 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 10:02:03,581 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 10:02:03,581 - INFO - problem_instance short name: h_f_0
-2024-12-03 10:02:03,581 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,581 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 10:02:03,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,582 - INFO - number of orbitals:  19
-2024-12-03 10:02:03,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,582 - INFO - moving on ...
-2024-12-03 10:02:03,582 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 10:02:03,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,584 - INFO - number of orbitals:  85
-2024-12-03 10:02:03,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,584 - INFO - moving on ...
-2024-12-03 10:02:03,584 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 10:02:03,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,585 - INFO - number of orbitals:  44
-2024-12-03 10:02:03,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,585 - INFO - moving on ...
-2024-12-03 10:02:03,586 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 10:02:03,586 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 10:02:03,586 - INFO - problem_instance short name: Fe_1
-2024-12-03 10:02:03,586 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,586 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 10:02:03,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,588 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,588 - INFO - moving on ...
-2024-12-03 10:02:03,588 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 10:02:03,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,589 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,589 - INFO - moving on ...
-2024-12-03 10:02:03,589 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 10:02:03,590 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 10:02:03,590 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 10:02:03,590 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,590 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 10:02:03,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,592 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,592 - INFO - moving on ...
-2024-12-03 10:02:03,592 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 10:02:03,593 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 10:02:03,593 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 10:02:03,593 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,593 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 10:02:03,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,594 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,594 - INFO - moving on ...
-2024-12-03 10:02:03,594 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 10:02:03,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,595 - INFO - number of orbitals:  119
-2024-12-03 10:02:03,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,595 - INFO - moving on ...
-2024-12-03 10:02:03,595 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 10:02:03,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,597 - INFO - number of orbitals:  62
-2024-12-03 10:02:03,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,597 - INFO - moving on ...
-2024-12-03 10:02:03,597 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 10:02:03,598 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 10:02:03,598 - INFO - problem_instance short name: FeO_0
-2024-12-03 10:02:03,598 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,598 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 10:02:03,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,599 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,599 - INFO - moving on ...
-2024-12-03 10:02:03,599 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 10:02:03,600 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 10:02:03,600 - INFO - problem_instance short name: s_o2_0
-2024-12-03 10:02:03,600 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,600 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 10:02:03,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,601 - INFO - number of orbitals:  46
-2024-12-03 10:02:03,602 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,602 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,602 - INFO - moving on ...
-2024-12-03 10:02:03,602 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 10:02:03,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,603 - INFO - number of orbitals:  94
-2024-12-03 10:02:03,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,603 - INFO - moving on ...
-2024-12-03 10:02:03,603 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 10:02:03,604 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 10:02:03,604 - INFO - problem_instance short name: V_0
-2024-12-03 10:02:03,604 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,604 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 10:02:03,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,605 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,606 - INFO - moving on ...
-2024-12-03 10:02:03,606 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 10:02:03,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,607 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,607 - INFO - moving on ...
-2024-12-03 10:02:03,607 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 10:02:03,608 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 10:02:03,608 - INFO - problem_instance short name: ru_macho
-2024-12-03 10:02:03,608 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,609 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 10:02:03,609 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,609 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,609 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,610 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,611 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,611 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 10:02:03,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 10:02:03,611 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 10:02:03,617 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,617 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,617 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 10:02:03,617 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,619 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,620 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,620 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 10:02:03,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 10:02:03,620 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 10:02:03,626 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,626 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,626 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 10:02:03,626 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,626 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,626 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,628 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,628 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,628 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 10:02:03,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 10:02:03,628 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 10:02:03,635 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,635 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,635 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 10:02:03,635 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,635 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,635 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,637 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,637 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,637 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 10:02:03,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 10:02:03,638 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 10:02:03,644 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,644 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,644 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 10:02:03,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,646 - INFO - number of orbitals:  33
-2024-12-03 10:02:03,646 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,647 - INFO - moving on ...
-2024-12-03 10:02:03,647 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 10:02:03,647 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,647 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,647 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,649 - INFO - number of orbitals:  23
-2024-12-03 10:02:03,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,649 - INFO - moving on ...
-2024-12-03 10:02:03,649 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 10:02:03,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,649 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,649 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,651 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,651 - INFO - moving on ...
-2024-12-03 10:02:03,651 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 10:02:03,651 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,651 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,651 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,653 - INFO - number of orbitals:  21
-2024-12-03 10:02:03,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,653 - INFO - moving on ...
-2024-12-03 10:02:03,653 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 10:02:03,653 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,653 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,653 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,655 - INFO - number of orbitals:  42
-2024-12-03 10:02:03,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,655 - INFO - moving on ...
-2024-12-03 10:02:03,655 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 10:02:03,656 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 10:02:03,656 - INFO - problem_instance short name: na_cl_0
-2024-12-03 10:02:03,656 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,656 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 10:02:03,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,658 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,658 - INFO - moving on ...
-2024-12-03 10:02:03,658 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 10:02:03,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,659 - INFO - number of orbitals:  118
-2024-12-03 10:02:03,659 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,659 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,659 - INFO - moving on ...
-2024-12-03 10:02:03,659 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 10:02:03,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,661 - INFO - number of orbitals:  68
-2024-12-03 10:02:03,661 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,661 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,661 - INFO - moving on ...
-2024-12-03 10:02:03,661 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 10:02:03,662 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 10:02:03,662 - INFO - problem_instance short name: Fe_0
-2024-12-03 10:02:03,662 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,662 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 10:02:03,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,664 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,664 - INFO - moving on ...
-2024-12-03 10:02:03,664 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 10:02:03,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,665 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,665 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,665 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,665 - INFO - moving on ...
-2024-12-03 10:02:03,665 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 10:02:03,667 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 10:02:03,667 - INFO - problem_instance short name: mo2_n2
-2024-12-03 10:02:03,667 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,667 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 10:02:03,667 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,667 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,667 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,669 - INFO - number of orbitals:  69
-2024-12-03 10:02:03,669 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,669 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,669 - INFO - moving on ...
-2024-12-03 10:02:03,669 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 10:02:03,669 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,669 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,669 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,671 - INFO - number of orbitals:  70
-2024-12-03 10:02:03,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,671 - INFO - moving on ...
-2024-12-03 10:02:03,671 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 10:02:03,671 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,671 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,671 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,673 - INFO - number of orbitals:  69
-2024-12-03 10:02:03,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,673 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,673 - INFO - moving on ...
-2024-12-03 10:02:03,673 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 10:02:03,674 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 10:02:03,674 - INFO - problem_instance short name: si_o_0
-2024-12-03 10:02:03,674 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,674 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 10:02:03,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,676 - INFO - number of orbitals:  32
-2024-12-03 10:02:03,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,676 - INFO - moving on ...
-2024-12-03 10:02:03,676 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 10:02:03,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,678 - INFO - number of orbitals:  114
-2024-12-03 10:02:03,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,678 - INFO - moving on ...
-2024-12-03 10:02:03,678 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 10:02:03,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,679 - INFO - number of orbitals:  64
-2024-12-03 10:02:03,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,680 - INFO - moving on ...
-2024-12-03 10:02:03,680 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 10:02:03,681 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 10:02:03,681 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 10:02:03,681 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,681 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 10:02:03,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,682 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,682 - INFO - moving on ...
-2024-12-03 10:02:03,682 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 10:02:03,683 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 10:02:03,683 - INFO - problem_instance short name: MnO_0
-2024-12-03 10:02:03,683 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,683 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 10:02:03,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,685 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,685 - INFO - moving on ...
-2024-12-03 10:02:03,685 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 10:02:03,686 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 10:02:03,686 - INFO - problem_instance short name: V_1
-2024-12-03 10:02:03,686 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,686 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 10:02:03,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,688 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,688 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,688 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,688 - INFO - moving on ...
-2024-12-03 10:02:03,688 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 10:02:03,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,690 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,690 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,690 - INFO - moving on ...
-2024-12-03 10:02:03,690 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 10:02:03,691 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 10:02:03,691 - INFO - problem_instance short name: cr_dimer
-2024-12-03 10:02:03,691 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,691 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 10:02:03,691 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,691 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,691 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,694 - INFO - number of orbitals:  18
-2024-12-03 10:02:03,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,694 - INFO - moving on ...
-2024-12-03 10:02:03,694 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 10:02:03,694 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,694 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,694 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,696 - INFO - number of orbitals:  26
-2024-12-03 10:02:03,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,696 - INFO - moving on ...
-2024-12-03 10:02:03,696 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 10:02:03,697 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,697 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,697 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,698 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,699 - INFO - number of orbitals:  68
-2024-12-03 10:02:03,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,699 - INFO - moving on ...
-2024-12-03 10:02:03,699 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 10:02:03,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,699 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,699 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,701 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,701 - INFO - moving on ...
-2024-12-03 10:02:03,701 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 10:02:03,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,704 - INFO - number of orbitals:  18
-2024-12-03 10:02:03,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,704 - INFO - moving on ...
-2024-12-03 10:02:03,704 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 10:02:03,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,707 - INFO - number of orbitals:  26
-2024-12-03 10:02:03,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,707 - INFO - moving on ...
-2024-12-03 10:02:03,707 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 10:02:03,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,707 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,707 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,709 - INFO - number of orbitals:  68
-2024-12-03 10:02:03,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,709 - INFO - moving on ...
-2024-12-03 10:02:03,709 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 10:02:03,709 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,709 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,709 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,711 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,711 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,711 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,711 - INFO - moving on ...
-2024-12-03 10:02:03,711 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 10:02:03,711 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,711 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,711 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,713 - INFO - number of orbitals:  18
-2024-12-03 10:02:03,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,713 - INFO - moving on ...
-2024-12-03 10:02:03,713 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 10:02:03,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,713 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,713 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,715 - INFO - number of orbitals:  26
-2024-12-03 10:02:03,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,715 - INFO - moving on ...
-2024-12-03 10:02:03,715 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 10:02:03,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,718 - INFO - number of orbitals:  68
-2024-12-03 10:02:03,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,718 - INFO - moving on ...
-2024-12-03 10:02:03,718 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 10:02:03,718 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,720 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,721 - INFO - moving on ...
-2024-12-03 10:02:03,721 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 10:02:03,722 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 10:02:03,722 - INFO - problem_instance short name: li2_0
-2024-12-03 10:02:03,722 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,722 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 10:02:03,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,724 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,724 - INFO - moving on ...
-2024-12-03 10:02:03,724 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 10:02:03,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,725 - INFO - number of orbitals:  110
-2024-12-03 10:02:03,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,726 - INFO - moving on ...
-2024-12-03 10:02:03,726 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 10:02:03,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,727 - INFO - number of orbitals:  60
-2024-12-03 10:02:03,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,727 - INFO - moving on ...
-2024-12-03 10:02:03,727 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 10:02:03,728 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 10:02:03,728 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 10:02:03,728 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,728 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 10:02:03,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,729 - INFO - number of orbitals:  48
-2024-12-03 10:02:03,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,729 - INFO - moving on ...
-2024-12-03 10:02:03,729 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 10:02:03,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,730 - INFO - number of orbitals:  116
-2024-12-03 10:02:03,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,731 - INFO - moving on ...
-2024-12-03 10:02:03,731 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 10:02:03,731 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 10:02:03,731 - INFO - problem_instance short name: CuO_0
-2024-12-03 10:02:03,731 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,731 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 10:02:03,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,733 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,733 - INFO - moving on ...
-2024-12-03 10:02:03,733 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 10:02:03,734 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 10:02:03,734 - INFO - problem_instance short name: n2_0
-2024-12-03 10:02:03,735 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,735 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 10:02:03,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,736 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,736 - INFO - moving on ...
-2024-12-03 10:02:03,736 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 10:02:03,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,737 - INFO - number of orbitals:  110
-2024-12-03 10:02:03,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,738 - INFO - moving on ...
-2024-12-03 10:02:03,738 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 10:02:03,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,739 - INFO - number of orbitals:  60
-2024-12-03 10:02:03,739 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-03 10:02:03,739 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,739 - INFO - moving on ...
-2024-12-03 10:02:03,739 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 10:02:03,739 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 10:02:03,739 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 10:02:03,739 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,739 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 10:02:03,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,741 - INFO - number of orbitals:  37
-2024-12-03 10:02:03,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,741 - INFO - moving on ...
-2024-12-03 10:02:03,741 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 10:02:03,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,742 - INFO - number of orbitals:  78
-2024-12-03 10:02:03,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,742 - INFO - moving on ...
-2024-12-03 10:02:03,743 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 10:02:03,743 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 10:02:03,743 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 10:02:03,743 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,743 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 10:02:03,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,745 - INFO - number of orbitals:  47
-2024-12-03 10:02:03,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,745 - INFO - moving on ...
-2024-12-03 10:02:03,745 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 10:02:03,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,747 - INFO - number of orbitals:  106
-2024-12-03 10:02:03,747 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,747 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,747 - INFO - moving on ...
-2024-12-03 10:02:03,747 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 10:02:03,747 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 10:02:03,747 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 10:02:03,747 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,747 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 10:02:03,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,749 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,749 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,749 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 10:02:03,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 10:02:03,749 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 10:02:03,755 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,756 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,756 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 10:02:03,756 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 10:02:03,756 - INFO - problem_instance short name: benzene
-2024-12-03 10:02:03,756 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,756 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 10:02:03,756 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,756 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,756 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,758 - INFO - number of orbitals:  30
-2024-12-03 10:02:03,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,758 - INFO - moving on ...
-2024-12-03 10:02:03,758 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 10:02:03,758 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,758 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,758 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,760 - INFO - number of orbitals:  108
-2024-12-03 10:02:03,760 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,760 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,760 - INFO - moving on ...
-2024-12-03 10:02:03,760 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 10:02:03,760 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 10:02:03,760 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 10:02:03,761 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,761 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 10:02:03,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,762 - INFO - number of orbitals:  69
-2024-12-03 10:02:03,762 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,762 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,762 - INFO - moving on ...
-2024-12-03 10:02:03,762 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 10:02:03,762 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 10:02:03,762 - INFO - problem_instance short name: ru_mono
-2024-12-03 10:02:03,762 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,762 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 10:02:03,762 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,764 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,764 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,764 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 10:02:03,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 10:02:03,765 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 10:02:03,770 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,771 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,771 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 10:02:03,771 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,771 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,771 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,773 - INFO - number of orbitals:  34
-2024-12-03 10:02:03,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,773 - INFO - moving on ...
-2024-12-03 10:02:03,773 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 10:02:03,773 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,775 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,775 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,775 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 10:02:03,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 10:02:03,775 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 10:02:03,783 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,783 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,783 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 10:02:03,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,786 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,787 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,787 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,787 - INFO - moving on ...
-2024-12-03 10:02:03,787 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 10:02:03,787 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,787 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,787 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,789 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,789 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,789 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 10:02:03,790 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 10:02:03,790 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 10:02:03,797 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,797 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,798 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 10:02:03,798 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,798 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,798 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,801 - INFO - number of orbitals:  34
-2024-12-03 10:02:03,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,801 - INFO - moving on ...
-2024-12-03 10:02:03,801 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 10:02:03,801 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 10:02:03,801 - INFO - problem_instance short name: Sc_0
-2024-12-03 10:02:03,801 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,801 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 10:02:03,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,804 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,804 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,804 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,804 - INFO - moving on ...
-2024-12-03 10:02:03,804 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 10:02:03,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,806 - INFO - number of orbitals:  135
-2024-12-03 10:02:03,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,806 - INFO - moving on ...
-2024-12-03 10:02:03,806 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 10:02:03,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,808 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,808 - INFO - moving on ...
-2024-12-03 10:02:03,808 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 10:02:03,808 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 10:02:03,808 - INFO - problem_instance short name: Sc_1
-2024-12-03 10:02:03,808 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,808 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 10:02:03,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,810 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,810 - INFO - moving on ...
-2024-12-03 10:02:03,810 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 10:02:03,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,812 - INFO - number of orbitals:  135
-2024-12-03 10:02:03,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,812 - INFO - moving on ...
-2024-12-03 10:02:03,812 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 10:02:03,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,813 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,814 - INFO - moving on ...
-2024-12-03 10:02:03,814 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 10:02:03,814 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 10:02:03,814 - INFO - problem_instance short name: CuO_0
-2024-12-03 10:02:03,814 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,814 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 10:02:03,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,815 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,815 - INFO - moving on ...
-2024-12-03 10:02:03,815 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 10:02:03,816 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 10:02:03,816 - INFO - problem_instance short name: s_o2_0
-2024-12-03 10:02:03,816 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,816 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 10:02:03,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,817 - INFO - number of orbitals:  46
-2024-12-03 10:02:03,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,817 - INFO - moving on ...
-2024-12-03 10:02:03,817 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 10:02:03,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,818 - INFO - number of orbitals:  94
-2024-12-03 10:02:03,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,818 - INFO - moving on ...
-2024-12-03 10:02:03,818 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 10:02:03,819 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 10:02:03,819 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 10:02:03,819 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,819 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 10:02:03,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,820 - INFO - number of orbitals:  48
-2024-12-03 10:02:03,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,820 - INFO - moving on ...
-2024-12-03 10:02:03,820 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 10:02:03,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,821 - INFO - number of orbitals:  116
-2024-12-03 10:02:03,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,821 - INFO - moving on ...
-2024-12-03 10:02:03,821 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 10:02:03,822 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 10:02:03,822 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 10:02:03,822 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,822 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 10:02:03,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,823 - INFO - number of orbitals:  58
-2024-12-03 10:02:03,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,823 - INFO - moving on ...
-2024-12-03 10:02:03,823 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 10:02:03,823 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 10:02:03,823 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 10:02:03,823 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,823 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 10:02:03,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,824 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,825 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,825 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 10:02:03,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 10:02:03,825 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 10:02:03,830 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,831 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,831 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 10:02:03,831 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 10:02:03,831 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 10:02:03,831 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,831 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 10:02:03,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,832 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,833 - INFO - moving on ...
-2024-12-03 10:02:03,833 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 10:02:03,833 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 10:02:03,833 - INFO - problem_instance short name: n_h3_0
-2024-12-03 10:02:03,833 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,833 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 10:02:03,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,834 - INFO - number of orbitals:  29
-2024-12-03 10:02:03,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,834 - INFO - moving on ...
-2024-12-03 10:02:03,834 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 10:02:03,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,836 - INFO - number of orbitals:  72
-2024-12-03 10:02:03,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,836 - INFO - moving on ...
-2024-12-03 10:02:03,836 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 10:02:03,836 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 10:02:03,836 - INFO - problem_instance short name: Ti_0
-2024-12-03 10:02:03,836 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,836 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 10:02:03,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,838 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,838 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,838 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,838 - INFO - moving on ...
-2024-12-03 10:02:03,838 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 10:02:03,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,839 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,839 - INFO - moving on ...
-2024-12-03 10:02:03,839 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 10:02:03,839 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 10:02:03,839 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 10:02:03,839 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,839 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 10:02:03,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,841 - INFO - number of orbitals:  38
-2024-12-03 10:02:03,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,841 - INFO - moving on ...
-2024-12-03 10:02:03,841 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 10:02:03,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,842 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,842 - INFO - moving on ...
-2024-12-03 10:02:03,842 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 10:02:03,842 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 10:02:03,842 - INFO - problem_instance short name: Fe_1
-2024-12-03 10:02:03,842 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,843 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 10:02:03,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,844 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,844 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,844 - INFO - moving on ...
-2024-12-03 10:02:03,844 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 10:02:03,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,845 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,845 - INFO - moving on ...
-2024-12-03 10:02:03,845 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 10:02:03,845 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 10:02:03,846 - INFO - problem_instance short name: V_1
-2024-12-03 10:02:03,846 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,846 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 10:02:03,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,847 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,847 - INFO - moving on ...
-2024-12-03 10:02:03,847 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 10:02:03,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,848 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,848 - INFO - moving on ...
-2024-12-03 10:02:03,849 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 10:02:03,849 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 10:02:03,849 - INFO - problem_instance short name: cl2_0
-2024-12-03 10:02:03,849 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,849 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 10:02:03,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,850 - INFO - number of orbitals:  36
-2024-12-03 10:02:03,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,850 - INFO - moving on ...
-2024-12-03 10:02:03,851 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 10:02:03,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,855 - INFO - number of orbitals:  118
-2024-12-03 10:02:03,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,855 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,855 - INFO - moving on ...
-2024-12-03 10:02:03,855 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 10:02:03,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,857 - INFO - number of orbitals:  68
-2024-12-03 10:02:03,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,857 - INFO - moving on ...
-2024-12-03 10:02:03,857 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 10:02:03,857 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 10:02:03,857 - INFO - problem_instance short name: fe_red
-2024-12-03 10:02:03,857 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,857 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 10:02:03,857 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,857 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,857 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,859 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,859 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,859 - INFO - moving on ...
-2024-12-03 10:02:03,859 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 10:02:03,859 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,861 - INFO - number of orbitals:  53
-2024-12-03 10:02:03,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,862 - INFO - moving on ...
-2024-12-03 10:02:03,862 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 10:02:03,862 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,862 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,862 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,864 - INFO - number of orbitals:  58
-2024-12-03 10:02:03,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,864 - INFO - moving on ...
-2024-12-03 10:02:03,864 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 10:02:03,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,866 - INFO - number of orbitals:  44
-2024-12-03 10:02:03,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,866 - INFO - moving on ...
-2024-12-03 10:02:03,866 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 10:02:03,866 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,866 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,866 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,868 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,868 - INFO - moving on ...
-2024-12-03 10:02:03,868 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 10:02:03,869 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,869 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,869 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,870 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,871 - INFO - moving on ...
-2024-12-03 10:02:03,871 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 10:02:03,871 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,873 - INFO - number of orbitals:  44
-2024-12-03 10:02:03,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,873 - INFO - moving on ...
-2024-12-03 10:02:03,873 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 10:02:03,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,875 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,875 - INFO - moving on ...
-2024-12-03 10:02:03,875 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 10:02:03,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,875 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,875 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,877 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,877 - INFO - moving on ...
-2024-12-03 10:02:03,877 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 10:02:03,878 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 10:02:03,878 - INFO - problem_instance short name: h_cl_0
-2024-12-03 10:02:03,878 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,878 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 10:02:03,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,885 - INFO - number of orbitals:  23
-2024-12-03 10:02:03,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,885 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,885 - INFO - moving on ...
-2024-12-03 10:02:03,885 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 10:02:03,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,887 - INFO - number of orbitals:  89
-2024-12-03 10:02:03,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,888 - INFO - moving on ...
-2024-12-03 10:02:03,888 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 10:02:03,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,891 - INFO - number of orbitals:  48
-2024-12-03 10:02:03,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,891 - INFO - moving on ...
-2024-12-03 10:02:03,891 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 10:02:03,891 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 10:02:03,891 - INFO - problem_instance short name: n2_0
-2024-12-03 10:02:03,891 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,892 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 10:02:03,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,893 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,893 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,893 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,893 - INFO - moving on ...
-2024-12-03 10:02:03,893 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 10:02:03,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,894 - INFO - number of orbitals:  110
-2024-12-03 10:02:03,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,895 - INFO - moving on ...
-2024-12-03 10:02:03,895 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 10:02:03,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,896 - INFO - number of orbitals:  60
-2024-12-03 10:02:03,896 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,896 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,896 - INFO - moving on ...
-2024-12-03 10:02:03,896 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 10:02:03,896 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 10:02:03,896 - INFO - problem_instance short name: V_0
-2024-12-03 10:02:03,896 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,897 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 10:02:03,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,898 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,898 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,898 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,898 - INFO - moving on ...
-2024-12-03 10:02:03,898 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 10:02:03,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,899 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,900 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,900 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,900 - INFO - moving on ...
-2024-12-03 10:02:03,900 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 10:02:03,900 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 10:02:03,900 - INFO - problem_instance short name: O_0
-2024-12-03 10:02:03,900 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,900 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 10:02:03,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,901 - INFO - number of orbitals:  22
-2024-12-03 10:02:03,901 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,901 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,901 - INFO - moving on ...
-2024-12-03 10:02:03,901 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 10:02:03,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,903 - INFO - number of orbitals:  79
-2024-12-03 10:02:03,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,903 - INFO - moving on ...
-2024-12-03 10:02:03,903 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 10:02:03,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,904 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,904 - INFO - moving on ...
-2024-12-03 10:02:03,904 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 10:02:03,904 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 10:02:03,904 - INFO - problem_instance short name: c_s_0
-2024-12-03 10:02:03,904 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,904 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 10:02:03,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,906 - INFO - number of orbitals:  32
-2024-12-03 10:02:03,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,906 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,906 - INFO - moving on ...
-2024-12-03 10:02:03,906 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 10:02:03,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,907 - INFO - number of orbitals:  64
-2024-12-03 10:02:03,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,907 - INFO - moving on ...
-2024-12-03 10:02:03,907 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 10:02:03,907 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 10:02:03,907 - INFO - problem_instance short name: Mn_0
-2024-12-03 10:02:03,907 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,907 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 10:02:03,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,909 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,909 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,909 - INFO - moving on ...
-2024-12-03 10:02:03,909 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 10:02:03,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,910 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,910 - INFO - moving on ...
-2024-12-03 10:02:03,910 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 10:02:03,910 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 10:02:03,910 - INFO - problem_instance short name: VO_0
-2024-12-03 10:02:03,910 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,910 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 10:02:03,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,911 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,912 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,912 - INFO - moving on ...
-2024-12-03 10:02:03,912 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 10:02:03,912 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 10:02:03,912 - INFO - problem_instance short name: ru_macho
-2024-12-03 10:02:03,912 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,912 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 10:02:03,912 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,912 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,912 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,914 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,914 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,914 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 10:02:03,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 10:02:03,914 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 10:02:03,921 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,921 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,921 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 10:02:03,921 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,921 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,921 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,923 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,923 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,923 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 10:02:03,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 10:02:03,924 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 10:02:03,929 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,930 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,930 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 10:02:03,930 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,930 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,930 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,932 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,932 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,932 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 10:02:03,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 10:02:03,932 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 10:02:03,938 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,938 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,938 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 10:02:03,938 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,938 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,938 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,941 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:03,941 - INFO - number of supporting files: 1
-2024-12-03 10:02:03,941 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 10:02:03,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 10:02:03,942 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 10:02:03,948 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:03,948 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:03,948 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 10:02:03,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,950 - INFO - number of orbitals:  33
-2024-12-03 10:02:03,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,950 - INFO - moving on ...
-2024-12-03 10:02:03,951 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 10:02:03,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,952 - INFO - number of orbitals:  23
-2024-12-03 10:02:03,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,953 - INFO - moving on ...
-2024-12-03 10:02:03,953 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 10:02:03,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,954 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,954 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,955 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,955 - INFO - moving on ...
-2024-12-03 10:02:03,955 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 10:02:03,955 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,955 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,955 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,956 - INFO - number of orbitals:  21
-2024-12-03 10:02:03,957 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,957 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,957 - INFO - moving on ...
-2024-12-03 10:02:03,957 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 10:02:03,957 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,957 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,957 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,959 - INFO - number of orbitals:  42
-2024-12-03 10:02:03,959 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,959 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,959 - INFO - moving on ...
-2024-12-03 10:02:03,959 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 10:02:03,959 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 10:02:03,959 - INFO - problem_instance short name: ScO_0
-2024-12-03 10:02:03,959 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,959 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 10:02:03,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,960 - INFO - number of orbitals:  76
-2024-12-03 10:02:03,960 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,960 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,960 - INFO - moving on ...
-2024-12-03 10:02:03,960 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 10:02:03,961 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 10:02:03,961 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 10:02:03,961 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,961 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 10:02:03,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,961 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,961 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,963 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,963 - INFO - moving on ...
-2024-12-03 10:02:03,963 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 10:02:03,963 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,963 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,963 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,965 - INFO - number of orbitals:  70
-2024-12-03 10:02:03,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,965 - INFO - moving on ...
-2024-12-03 10:02:03,965 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 10:02:03,965 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,965 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,965 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,967 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,967 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,967 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,967 - INFO - moving on ...
-2024-12-03 10:02:03,967 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 10:02:03,967 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,967 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,967 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,969 - INFO - number of orbitals:  69
-2024-12-03 10:02:03,969 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,969 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,969 - INFO - moving on ...
-2024-12-03 10:02:03,969 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 10:02:03,969 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,971 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,971 - INFO - moving on ...
-2024-12-03 10:02:03,971 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 10:02:03,971 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,971 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,972 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,973 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,973 - INFO - moving on ...
-2024-12-03 10:02:03,973 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 10:02:03,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,973 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,973 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,975 - INFO - number of orbitals:  55
-2024-12-03 10:02:03,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,975 - INFO - moving on ...
-2024-12-03 10:02:03,975 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 10:02:03,975 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,975 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,975 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,976 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,977 - INFO - number of orbitals:  69
-2024-12-03 10:02:03,977 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,977 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,977 - INFO - moving on ...
-2024-12-03 10:02:03,977 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 10:02:03,977 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,977 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,977 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,979 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,979 - INFO - moving on ...
-2024-12-03 10:02:03,979 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 10:02:03,979 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,979 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,979 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,981 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,981 - INFO - moving on ...
-2024-12-03 10:02:03,981 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 10:02:03,981 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,983 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,983 - INFO - moving on ...
-2024-12-03 10:02:03,983 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 10:02:03,983 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,983 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,983 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,985 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,985 - INFO - moving on ...
-2024-12-03 10:02:03,985 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 10:02:03,985 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,987 - INFO - number of orbitals:  31
-2024-12-03 10:02:03,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,987 - INFO - moving on ...
-2024-12-03 10:02:03,987 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 10:02:03,987 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,987 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,987 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,989 - INFO - number of orbitals:  45
-2024-12-03 10:02:03,989 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,989 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,989 - INFO - moving on ...
-2024-12-03 10:02:03,989 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 10:02:03,989 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,989 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,989 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,990 - INFO - number of orbitals:  25
-2024-12-03 10:02:03,991 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,991 - INFO - moving on ...
-2024-12-03 10:02:03,991 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 10:02:03,991 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:03,991 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:03,991 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:03,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,992 - INFO - number of orbitals:  39
-2024-12-03 10:02:03,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,992 - INFO - moving on ...
-2024-12-03 10:02:03,992 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 10:02:03,993 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 10:02:03,993 - INFO - problem_instance short name: Cu_0
-2024-12-03 10:02:03,993 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,993 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 10:02:03,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,994 - INFO - number of orbitals:  54
-2024-12-03 10:02:03,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,994 - INFO - moving on ...
-2024-12-03 10:02:03,994 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 10:02:03,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,995 - INFO - number of orbitals:  88
-2024-12-03 10:02:03,995 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,995 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,996 - INFO - moving on ...
-2024-12-03 10:02:03,996 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 10:02:03,996 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 10:02:03,996 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 10:02:03,996 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:03,996 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 10:02:03,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,997 - INFO - number of orbitals:  28
-2024-12-03 10:02:03,997 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,997 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,997 - INFO - moving on ...
-2024-12-03 10:02:03,997 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 10:02:03,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:03,998 - INFO - number of orbitals:  119
-2024-12-03 10:02:03,998 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:03,998 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:03,998 - INFO - moving on ...
-2024-12-03 10:02:03,998 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 10:02:03,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,000 - INFO - number of orbitals:  62
-2024-12-03 10:02:04,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,000 - INFO - moving on ...
-2024-12-03 10:02:04,000 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 10:02:04,000 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 10:02:04,000 - INFO - problem_instance short name: Ti_1
-2024-12-03 10:02:04,000 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,000 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 10:02:04,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,001 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,001 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,001 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,001 - INFO - moving on ...
-2024-12-03 10:02:04,001 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 10:02:04,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,002 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,003 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,003 - INFO - moving on ...
-2024-12-03 10:02:04,003 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 10:02:04,003 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 10:02:04,003 - INFO - problem_instance short name: Mn_1
-2024-12-03 10:02:04,003 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,003 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 10:02:04,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,004 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,004 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,004 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,004 - INFO - moving on ...
-2024-12-03 10:02:04,004 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 10:02:04,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,005 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,005 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,005 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,005 - INFO - moving on ...
-2024-12-03 10:02:04,005 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 10:02:04,006 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 10:02:04,006 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 10:02:04,006 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,006 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 10:02:04,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,007 - INFO - number of orbitals:  24
-2024-12-03 10:02:04,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,007 - INFO - moving on ...
-2024-12-03 10:02:04,007 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 10:02:04,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,009 - INFO - number of orbitals:  115
-2024-12-03 10:02:04,009 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,009 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,009 - INFO - moving on ...
-2024-12-03 10:02:04,009 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 10:02:04,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,010 - INFO - number of orbitals:  58
-2024-12-03 10:02:04,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,010 - INFO - moving on ...
-2024-12-03 10:02:04,010 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 10:02:04,010 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 10:02:04,010 - INFO - problem_instance short name: si_o_0
-2024-12-03 10:02:04,010 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,010 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 10:02:04,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,012 - INFO - number of orbitals:  32
-2024-12-03 10:02:04,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,012 - INFO - moving on ...
-2024-12-03 10:02:04,012 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 10:02:04,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,013 - INFO - number of orbitals:  114
-2024-12-03 10:02:04,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,013 - INFO - moving on ...
-2024-12-03 10:02:04,013 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 10:02:04,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,015 - INFO - number of orbitals:  64
-2024-12-03 10:02:04,015 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,015 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,015 - INFO - moving on ...
-2024-12-03 10:02:04,015 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 10:02:04,015 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 10:02:04,015 - INFO - problem_instance short name: h2_s_0
-2024-12-03 10:02:04,015 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,015 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 10:02:04,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,016 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,016 - INFO - moving on ...
-2024-12-03 10:02:04,017 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 10:02:04,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,018 - INFO - number of orbitals:  119
-2024-12-03 10:02:04,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,018 - INFO - moving on ...
-2024-12-03 10:02:04,018 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 10:02:04,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,019 - INFO - number of orbitals:  62
-2024-12-03 10:02:04,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,019 - INFO - moving on ...
-2024-12-03 10:02:04,019 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 10:02:04,019 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 10:02:04,019 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 10:02:04,019 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,019 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 10:02:04,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,021 - INFO - number of orbitals:  48
-2024-12-03 10:02:04,021 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,021 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,021 - INFO - moving on ...
-2024-12-03 10:02:04,021 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 10:02:04,021 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 10:02:04,021 - INFO - problem_instance short name: c_o2_0
-2024-12-03 10:02:04,021 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,021 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 10:02:04,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,022 - INFO - number of orbitals:  42
-2024-12-03 10:02:04,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,022 - INFO - moving on ...
-2024-12-03 10:02:04,022 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 10:02:04,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,024 - INFO - number of orbitals:  90
-2024-12-03 10:02:04,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,024 - INFO - moving on ...
-2024-12-03 10:02:04,024 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 10:02:04,024 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 10:02:04,024 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 10:02:04,024 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,024 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 10:02:04,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,025 - INFO - number of orbitals:  30
-2024-12-03 10:02:04,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,025 - INFO - moving on ...
-2024-12-03 10:02:04,025 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 10:02:04,026 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 10:02:04,026 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 10:02:04,026 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,026 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 10:02:04,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,027 - INFO - number of orbitals:  48
-2024-12-03 10:02:04,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,027 - INFO - moving on ...
-2024-12-03 10:02:04,027 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 10:02:04,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,028 - INFO - number of orbitals:  116
-2024-12-03 10:02:04,028 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,028 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,028 - INFO - moving on ...
-2024-12-03 10:02:04,028 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 10:02:04,028 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 10:02:04,028 - INFO - problem_instance short name: be_0
-2024-12-03 10:02:04,028 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,028 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 10:02:04,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,030 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,030 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,030 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 10:02:04,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 10:02:04,030 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 10:02:04,035 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,036 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,036 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 10:02:04,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 10:02:04,036 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,036 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 10:02:04,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,038 - INFO - number of orbitals:  55
-2024-12-03 10:02:04,038 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,038 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,038 - INFO - moving on ...
-2024-12-03 10:02:04,038 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 10:02:04,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,039 - INFO - number of orbitals:  30
-2024-12-03 10:02:04,039 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,039 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,039 - INFO - moving on ...
-2024-12-03 10:02:04,039 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 10:02:04,039 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 10:02:04,039 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 10:02:04,039 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,039 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 10:02:04,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,041 - INFO - number of orbitals:  66
-2024-12-03 10:02:04,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,041 - INFO - moving on ...
-2024-12-03 10:02:04,041 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 10:02:04,041 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 10:02:04,041 - INFO - problem_instance short name: blue_dimer
-2024-12-03 10:02:04,041 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,041 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 10:02:04,041 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,042 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,042 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,043 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,043 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,043 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 10:02:04,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 10:02:04,043 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 10:02:04,049 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,050 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,050 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 10:02:04,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,052 - INFO - number of orbitals:  22
-2024-12-03 10:02:04,052 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,052 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,052 - INFO - moving on ...
-2024-12-03 10:02:04,052 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 10:02:04,052 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,054 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,054 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,054 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,054 - INFO - moving on ...
-2024-12-03 10:02:04,054 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 10:02:04,054 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,054 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,054 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,055 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,056 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,056 - INFO - moving on ...
-2024-12-03 10:02:04,056 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 10:02:04,056 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,058 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,058 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,058 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 10:02:04,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 10:02:04,058 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 10:02:04,064 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,064 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,064 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 10:02:04,065 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,065 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,065 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,067 - INFO - number of orbitals:  22
-2024-12-03 10:02:04,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,067 - INFO - moving on ...
-2024-12-03 10:02:04,067 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 10:02:04,067 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,067 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,067 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,069 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,069 - INFO - moving on ...
-2024-12-03 10:02:04,069 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 10:02:04,069 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,069 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,069 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,071 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,072 - INFO - moving on ...
-2024-12-03 10:02:04,072 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 10:02:04,072 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,072 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,072 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,074 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,074 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,074 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 10:02:04,074 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 10:02:04,074 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 10:02:04,080 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,080 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,080 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 10:02:04,080 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,080 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,080 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,082 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,082 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,082 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,083 - INFO - moving on ...
-2024-12-03 10:02:04,083 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 10:02:04,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,085 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,085 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,085 - INFO - moving on ...
-2024-12-03 10:02:04,085 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 10:02:04,085 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,085 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,085 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,087 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,087 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,087 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,087 - INFO - moving on ...
-2024-12-03 10:02:04,087 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 10:02:04,087 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 10:02:04,087 - INFO - problem_instance short name: TiO_0
-2024-12-03 10:02:04,087 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,087 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 10:02:04,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,089 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,089 - INFO - moving on ...
-2024-12-03 10:02:04,089 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 10:02:04,089 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 10:02:04,089 - INFO - problem_instance short name: mo2_n2
-2024-12-03 10:02:04,089 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,089 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 10:02:04,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,091 - INFO - number of orbitals:  69
-2024-12-03 10:02:04,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,092 - INFO - moving on ...
-2024-12-03 10:02:04,092 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 10:02:04,092 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,092 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,092 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,094 - INFO - number of orbitals:  70
-2024-12-03 10:02:04,094 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,094 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,094 - INFO - moving on ...
-2024-12-03 10:02:04,094 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 10:02:04,094 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,094 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,094 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,095 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,096 - INFO - number of orbitals:  69
-2024-12-03 10:02:04,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,096 - INFO - moving on ...
-2024-12-03 10:02:04,096 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 10:02:04,096 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 10:02:04,096 - INFO - problem_instance short name: Cr_0
-2024-12-03 10:02:04,096 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,096 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 10:02:04,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,098 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,098 - INFO - moving on ...
-2024-12-03 10:02:04,098 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 10:02:04,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,099 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,099 - INFO - moving on ...
-2024-12-03 10:02:04,099 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 10:02:04,100 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 10:02:04,100 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 10:02:04,100 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,100 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 10:02:04,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,101 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,101 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,101 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 10:02:04,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 10:02:04,102 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 10:02:04,108 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,108 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,108 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 10:02:04,108 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 10:02:04,108 - INFO - problem_instance short name: p_h3_0
-2024-12-03 10:02:04,109 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,109 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 10:02:04,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,110 - INFO - number of orbitals:  33
-2024-12-03 10:02:04,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,110 - INFO - moving on ...
-2024-12-03 10:02:04,110 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 10:02:04,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,112 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,112 - INFO - moving on ...
-2024-12-03 10:02:04,112 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 10:02:04,112 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 10:02:04,112 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 10:02:04,112 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,112 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 10:02:04,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,114 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,114 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,114 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,114 - INFO - moving on ...
-2024-12-03 10:02:04,114 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 10:02:04,114 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 10:02:04,114 - INFO - problem_instance short name: li2_0
-2024-12-03 10:02:04,114 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,114 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 10:02:04,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,116 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,116 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,116 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,116 - INFO - moving on ...
-2024-12-03 10:02:04,116 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 10:02:04,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,117 - INFO - number of orbitals:  110
-2024-12-03 10:02:04,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,117 - INFO - moving on ...
-2024-12-03 10:02:04,118 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 10:02:04,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,119 - INFO - number of orbitals:  60
-2024-12-03 10:02:04,119 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,119 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,119 - INFO - moving on ...
-2024-12-03 10:02:04,119 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 10:02:04,119 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 10:02:04,119 - INFO - problem_instance short name: O_1
-2024-12-03 10:02:04,119 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,119 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 10:02:04,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,120 - INFO - number of orbitals:  22
-2024-12-03 10:02:04,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,120 - INFO - moving on ...
-2024-12-03 10:02:04,121 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 10:02:04,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,122 - INFO - number of orbitals:  79
-2024-12-03 10:02:04,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,122 - INFO - moving on ...
-2024-12-03 10:02:04,122 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 10:02:04,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,123 - INFO - number of orbitals:  45
-2024-12-03 10:02:04,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,123 - INFO - moving on ...
-2024-12-03 10:02:04,123 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 10:02:04,123 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 10:02:04,123 - INFO - problem_instance short name: Cu_1
-2024-12-03 10:02:04,123 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,123 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 10:02:04,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,125 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,125 - INFO - moving on ...
-2024-12-03 10:02:04,125 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 10:02:04,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,126 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,126 - INFO - moving on ...
-2024-12-03 10:02:04,126 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 10:02:04,126 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 10:02:04,126 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 10:02:04,126 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,126 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 10:02:04,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,128 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,128 - INFO - moving on ...
-2024-12-03 10:02:04,128 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 10:02:04,128 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 10:02:04,128 - INFO - problem_instance short name: FeO_0
-2024-12-03 10:02:04,128 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,128 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 10:02:04,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,129 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,130 - INFO - moving on ...
-2024-12-03 10:02:04,130 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 10:02:04,130 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 10:02:04,130 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 10:02:04,130 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,130 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 10:02:04,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,131 - INFO - number of orbitals:  38
-2024-12-03 10:02:04,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,131 - INFO - moving on ...
-2024-12-03 10:02:04,131 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 10:02:04,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,132 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,132 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,132 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,133 - INFO - moving on ...
-2024-12-03 10:02:04,133 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 10:02:04,133 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 10:02:04,133 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 10:02:04,133 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,133 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 10:02:04,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,134 - INFO - number of orbitals:  33
-2024-12-03 10:02:04,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,134 - INFO - moving on ...
-2024-12-03 10:02:04,134 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 10:02:04,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,135 - INFO - number of orbitals:  74
-2024-12-03 10:02:04,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,136 - INFO - moving on ...
-2024-12-03 10:02:04,136 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 10:02:04,136 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 10:02:04,136 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 10:02:04,136 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,136 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 10:02:04,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,137 - INFO - number of orbitals:  69
-2024-12-03 10:02:04,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,137 - INFO - moving on ...
-2024-12-03 10:02:04,137 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 10:02:04,138 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 10:02:04,138 - INFO - problem_instance short name: na2_0
-2024-12-03 10:02:04,138 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,138 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 10:02:04,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,139 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,139 - INFO - moving on ...
-2024-12-03 10:02:04,139 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 10:02:04,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,140 - INFO - number of orbitals:  118
-2024-12-03 10:02:04,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,141 - INFO - moving on ...
-2024-12-03 10:02:04,141 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 10:02:04,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,142 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,142 - INFO - moving on ...
-2024-12-03 10:02:04,142 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 10:02:04,142 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 10:02:04,142 - INFO - problem_instance short name: Fe_0
-2024-12-03 10:02:04,142 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,142 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 10:02:04,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,143 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,144 - INFO - moving on ...
-2024-12-03 10:02:04,144 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 10:02:04,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,145 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,145 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,145 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,145 - INFO - moving on ...
-2024-12-03 10:02:04,145 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 10:02:04,145 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 10:02:04,145 - INFO - problem_instance short name: MnO_0
-2024-12-03 10:02:04,145 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,145 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 10:02:04,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,146 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,146 - INFO - moving on ...
-2024-12-03 10:02:04,146 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 10:02:04,147 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 10:02:04,147 - INFO - problem_instance short name: f2_0
-2024-12-03 10:02:04,147 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,147 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 10:02:04,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,148 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,148 - INFO - moving on ...
-2024-12-03 10:02:04,148 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 10:02:04,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,149 - INFO - number of orbitals:  110
-2024-12-03 10:02:04,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,149 - INFO - moving on ...
-2024-12-03 10:02:04,149 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 10:02:04,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,151 - INFO - number of orbitals:  60
-2024-12-03 10:02:04,151 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,151 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,151 - INFO - moving on ...
-2024-12-03 10:02:04,151 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 10:02:04,151 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 10:02:04,151 - INFO - problem_instance short name: CrO_0
-2024-12-03 10:02:04,151 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,151 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 10:02:04,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,152 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,152 - INFO - moving on ...
-2024-12-03 10:02:04,152 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 10:02:04,153 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 10:02:04,153 - INFO - problem_instance short name: ozone
-2024-12-03 10:02:04,153 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,153 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 10:02:04,153 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,153 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,153 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,155 - INFO - number of orbitals:  42
-2024-12-03 10:02:04,155 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,155 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,155 - INFO - moving on ...
-2024-12-03 10:02:04,155 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 10:02:04,155 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,155 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,155 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,157 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,157 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,157 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 10:02:04,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 10:02:04,157 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 10:02:04,163 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,164 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,164 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 10:02:04,164 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,164 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,164 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,166 - INFO - number of orbitals:  90
-2024-12-03 10:02:04,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,166 - INFO - moving on ...
-2024-12-03 10:02:04,166 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 10:02:04,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,168 - INFO - number of orbitals:  42
-2024-12-03 10:02:04,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,168 - INFO - moving on ...
-2024-12-03 10:02:04,168 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 10:02:04,168 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,168 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,168 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,170 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,170 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,170 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 10:02:04,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 10:02:04,170 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 10:02:04,176 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,177 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,177 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 10:02:04,177 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,177 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,177 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,179 - INFO - number of orbitals:  90
-2024-12-03 10:02:04,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,179 - INFO - moving on ...
-2024-12-03 10:02:04,179 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 10:02:04,179 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 10:02:04,179 - INFO - problem_instance short name: Cr_1
-2024-12-03 10:02:04,179 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,179 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 10:02:04,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,180 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,181 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,181 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,181 - INFO - moving on ...
-2024-12-03 10:02:04,181 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 10:02:04,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,182 - INFO - number of orbitals:  135
-2024-12-03 10:02:04,182 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,182 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,182 - INFO - moving on ...
-2024-12-03 10:02:04,182 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 10:02:04,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,183 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,183 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,183 - INFO - moving on ...
-2024-12-03 10:02:04,183 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 10:02:04,183 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 10:02:04,184 - INFO - problem_instance short name: c_o_0
-2024-12-03 10:02:04,184 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,184 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 10:02:04,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,185 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,185 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,185 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,185 - INFO - moving on ...
-2024-12-03 10:02:04,185 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 10:02:04,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,186 - INFO - number of orbitals:  110
-2024-12-03 10:02:04,186 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,186 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,186 - INFO - moving on ...
-2024-12-03 10:02:04,186 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 10:02:04,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,187 - INFO - number of orbitals:  60
-2024-12-03 10:02:04,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,188 - INFO - moving on ...
-2024-12-03 10:02:04,188 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 10:02:04,188 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 10:02:04,188 - INFO - problem_instance short name: cr_dimer
-2024-12-03 10:02:04,188 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,188 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 10:02:04,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,190 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,190 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,190 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 10:02:04,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 10:02:04,190 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 10:02:04,195 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,196 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,196 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 10:02:04,196 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,196 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,196 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,198 - INFO - number of orbitals:  26
-2024-12-03 10:02:04,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,198 - INFO - moving on ...
-2024-12-03 10:02:04,198 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 10:02:04,198 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,198 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,198 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,200 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,200 - INFO - moving on ...
-2024-12-03 10:02:04,200 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 10:02:04,200 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,200 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,200 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,202 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,202 - INFO - moving on ...
-2024-12-03 10:02:04,202 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 10:02:04,202 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,204 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,204 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,204 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 10:02:04,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 10:02:04,204 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 10:02:04,210 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,210 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,210 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 10:02:04,210 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,210 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,210 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,212 - INFO - number of orbitals:  26
-2024-12-03 10:02:04,212 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,212 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,212 - INFO - moving on ...
-2024-12-03 10:02:04,212 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 10:02:04,212 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,212 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,212 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,214 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,214 - INFO - moving on ...
-2024-12-03 10:02:04,214 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 10:02:04,214 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,216 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,216 - INFO - moving on ...
-2024-12-03 10:02:04,216 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 10:02:04,216 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,216 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,216 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,218 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,218 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,218 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 10:02:04,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 10:02:04,218 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 10:02:04,224 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,224 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,224 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 10:02:04,224 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,224 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,224 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,226 - INFO - number of orbitals:  26
-2024-12-03 10:02:04,226 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,226 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,226 - INFO - moving on ...
-2024-12-03 10:02:04,226 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 10:02:04,227 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,227 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,227 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,229 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,229 - INFO - moving on ...
-2024-12-03 10:02:04,229 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 10:02:04,229 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,229 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,229 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,231 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,231 - INFO - moving on ...
-2024-12-03 10:02:04,231 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 10:02:04,231 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 10:02:04,232 - INFO - problem_instance short name: mo_n2
-2024-12-03 10:02:04,232 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,232 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 10:02:04,232 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,232 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,232 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,234 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,234 - INFO - moving on ...
-2024-12-03 10:02:04,234 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 10:02:04,234 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,234 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,234 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,236 - INFO - number of orbitals:  46
-2024-12-03 10:02:04,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,236 - INFO - moving on ...
-2024-12-03 10:02:04,236 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 10:02:04,236 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,236 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,236 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,238 - INFO - number of orbitals:  46
-2024-12-03 10:02:04,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,238 - INFO - moving on ...
-2024-12-03 10:02:04,238 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 10:02:04,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,240 - INFO - number of orbitals:  30
-2024-12-03 10:02:04,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,240 - INFO - moving on ...
-2024-12-03 10:02:04,240 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 10:02:04,240 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 10:02:04,240 - INFO - problem_instance short name: h2_o_0
-2024-12-03 10:02:04,240 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,240 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 10:02:04,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,242 - INFO - number of orbitals:  24
-2024-12-03 10:02:04,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,242 - INFO - moving on ...
-2024-12-03 10:02:04,242 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 10:02:04,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,243 - INFO - number of orbitals:  115
-2024-12-03 10:02:04,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,243 - INFO - moving on ...
-2024-12-03 10:02:04,243 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 10:02:04,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,244 - INFO - number of orbitals:  58
-2024-12-03 10:02:04,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,245 - INFO - moving on ...
-2024-12-03 10:02:04,245 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 10:02:04,245 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 10:02:04,245 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 10:02:04,245 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,245 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 10:02:04,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,246 - INFO - number of orbitals:  70
-2024-12-03 10:02:04,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,246 - INFO - moving on ...
-2024-12-03 10:02:04,246 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 10:02:04,246 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 10:02:04,246 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 10:02:04,246 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,247 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 10:02:04,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,248 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,248 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,248 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 10:02:04,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 10:02:04,248 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 10:02:04,253 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,254 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,254 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 10:02:04,254 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 10:02:04,254 - INFO - problem_instance short name: li_f_0
-2024-12-03 10:02:04,254 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,254 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 10:02:04,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,256 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,256 - INFO - moving on ...
-2024-12-03 10:02:04,256 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 10:02:04,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,258 - INFO - number of orbitals:  110
-2024-12-03 10:02:04,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,258 - INFO - moving on ...
-2024-12-03 10:02:04,258 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 10:02:04,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,259 - INFO - number of orbitals:  60
-2024-12-03 10:02:04,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,259 - INFO - moving on ...
-2024-12-03 10:02:04,259 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 10:02:04,260 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 10:02:04,260 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 10:02:04,260 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,260 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 10:02:04,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,261 - INFO - number of orbitals:  52
-2024-12-03 10:02:04,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,261 - INFO - moving on ...
-2024-12-03 10:02:04,261 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 10:02:04,261 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 10:02:04,261 - INFO - problem_instance short name: h_f_0
-2024-12-03 10:02:04,261 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,261 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 10:02:04,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,263 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,263 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,263 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 10:02:04,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 10:02:04,263 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 10:02:04,269 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,269 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,269 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 10:02:04,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 10:02:04,270 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,270 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 10:02:04,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,271 - INFO - number of orbitals:  85
-2024-12-03 10:02:04,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,271 - INFO - moving on ...
-2024-12-03 10:02:04,271 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 10:02:04,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,273 - INFO - number of orbitals:  44
-2024-12-03 10:02:04,273 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,273 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,273 - INFO - moving on ...
-2024-12-03 10:02:04,273 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 10:02:04,273 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 10:02:04,273 - INFO - problem_instance short name: c_h4_0
-2024-12-03 10:02:04,273 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,273 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 10:02:04,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,274 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,274 - INFO - moving on ...
-2024-12-03 10:02:04,275 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 10:02:04,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,276 - INFO - number of orbitals:  86
-2024-12-03 10:02:04,276 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,276 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,276 - INFO - moving on ...
-2024-12-03 10:02:04,276 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 10:02:04,276 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 10:02:04,277 - INFO - problem_instance short name: mn_mono
-2024-12-03 10:02:04,277 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,277 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 10:02:04,277 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,277 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,277 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,279 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,279 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,279 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 10:02:04,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 10:02:04,279 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 10:02:04,285 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,286 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,286 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 10:02:04,286 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,286 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,286 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,288 - INFO - number of orbitals:  30
-2024-12-03 10:02:04,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,288 - INFO - moving on ...
-2024-12-03 10:02:04,288 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 10:02:04,288 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,288 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,288 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,290 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,290 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,291 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 10:02:04,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 10:02:04,291 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 10:02:04,297 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,297 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,297 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 10:02:04,297 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,297 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,297 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,299 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,300 - INFO - moving on ...
-2024-12-03 10:02:04,300 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 10:02:04,300 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,300 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,300 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,301 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,302 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,302 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 10:02:04,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 10:02:04,302 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 10:02:04,308 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,308 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,308 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 10:02:04,308 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,308 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,308 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,310 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,310 - INFO - moving on ...
-2024-12-03 10:02:04,310 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 10:02:04,310 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,310 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,310 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,312 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,312 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,312 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 10:02:04,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 10:02:04,312 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 10:02:04,318 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,318 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,318 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 10:02:04,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,318 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,318 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,320 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,321 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,321 - INFO - moving on ...
-2024-12-03 10:02:04,321 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 10:02:04,321 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 10:02:04,321 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 10:02:04,321 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,321 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 10:02:04,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,322 - INFO - number of orbitals:  38
-2024-12-03 10:02:04,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,322 - INFO - moving on ...
-2024-12-03 10:02:04,323 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 10:02:04,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,324 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,324 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,324 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,324 - INFO - moving on ...
-2024-12-03 10:02:04,324 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 10:02:04,324 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 10:02:04,324 - INFO - problem_instance short name: si_h4_0
-2024-12-03 10:02:04,324 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,324 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 10:02:04,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,326 - INFO - number of orbitals:  38
-2024-12-03 10:02:04,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,326 - INFO - moving on ...
-2024-12-03 10:02:04,326 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 10:02:04,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,327 - INFO - number of orbitals:  90
-2024-12-03 10:02:04,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,327 - INFO - moving on ...
-2024-12-03 10:02:04,327 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 10:02:04,327 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 10:02:04,327 - INFO - problem_instance short name: li_h_0
-2024-12-03 10:02:04,327 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,327 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 10:02:04,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,329 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,329 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,329 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 10:02:04,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 10:02:04,329 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 10:02:04,335 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,335 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,335 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 10:02:04,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 10:02:04,335 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,335 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 10:02:04,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,337 - INFO - number of orbitals:  85
-2024-12-03 10:02:04,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,337 - INFO - moving on ...
-2024-12-03 10:02:04,337 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 10:02:04,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,339 - INFO - number of orbitals:  44
-2024-12-03 10:02:04,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,339 - INFO - moving on ...
-2024-12-03 10:02:04,339 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 10:02:04,339 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 10:02:04,339 - INFO - problem_instance short name: p2_0
-2024-12-03 10:02:04,339 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,339 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 10:02:04,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,341 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,341 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,341 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,341 - INFO - moving on ...
-2024-12-03 10:02:04,341 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 10:02:04,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,342 - INFO - number of orbitals:  118
-2024-12-03 10:02:04,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,343 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,343 - INFO - moving on ...
-2024-12-03 10:02:04,343 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 10:02:04,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,344 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,344 - INFO - moving on ...
-2024-12-03 10:02:04,344 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 10:02:04,344 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 10:02:04,344 - INFO - problem_instance short name: na_cl_0
-2024-12-03 10:02:04,345 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,345 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 10:02:04,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,346 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,346 - INFO - moving on ...
-2024-12-03 10:02:04,346 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 10:02:04,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,348 - INFO - number of orbitals:  118
-2024-12-03 10:02:04,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,348 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,348 - INFO - moving on ...
-2024-12-03 10:02:04,348 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 10:02:04,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,349 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-03 10:02:04,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,349 - INFO - moving on ...
-2024-12-03 10:02:04,349 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 10:02:04,350 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 10:02:04,350 - INFO - problem_instance short name: ScO_0
-2024-12-03 10:02:04,350 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,350 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 10:02:04,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,351 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,351 - INFO - moving on ...
-2024-12-03 10:02:04,351 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 10:02:04,352 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 10:02:04,352 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 10:02:04,352 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,352 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 10:02:04,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,353 - INFO - number of orbitals:  69
-2024-12-03 10:02:04,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,353 - INFO - moving on ...
-2024-12-03 10:02:04,353 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 10:02:04,353 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 10:02:04,353 - INFO - problem_instance short name: ozone
-2024-12-03 10:02:04,353 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,353 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 10:02:04,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,354 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,354 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,356 - INFO - number of orbitals:  42
-2024-12-03 10:02:04,356 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,356 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,356 - INFO - moving on ...
-2024-12-03 10:02:04,356 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 10:02:04,356 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,356 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,356 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,358 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,358 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,358 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 10:02:04,358 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 10:02:04,358 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 10:02:04,365 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,365 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,365 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 10:02:04,365 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,365 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,365 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,367 - INFO - number of orbitals:  90
-2024-12-03 10:02:04,367 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,367 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,367 - INFO - moving on ...
-2024-12-03 10:02:04,367 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 10:02:04,367 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,368 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,368 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,369 - INFO - number of orbitals:  42
-2024-12-03 10:02:04,369 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,369 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,370 - INFO - moving on ...
-2024-12-03 10:02:04,370 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 10:02:04,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,371 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,372 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,372 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 10:02:04,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 10:02:04,372 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 10:02:04,377 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,378 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,378 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 10:02:04,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,380 - INFO - number of orbitals:  90
-2024-12-03 10:02:04,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,380 - INFO - moving on ...
-2024-12-03 10:02:04,380 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 10:02:04,380 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 10:02:04,380 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 10:02:04,380 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,380 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 10:02:04,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,382 - INFO - number of orbitals:  48
-2024-12-03 10:02:04,382 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,382 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,382 - INFO - moving on ...
-2024-12-03 10:02:04,382 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 10:02:04,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,383 - INFO - number of orbitals:  116
-2024-12-03 10:02:04,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,383 - INFO - moving on ...
-2024-12-03 10:02:04,383 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 10:02:04,384 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 10:02:04,384 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 10:02:04,384 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,384 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 10:02:04,384 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,384 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,384 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,386 - INFO - number of orbitals:  55
-2024-12-03 10:02:04,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,386 - INFO - moving on ...
-2024-12-03 10:02:04,386 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 10:02:04,386 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,388 - INFO - number of orbitals:  70
-2024-12-03 10:02:04,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,388 - INFO - moving on ...
-2024-12-03 10:02:04,388 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 10:02:04,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,389 - INFO - number of orbitals:  55
-2024-12-03 10:02:04,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,390 - INFO - moving on ...
-2024-12-03 10:02:04,390 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 10:02:04,390 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,390 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,390 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,391 - INFO - number of orbitals:  69
-2024-12-03 10:02:04,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,392 - INFO - moving on ...
-2024-12-03 10:02:04,392 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 10:02:04,392 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,392 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,392 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,393 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,393 - INFO - moving on ...
-2024-12-03 10:02:04,394 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 10:02:04,394 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,395 - INFO - number of orbitals:  45
-2024-12-03 10:02:04,395 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,395 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,395 - INFO - moving on ...
-2024-12-03 10:02:04,395 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 10:02:04,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,397 - INFO - number of orbitals:  55
-2024-12-03 10:02:04,397 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,397 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,397 - INFO - moving on ...
-2024-12-03 10:02:04,397 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 10:02:04,398 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,398 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,398 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,399 - INFO - number of orbitals:  69
-2024-12-03 10:02:04,399 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,399 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,399 - INFO - moving on ...
-2024-12-03 10:02:04,399 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 10:02:04,399 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,399 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,399 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,401 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,401 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,401 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,401 - INFO - moving on ...
-2024-12-03 10:02:04,401 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 10:02:04,401 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,401 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,403 - INFO - number of orbitals:  45
-2024-12-03 10:02:04,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,403 - INFO - moving on ...
-2024-12-03 10:02:04,403 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 10:02:04,403 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,403 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,403 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,405 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,405 - INFO - moving on ...
-2024-12-03 10:02:04,405 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 10:02:04,405 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,405 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,405 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,407 - INFO - number of orbitals:  45
-2024-12-03 10:02:04,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,407 - INFO - moving on ...
-2024-12-03 10:02:04,407 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 10:02:04,407 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,407 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,407 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,408 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,409 - INFO - moving on ...
-2024-12-03 10:02:04,409 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 10:02:04,409 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,409 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,409 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,410 - INFO - number of orbitals:  45
-2024-12-03 10:02:04,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,410 - INFO - moving on ...
-2024-12-03 10:02:04,410 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 10:02:04,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,412 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,412 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,412 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 10:02:04,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 10:02:04,412 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 10:02:04,418 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,418 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,419 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 10:02:04,419 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,421 - INFO - number of orbitals:  39
-2024-12-03 10:02:04,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,421 - INFO - moving on ...
-2024-12-03 10:02:04,421 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 10:02:04,421 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 10:02:04,421 - INFO - problem_instance short name: O_1
-2024-12-03 10:02:04,421 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,421 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 10:02:04,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,422 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,422 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,422 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 10:02:04,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 10:02:04,423 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 10:02:04,429 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,429 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,429 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 10:02:04,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 10:02:04,429 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,429 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 10:02:04,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,431 - INFO - number of orbitals:  79
-2024-12-03 10:02:04,431 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,431 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,431 - INFO - moving on ...
-2024-12-03 10:02:04,431 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 10:02:04,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,432 - INFO - number of orbitals:  45
-2024-12-03 10:02:04,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,432 - INFO - moving on ...
-2024-12-03 10:02:04,432 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 10:02:04,433 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 10:02:04,433 - INFO - problem_instance short name: mn_mono
-2024-12-03 10:02:04,433 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,433 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 10:02:04,433 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,433 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,433 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,435 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,435 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,435 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 10:02:04,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 10:02:04,435 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 10:02:04,440 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,441 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,441 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 10:02:04,441 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,441 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,441 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,443 - INFO - number of orbitals:  30
-2024-12-03 10:02:04,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,443 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,443 - INFO - moving on ...
-2024-12-03 10:02:04,443 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 10:02:04,443 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,443 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,443 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,445 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,445 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,445 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 10:02:04,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 10:02:04,445 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 10:02:04,451 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,451 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,451 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 10:02:04,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,453 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,453 - INFO - moving on ...
-2024-12-03 10:02:04,453 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 10:02:04,453 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,453 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,453 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,455 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,455 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,455 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 10:02:04,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 10:02:04,455 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 10:02:04,461 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,461 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,461 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 10:02:04,461 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,461 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,461 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,463 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,464 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,464 - INFO - moving on ...
-2024-12-03 10:02:04,464 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 10:02:04,464 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,464 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,464 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,466 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,466 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,466 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 10:02:04,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 10:02:04,466 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 10:02:04,471 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,472 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,472 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 10:02:04,472 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,474 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,474 - INFO - moving on ...
-2024-12-03 10:02:04,474 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 10:02:04,474 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 10:02:04,474 - INFO - problem_instance short name: n2_0
-2024-12-03 10:02:04,474 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,474 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 10:02:04,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,476 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,476 - INFO - moving on ...
-2024-12-03 10:02:04,476 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 10:02:04,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,477 - INFO - number of orbitals:  110
-2024-12-03 10:02:04,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,477 - INFO - moving on ...
-2024-12-03 10:02:04,477 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 10:02:04,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,479 - INFO - number of orbitals:  60
-2024-12-03 10:02:04,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,479 - INFO - moving on ...
-2024-12-03 10:02:04,479 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 10:02:04,479 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 10:02:04,479 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 10:02:04,479 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,479 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 10:02:04,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,481 - INFO - number of orbitals:  30
-2024-12-03 10:02:04,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,481 - INFO - moving on ...
-2024-12-03 10:02:04,481 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 10:02:04,481 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 10:02:04,481 - INFO - problem_instance short name: h2_o_0
-2024-12-03 10:02:04,481 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,481 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 10:02:04,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,483 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,483 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,483 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 10:02:04,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 10:02:04,483 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 10:02:04,491 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,491 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,492 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 10:02:04,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 10:02:04,492 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,492 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 10:02:04,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,494 - INFO - number of orbitals:  115
-2024-12-03 10:02:04,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,494 - INFO - moving on ...
-2024-12-03 10:02:04,494 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 10:02:04,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,496 - INFO - number of orbitals:  58
-2024-12-03 10:02:04,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,496 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,496 - INFO - moving on ...
-2024-12-03 10:02:04,496 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 10:02:04,496 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 10:02:04,497 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 10:02:04,497 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,497 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 10:02:04,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,498 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,499 - INFO - moving on ...
-2024-12-03 10:02:04,499 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 10:02:04,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,501 - INFO - number of orbitals:  119
-2024-12-03 10:02:04,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,501 - INFO - moving on ...
-2024-12-03 10:02:04,501 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 10:02:04,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,502 - INFO - number of orbitals:  62
-2024-12-03 10:02:04,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,502 - INFO - moving on ...
-2024-12-03 10:02:04,502 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 10:02:04,502 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 10:02:04,502 - INFO - problem_instance short name: c_h4_0
-2024-12-03 10:02:04,503 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,503 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 10:02:04,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,504 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,504 - INFO - moving on ...
-2024-12-03 10:02:04,504 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 10:02:04,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,506 - INFO - number of orbitals:  86
-2024-12-03 10:02:04,506 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,506 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,506 - INFO - moving on ...
-2024-12-03 10:02:04,506 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 10:02:04,506 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 10:02:04,506 - INFO - problem_instance short name: n_h3_0
-2024-12-03 10:02:04,506 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,506 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 10:02:04,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,508 - INFO - number of orbitals:  29
-2024-12-03 10:02:04,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,509 - INFO - moving on ...
-2024-12-03 10:02:04,509 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 10:02:04,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,510 - INFO - number of orbitals:  72
-2024-12-03 10:02:04,510 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,510 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,511 - INFO - moving on ...
-2024-12-03 10:02:04,511 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 10:02:04,511 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 10:02:04,511 - INFO - problem_instance short name: c_o2_0
-2024-12-03 10:02:04,511 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,511 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 10:02:04,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,513 - INFO - number of orbitals:  42
-2024-12-03 10:02:04,513 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,513 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,513 - INFO - moving on ...
-2024-12-03 10:02:04,513 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 10:02:04,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,515 - INFO - number of orbitals:  90
-2024-12-03 10:02:04,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,515 - INFO - moving on ...
-2024-12-03 10:02:04,515 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 10:02:04,515 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 10:02:04,515 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 10:02:04,515 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,515 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 10:02:04,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,516 - INFO - number of orbitals:  52
-2024-12-03 10:02:04,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,516 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,516 - INFO - moving on ...
-2024-12-03 10:02:04,517 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 10:02:04,517 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 10:02:04,517 - INFO - problem_instance short name: Cu_0
-2024-12-03 10:02:04,517 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,517 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 10:02:04,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,518 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,518 - INFO - moving on ...
-2024-12-03 10:02:04,518 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 10:02:04,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,520 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,520 - INFO - moving on ...
-2024-12-03 10:02:04,520 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 10:02:04,520 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 10:02:04,520 - INFO - problem_instance short name: c_o_0
-2024-12-03 10:02:04,520 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,520 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 10:02:04,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,522 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,522 - INFO - moving on ...
-2024-12-03 10:02:04,522 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 10:02:04,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,524 - INFO - number of orbitals:  110
-2024-12-03 10:02:04,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,524 - INFO - moving on ...
-2024-12-03 10:02:04,524 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 10:02:04,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,525 - INFO - number of orbitals:  60
-2024-12-03 10:02:04,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,525 - INFO - moving on ...
-2024-12-03 10:02:04,525 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 10:02:04,525 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 10:02:04,525 - INFO - problem_instance short name: O_0
-2024-12-03 10:02:04,526 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,526 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 10:02:04,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,527 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,527 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,527 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-03 10:02:04,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-03 10:02:04,527 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-03 10:02:04,533 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,533 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,533 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-03 10:02:04,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-03 10:02:04,534 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,534 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 10:02:04,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,535 - INFO - number of orbitals:  79
-2024-12-03 10:02:04,535 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,535 - INFO - moving on ...
-2024-12-03 10:02:04,535 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 10:02:04,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,537 - INFO - number of orbitals:  45
-2024-12-03 10:02:04,537 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,537 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,537 - INFO - moving on ...
-2024-12-03 10:02:04,537 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 10:02:04,537 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 10:02:04,537 - INFO - problem_instance short name: Cr_0
-2024-12-03 10:02:04,537 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,537 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 10:02:04,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,539 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,539 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,539 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,539 - INFO - moving on ...
-2024-12-03 10:02:04,539 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 10:02:04,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,540 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,540 - INFO - moving on ...
-2024-12-03 10:02:04,540 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 10:02:04,540 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 10:02:04,540 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 10:02:04,540 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,541 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 10:02:04,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,542 - INFO - number of orbitals:  69
-2024-12-03 10:02:04,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,542 - INFO - moving on ...
-2024-12-03 10:02:04,542 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 10:02:04,542 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 10:02:04,542 - INFO - problem_instance short name: Ti_1
-2024-12-03 10:02:04,542 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,542 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 10:02:04,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,544 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,544 - INFO - moving on ...
-2024-12-03 10:02:04,544 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 10:02:04,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,545 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,545 - INFO - moving on ...
-2024-12-03 10:02:04,545 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 10:02:04,545 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 10:02:04,546 - INFO - problem_instance short name: ru_mono
-2024-12-03 10:02:04,546 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,546 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 10:02:04,546 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,546 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,546 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,547 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,547 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,548 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 10:02:04,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 10:02:04,548 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 10:02:04,554 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,554 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,554 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 10:02:04,554 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,554 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,554 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,556 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,556 - INFO - moving on ...
-2024-12-03 10:02:04,556 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 10:02:04,556 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,556 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,556 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,558 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,558 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,558 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 10:02:04,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 10:02:04,558 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 10:02:04,564 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,564 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,564 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 10:02:04,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,567 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,567 - INFO - moving on ...
-2024-12-03 10:02:04,567 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 10:02:04,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,569 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,569 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,569 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 10:02:04,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 10:02:04,569 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 10:02:04,575 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,575 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,575 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 10:02:04,575 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,576 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,576 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,577 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,578 - INFO - moving on ...
-2024-12-03 10:02:04,578 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 10:02:04,578 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 10:02:04,578 - INFO - problem_instance short name: na2_0
-2024-12-03 10:02:04,578 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,578 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 10:02:04,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,579 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,579 - INFO - moving on ...
-2024-12-03 10:02:04,579 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 10:02:04,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,581 - INFO - number of orbitals:  118
-2024-12-03 10:02:04,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,581 - INFO - moving on ...
-2024-12-03 10:02:04,581 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 10:02:04,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,582 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,582 - INFO - moving on ...
-2024-12-03 10:02:04,582 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 10:02:04,582 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 10:02:04,583 - INFO - problem_instance short name: li_h_0
-2024-12-03 10:02:04,583 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,583 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 10:02:04,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,584 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,584 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,584 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 10:02:04,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 10:02:04,584 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 10:02:04,590 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,590 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,590 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 10:02:04,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 10:02:04,590 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,590 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 10:02:04,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,592 - INFO - number of orbitals:  85
-2024-12-03 10:02:04,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,592 - INFO - moving on ...
-2024-12-03 10:02:04,592 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 10:02:04,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,593 - INFO - number of orbitals:  44
-2024-12-03 10:02:04,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,593 - INFO - moving on ...
-2024-12-03 10:02:04,593 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 10:02:04,593 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 10:02:04,594 - INFO - problem_instance short name: cl2_0
-2024-12-03 10:02:04,594 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,594 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 10:02:04,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,595 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,595 - INFO - moving on ...
-2024-12-03 10:02:04,595 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 10:02:04,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,596 - INFO - number of orbitals:  118
-2024-12-03 10:02:04,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,596 - INFO - moving on ...
-2024-12-03 10:02:04,596 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 10:02:04,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,597 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,598 - INFO - moving on ...
-2024-12-03 10:02:04,598 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 10:02:04,598 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 10:02:04,598 - INFO - problem_instance short name: si_o_0
-2024-12-03 10:02:04,598 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,598 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 10:02:04,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,599 - INFO - number of orbitals:  32
-2024-12-03 10:02:04,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,599 - INFO - moving on ...
-2024-12-03 10:02:04,599 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 10:02:04,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,600 - INFO - number of orbitals:  114
-2024-12-03 10:02:04,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,600 - INFO - moving on ...
-2024-12-03 10:02:04,600 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 10:02:04,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,602 - INFO - number of orbitals:  64
-2024-12-03 10:02:04,602 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,602 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,602 - INFO - moving on ...
-2024-12-03 10:02:04,602 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 10:02:04,602 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 10:02:04,602 - INFO - problem_instance short name: Mn_0
-2024-12-03 10:02:04,602 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,602 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 10:02:04,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,603 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,604 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,604 - INFO - moving on ...
-2024-12-03 10:02:04,604 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 10:02:04,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,605 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,605 - INFO - moving on ...
-2024-12-03 10:02:04,605 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 10:02:04,605 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 10:02:04,605 - INFO - problem_instance short name: f2_0
-2024-12-03 10:02:04,605 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,605 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 10:02:04,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,607 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,607 - INFO - moving on ...
-2024-12-03 10:02:04,607 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 10:02:04,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,608 - INFO - number of orbitals:  110
-2024-12-03 10:02:04,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,608 - INFO - moving on ...
-2024-12-03 10:02:04,608 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 10:02:04,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,609 - INFO - number of orbitals:  60
-2024-12-03 10:02:04,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,609 - INFO - moving on ...
-2024-12-03 10:02:04,610 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 10:02:04,610 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 10:02:04,610 - INFO - problem_instance short name: Fe_1
-2024-12-03 10:02:04,610 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,610 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 10:02:04,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,611 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,611 - INFO - moving on ...
-2024-12-03 10:02:04,611 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 10:02:04,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,613 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,613 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,613 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,613 - INFO - moving on ...
-2024-12-03 10:02:04,613 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 10:02:04,613 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 10:02:04,613 - INFO - problem_instance short name: li2_0
-2024-12-03 10:02:04,613 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,613 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 10:02:04,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,614 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,614 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,615 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,615 - INFO - moving on ...
-2024-12-03 10:02:04,615 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 10:02:04,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,616 - INFO - number of orbitals:  110
-2024-12-03 10:02:04,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,616 - INFO - moving on ...
-2024-12-03 10:02:04,616 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 10:02:04,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,617 - INFO - number of orbitals:  60
-2024-12-03 10:02:04,617 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,617 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,617 - INFO - moving on ...
-2024-12-03 10:02:04,617 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 10:02:04,618 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 10:02:04,618 - INFO - problem_instance short name: TiO_0
-2024-12-03 10:02:04,618 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,618 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 10:02:04,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,619 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,619 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,619 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,619 - INFO - moving on ...
-2024-12-03 10:02:04,619 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 10:02:04,619 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 10:02:04,619 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 10:02:04,619 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,619 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 10:02:04,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,621 - INFO - number of orbitals:  38
-2024-12-03 10:02:04,621 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,621 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,621 - INFO - moving on ...
-2024-12-03 10:02:04,621 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 10:02:04,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,622 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,622 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,622 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,622 - INFO - moving on ...
-2024-12-03 10:02:04,622 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 10:02:04,622 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 10:02:04,622 - INFO - problem_instance short name: na_cl_0
-2024-12-03 10:02:04,622 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,622 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 10:02:04,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,624 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,624 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,624 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,624 - INFO - moving on ...
-2024-12-03 10:02:04,624 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 10:02:04,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,625 - INFO - number of orbitals:  118
-2024-12-03 10:02:04,625 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,625 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,625 - INFO - moving on ...
-2024-12-03 10:02:04,625 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 10:02:04,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,626 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,626 - INFO - moving on ...
-2024-12-03 10:02:04,626 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 10:02:04,627 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 10:02:04,627 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 10:02:04,627 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,627 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 10:02:04,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,628 - INFO - number of orbitals:  33
-2024-12-03 10:02:04,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,628 - INFO - moving on ...
-2024-12-03 10:02:04,628 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 10:02:04,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,629 - INFO - number of orbitals:  74
-2024-12-03 10:02:04,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,629 - INFO - moving on ...
-2024-12-03 10:02:04,629 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 10:02:04,629 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 10:02:04,630 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 10:02:04,630 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,630 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 10:02:04,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,631 - INFO - number of orbitals:  37
-2024-12-03 10:02:04,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,631 - INFO - moving on ...
-2024-12-03 10:02:04,631 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 10:02:04,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,632 - INFO - number of orbitals:  78
-2024-12-03 10:02:04,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,632 - INFO - moving on ...
-2024-12-03 10:02:04,632 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 10:02:04,632 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 10:02:04,632 - INFO - problem_instance short name: s_o2_0
-2024-12-03 10:02:04,632 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,633 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 10:02:04,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,634 - INFO - number of orbitals:  46
-2024-12-03 10:02:04,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,634 - INFO - moving on ...
-2024-12-03 10:02:04,634 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 10:02:04,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,635 - INFO - number of orbitals:  94
-2024-12-03 10:02:04,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,635 - INFO - moving on ...
-2024-12-03 10:02:04,635 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 10:02:04,636 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 10:02:04,636 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 10:02:04,636 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,636 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 10:02:04,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,637 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,637 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,637 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 10:02:04,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 10:02:04,637 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 10:02:04,643 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,644 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,644 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 10:02:04,644 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 10:02:04,644 - INFO - problem_instance short name: Fe_0
-2024-12-03 10:02:04,644 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,644 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 10:02:04,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,646 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,646 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,646 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,646 - INFO - moving on ...
-2024-12-03 10:02:04,646 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 10:02:04,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,647 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,647 - INFO - moving on ...
-2024-12-03 10:02:04,647 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 10:02:04,647 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 10:02:04,648 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 10:02:04,648 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,648 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 10:02:04,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,649 - INFO - number of orbitals:  48
-2024-12-03 10:02:04,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,649 - INFO - moving on ...
-2024-12-03 10:02:04,649 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 10:02:04,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,650 - INFO - number of orbitals:  116
-2024-12-03 10:02:04,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,650 - INFO - moving on ...
-2024-12-03 10:02:04,650 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 10:02:04,650 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 10:02:04,651 - INFO - problem_instance short name: mo2_n2
-2024-12-03 10:02:04,651 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,651 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 10:02:04,651 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,651 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,651 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,652 - INFO - number of orbitals:  69
-2024-12-03 10:02:04,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,653 - INFO - moving on ...
-2024-12-03 10:02:04,653 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 10:02:04,653 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,653 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,653 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,654 - INFO - number of orbitals:  70
-2024-12-03 10:02:04,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,655 - INFO - moving on ...
-2024-12-03 10:02:04,655 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 10:02:04,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,656 - INFO - number of orbitals:  69
-2024-12-03 10:02:04,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,656 - INFO - moving on ...
-2024-12-03 10:02:04,656 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 10:02:04,657 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 10:02:04,657 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 10:02:04,657 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,657 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 10:02:04,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,658 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,658 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,658 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 10:02:04,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 10:02:04,658 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 10:02:04,664 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,664 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,664 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 10:02:04,665 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 10:02:04,665 - INFO - problem_instance short name: Cu_1
-2024-12-03 10:02:04,665 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,665 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 10:02:04,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,666 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,666 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,666 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,666 - INFO - moving on ...
-2024-12-03 10:02:04,666 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 10:02:04,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,668 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,668 - INFO - moving on ...
-2024-12-03 10:02:04,668 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 10:02:04,668 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 10:02:04,668 - INFO - problem_instance short name: be_0
-2024-12-03 10:02:04,668 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,668 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 10:02:04,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,669 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,669 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,669 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 10:02:04,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 10:02:04,670 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 10:02:04,675 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,676 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,676 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 10:02:04,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 10:02:04,676 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,676 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 10:02:04,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,677 - INFO - number of orbitals:  55
-2024-12-03 10:02:04,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,677 - INFO - moving on ...
-2024-12-03 10:02:04,678 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 10:02:04,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,679 - INFO - number of orbitals:  30
-2024-12-03 10:02:04,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,679 - INFO - moving on ...
-2024-12-03 10:02:04,679 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 10:02:04,679 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 10:02:04,679 - INFO - problem_instance short name: V_1
-2024-12-03 10:02:04,679 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,679 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 10:02:04,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,681 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,681 - INFO - moving on ...
-2024-12-03 10:02:04,681 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 10:02:04,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,682 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,682 - INFO - moving on ...
-2024-12-03 10:02:04,682 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 10:02:04,682 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 10:02:04,682 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 10:02:04,682 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,682 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 10:02:04,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,684 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,684 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,684 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 10:02:04,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 10:02:04,684 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 10:02:04,690 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,690 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,690 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 10:02:04,690 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 10:02:04,690 - INFO - problem_instance short name: Cr_1
-2024-12-03 10:02:04,690 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,690 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 10:02:04,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,692 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,692 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,692 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,692 - INFO - moving on ...
-2024-12-03 10:02:04,692 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 10:02:04,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,693 - INFO - number of orbitals:  135
-2024-12-03 10:02:04,693 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,693 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,693 - INFO - moving on ...
-2024-12-03 10:02:04,693 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 10:02:04,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,694 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,695 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,695 - INFO - moving on ...
-2024-12-03 10:02:04,695 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 10:02:04,695 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 10:02:04,695 - INFO - problem_instance short name: Sc_0
-2024-12-03 10:02:04,695 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,695 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 10:02:04,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,696 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,696 - INFO - moving on ...
-2024-12-03 10:02:04,696 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 10:02:04,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,697 - INFO - number of orbitals:  135
-2024-12-03 10:02:04,697 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,698 - INFO - moving on ...
-2024-12-03 10:02:04,698 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 10:02:04,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,699 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,699 - INFO - moving on ...
-2024-12-03 10:02:04,699 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 10:02:04,699 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 10:02:04,699 - INFO - problem_instance short name: p_h3_0
-2024-12-03 10:02:04,699 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,699 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 10:02:04,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,700 - INFO - number of orbitals:  33
-2024-12-03 10:02:04,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,701 - INFO - moving on ...
-2024-12-03 10:02:04,701 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 10:02:04,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,702 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,702 - INFO - moving on ...
-2024-12-03 10:02:04,702 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 10:02:04,702 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 10:02:04,702 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 10:02:04,702 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,702 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 10:02:04,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,703 - INFO - number of orbitals:  38
-2024-12-03 10:02:04,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,704 - INFO - moving on ...
-2024-12-03 10:02:04,704 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 10:02:04,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,705 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,705 - INFO - moving on ...
-2024-12-03 10:02:04,705 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 10:02:04,705 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 10:02:04,705 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 10:02:04,705 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,705 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 10:02:04,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,706 - INFO - number of orbitals:  66
-2024-12-03 10:02:04,706 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,706 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,706 - INFO - moving on ...
-2024-12-03 10:02:04,706 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 10:02:04,707 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 10:02:04,707 - INFO - problem_instance short name: h_f_0
-2024-12-03 10:02:04,707 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,707 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 10:02:04,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,708 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,708 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,708 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 10:02:04,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 10:02:04,708 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 10:02:04,714 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,714 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,714 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 10:02:04,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 10:02:04,714 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,714 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 10:02:04,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,716 - INFO - number of orbitals:  85
-2024-12-03 10:02:04,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,716 - INFO - moving on ...
-2024-12-03 10:02:04,716 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 10:02:04,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,717 - INFO - number of orbitals:  44
-2024-12-03 10:02:04,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,717 - INFO - moving on ...
-2024-12-03 10:02:04,717 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 10:02:04,718 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 10:02:04,718 - INFO - problem_instance short name: V_0
-2024-12-03 10:02:04,718 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,718 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 10:02:04,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,719 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,719 - INFO - moving on ...
-2024-12-03 10:02:04,719 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 10:02:04,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,720 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,720 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,720 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,720 - INFO - moving on ...
-2024-12-03 10:02:04,720 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 10:02:04,720 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 10:02:04,721 - INFO - problem_instance short name: c_s_0
-2024-12-03 10:02:04,721 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,721 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 10:02:04,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,722 - INFO - number of orbitals:  32
-2024-12-03 10:02:04,722 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,722 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,722 - INFO - moving on ...
-2024-12-03 10:02:04,722 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 10:02:04,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,723 - INFO - number of orbitals:  64
-2024-12-03 10:02:04,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,723 - INFO - moving on ...
-2024-12-03 10:02:04,723 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 10:02:04,723 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 10:02:04,723 - INFO - problem_instance short name: Ti_0
-2024-12-03 10:02:04,723 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,723 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 10:02:04,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,725 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,725 - INFO - moving on ...
-2024-12-03 10:02:04,725 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 10:02:04,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,726 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,726 - INFO - moving on ...
-2024-12-03 10:02:04,726 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 10:02:04,726 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 10:02:04,726 - INFO - problem_instance short name: mo_n2
-2024-12-03 10:02:04,726 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,726 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 10:02:04,727 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,727 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,727 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,728 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,728 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,728 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,728 - INFO - moving on ...
-2024-12-03 10:02:04,728 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 10:02:04,728 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,729 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,729 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,730 - INFO - number of orbitals:  46
-2024-12-03 10:02:04,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,730 - INFO - moving on ...
-2024-12-03 10:02:04,730 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 10:02:04,730 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,731 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,731 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,732 - INFO - number of orbitals:  46
-2024-12-03 10:02:04,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,732 - INFO - moving on ...
-2024-12-03 10:02:04,732 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 10:02:04,732 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,734 - INFO - number of orbitals:  30
-2024-12-03 10:02:04,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,734 - INFO - moving on ...
-2024-12-03 10:02:04,734 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 10:02:04,735 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 10:02:04,735 - INFO - problem_instance short name: ru_macho
-2024-12-03 10:02:04,735 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,735 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 10:02:04,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,737 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,737 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,737 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 10:02:04,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 10:02:04,737 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 10:02:04,744 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,744 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,744 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 10:02:04,744 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,744 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,744 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,746 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,746 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,747 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 10:02:04,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 10:02:04,747 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 10:02:04,753 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,753 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,753 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 10:02:04,753 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,753 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,753 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,756 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,756 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,756 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 10:02:04,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 10:02:04,756 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 10:02:04,762 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,762 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,762 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 10:02:04,763 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,765 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,765 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,765 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 10:02:04,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 10:02:04,765 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 10:02:04,771 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,771 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,771 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 10:02:04,771 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,771 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,771 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,774 - INFO - number of orbitals:  33
-2024-12-03 10:02:04,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,774 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,774 - INFO - moving on ...
-2024-12-03 10:02:04,774 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 10:02:04,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,774 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,774 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,776 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,776 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,776 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 10:02:04,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 10:02:04,776 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 10:02:04,782 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,783 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,783 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 10:02:04,783 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,783 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,783 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,785 - INFO - number of orbitals:  45
-2024-12-03 10:02:04,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,785 - INFO - moving on ...
-2024-12-03 10:02:04,785 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 10:02:04,785 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,785 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,785 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,787 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,787 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,787 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 10:02:04,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 10:02:04,787 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 10:02:04,793 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,793 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,794 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 10:02:04,794 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,794 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,794 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,796 - INFO - number of orbitals:  42
-2024-12-03 10:02:04,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,796 - INFO - moving on ...
-2024-12-03 10:02:04,796 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 10:02:04,796 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 10:02:04,796 - INFO - problem_instance short name: li_f_0
-2024-12-03 10:02:04,796 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,796 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 10:02:04,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,797 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,798 - INFO - moving on ...
-2024-12-03 10:02:04,798 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 10:02:04,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,799 - INFO - number of orbitals:  110
-2024-12-03 10:02:04,799 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,799 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,799 - INFO - moving on ...
-2024-12-03 10:02:04,799 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 10:02:04,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,800 - INFO - number of orbitals:  60
-2024-12-03 10:02:04,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,800 - INFO - moving on ...
-2024-12-03 10:02:04,800 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 10:02:04,801 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 10:02:04,801 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 10:02:04,801 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,801 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 10:02:04,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,802 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,802 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,802 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,802 - INFO - moving on ...
-2024-12-03 10:02:04,802 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 10:02:04,802 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 10:02:04,802 - INFO - problem_instance short name: VO_0
-2024-12-03 10:02:04,802 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,802 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 10:02:04,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,804 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,804 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,804 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,804 - INFO - moving on ...
-2024-12-03 10:02:04,804 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 10:02:04,804 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 10:02:04,804 - INFO - problem_instance short name: benzene
-2024-12-03 10:02:04,804 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,804 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 10:02:04,804 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,804 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,804 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,806 - INFO - number of orbitals:  30
-2024-12-03 10:02:04,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,806 - INFO - moving on ...
-2024-12-03 10:02:04,806 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 10:02:04,806 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,806 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,806 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,808 - INFO - number of orbitals:  108
-2024-12-03 10:02:04,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,808 - INFO - moving on ...
-2024-12-03 10:02:04,808 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 10:02:04,808 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 10:02:04,808 - INFO - problem_instance short name: MnO_0
-2024-12-03 10:02:04,808 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,808 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 10:02:04,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,810 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,810 - INFO - moving on ...
-2024-12-03 10:02:04,810 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 10:02:04,810 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 10:02:04,810 - INFO - problem_instance short name: h2_s_0
-2024-12-03 10:02:04,810 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,810 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 10:02:04,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,811 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,811 - INFO - moving on ...
-2024-12-03 10:02:04,811 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 10:02:04,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,813 - INFO - number of orbitals:  119
-2024-12-03 10:02:04,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,813 - INFO - moving on ...
-2024-12-03 10:02:04,813 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 10:02:04,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,814 - INFO - number of orbitals:  62
-2024-12-03 10:02:04,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,814 - INFO - moving on ...
-2024-12-03 10:02:04,814 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 10:02:04,814 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 10:02:04,815 - INFO - problem_instance short name: fe_red
-2024-12-03 10:02:04,815 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,815 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 10:02:04,815 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,815 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,815 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,816 - INFO - number of orbitals:  45
-2024-12-03 10:02:04,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,817 - INFO - moving on ...
-2024-12-03 10:02:04,817 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 10:02:04,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,817 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,817 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,818 - INFO - number of orbitals:  53
-2024-12-03 10:02:04,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,819 - INFO - moving on ...
-2024-12-03 10:02:04,819 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 10:02:04,819 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,819 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,819 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,821 - INFO - number of orbitals:  58
-2024-12-03 10:02:04,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,821 - INFO - moving on ...
-2024-12-03 10:02:04,821 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 10:02:04,821 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,822 - INFO - number of orbitals:  44
-2024-12-03 10:02:04,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,823 - INFO - moving on ...
-2024-12-03 10:02:04,823 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 10:02:04,823 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,823 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,823 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,825 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,825 - INFO - moving on ...
-2024-12-03 10:02:04,825 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 10:02:04,825 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,825 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,825 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,827 - INFO - number of orbitals:  55
-2024-12-03 10:02:04,827 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,827 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,827 - INFO - moving on ...
-2024-12-03 10:02:04,827 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 10:02:04,827 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,827 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,827 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,828 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,829 - INFO - number of orbitals:  44
-2024-12-03 10:02:04,829 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,829 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,829 - INFO - moving on ...
-2024-12-03 10:02:04,829 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 10:02:04,829 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,829 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,829 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,831 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,831 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,831 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,831 - INFO - moving on ...
-2024-12-03 10:02:04,831 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 10:02:04,831 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,833 - INFO - number of orbitals:  55
-2024-12-03 10:02:04,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,833 - INFO - moving on ...
-2024-12-03 10:02:04,833 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 10:02:04,833 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 10:02:04,833 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 10:02:04,833 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,833 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 10:02:04,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,834 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,835 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,835 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 10:02:04,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 10:02:04,835 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 10:02:04,841 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,841 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,841 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 10:02:04,841 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 10:02:04,841 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 10:02:04,841 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,841 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 10:02:04,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,843 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,843 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,843 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,843 - INFO - moving on ...
-2024-12-03 10:02:04,843 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 10:02:04,843 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 10:02:04,843 - INFO - problem_instance short name: h_cl_0
-2024-12-03 10:02:04,843 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,843 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 10:02:04,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,845 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,845 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,845 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 10:02:04,845 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 10:02:04,845 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 10:02:04,850 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,850 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,850 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 10:02:04,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 10:02:04,851 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,851 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 10:02:04,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,852 - INFO - number of orbitals:  89
-2024-12-03 10:02:04,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,852 - INFO - moving on ...
-2024-12-03 10:02:04,852 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 10:02:04,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,853 - INFO - number of orbitals:  48
-2024-12-03 10:02:04,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,853 - INFO - moving on ...
-2024-12-03 10:02:04,853 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 10:02:04,853 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 10:02:04,853 - INFO - problem_instance short name: CuO_0
-2024-12-03 10:02:04,854 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,854 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 10:02:04,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,855 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,855 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,855 - INFO - moving on ...
-2024-12-03 10:02:04,855 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 10:02:04,855 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 10:02:04,855 - INFO - problem_instance short name: Sc_1
-2024-12-03 10:02:04,855 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,855 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 10:02:04,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,856 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,856 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,856 - INFO - moving on ...
-2024-12-03 10:02:04,856 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 10:02:04,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,858 - INFO - number of orbitals:  135
-2024-12-03 10:02:04,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,858 - INFO - moving on ...
-2024-12-03 10:02:04,858 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 10:02:04,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,859 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,859 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,859 - INFO - moving on ...
-2024-12-03 10:02:04,859 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 10:02:04,859 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 10:02:04,859 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 10:02:04,859 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,859 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 10:02:04,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,861 - INFO - number of orbitals:  70
-2024-12-03 10:02:04,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,861 - INFO - moving on ...
-2024-12-03 10:02:04,861 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 10:02:04,861 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 10:02:04,861 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 10:02:04,861 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,861 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 10:02:04,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,862 - INFO - number of orbitals:  48
-2024-12-03 10:02:04,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,862 - INFO - moving on ...
-2024-12-03 10:02:04,862 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 10:02:04,863 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 10:02:04,863 - INFO - problem_instance short name: cr_dimer
-2024-12-03 10:02:04,863 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,863 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 10:02:04,863 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,863 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,863 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,864 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,864 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,864 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 10:02:04,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 10:02:04,865 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 10:02:04,870 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,871 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,871 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 10:02:04,871 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,873 - INFO - number of orbitals:  26
-2024-12-03 10:02:04,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,873 - INFO - moving on ...
-2024-12-03 10:02:04,873 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 10:02:04,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,875 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,875 - INFO - moving on ...
-2024-12-03 10:02:04,875 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 10:02:04,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,875 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,876 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,877 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,877 - INFO - moving on ...
-2024-12-03 10:02:04,877 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 10:02:04,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,879 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,879 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,879 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 10:02:04,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 10:02:04,879 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 10:02:04,885 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,885 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,885 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 10:02:04,885 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,886 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,886 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,887 - INFO - number of orbitals:  26
-2024-12-03 10:02:04,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,888 - INFO - moving on ...
-2024-12-03 10:02:04,888 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 10:02:04,888 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,888 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,888 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,890 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,890 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,890 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,890 - INFO - moving on ...
-2024-12-03 10:02:04,890 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 10:02:04,890 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,890 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,890 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,891 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,892 - INFO - moving on ...
-2024-12-03 10:02:04,892 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 10:02:04,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,893 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,893 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,893 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 10:02:04,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 10:02:04,894 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 10:02:04,899 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,900 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,900 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 10:02:04,900 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,900 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,900 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,902 - INFO - number of orbitals:  26
-2024-12-03 10:02:04,902 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,902 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,902 - INFO - moving on ...
-2024-12-03 10:02:04,902 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 10:02:04,902 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,904 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,904 - INFO - moving on ...
-2024-12-03 10:02:04,904 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 10:02:04,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,906 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,906 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,906 - INFO - moving on ...
-2024-12-03 10:02:04,906 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 10:02:04,906 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 10:02:04,906 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 10:02:04,906 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,906 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 10:02:04,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,908 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,908 - INFO - number of supporting files: 2
-2024-12-03 10:02:04,908 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 10:02:04,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 10:02:04,908 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 10:02:04,914 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,914 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,914 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 10:02:04,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 10:02:04,914 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:04,914 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 10:02:04,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,916 - INFO - number of orbitals:  115
-2024-12-03 10:02:04,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,916 - INFO - moving on ...
-2024-12-03 10:02:04,916 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 10:02:04,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,917 - INFO - number of orbitals:  58
-2024-12-03 10:02:04,917 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,917 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,917 - INFO - moving on ...
-2024-12-03 10:02:04,917 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 10:02:04,918 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 10:02:04,918 - INFO - problem_instance short name: blue_dimer
-2024-12-03 10:02:04,918 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,918 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 10:02:04,918 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,918 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,918 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,920 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,920 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,920 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 10:02:04,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 10:02:04,920 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 10:02:04,926 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,926 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,926 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 10:02:04,926 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,926 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,926 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,928 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,928 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,928 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 10:02:04,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 10:02:04,928 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 10:02:04,934 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,935 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,935 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 10:02:04,935 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,935 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,935 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,937 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,937 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,937 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,937 - INFO - moving on ...
-2024-12-03 10:02:04,937 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 10:02:04,937 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,937 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,937 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,938 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,939 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,939 - INFO - moving on ...
-2024-12-03 10:02:04,939 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 10:02:04,939 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,939 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,939 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,941 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,941 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,941 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 10:02:04,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 10:02:04,941 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 10:02:04,947 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,947 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,947 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 10:02:04,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,950 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,950 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,950 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 10:02:04,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 10:02:04,950 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 10:02:04,956 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,956 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,956 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 10:02:04,956 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,956 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,956 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,959 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,959 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,959 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,959 - INFO - moving on ...
-2024-12-03 10:02:04,959 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 10:02:04,959 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,959 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,959 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,961 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,961 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,961 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,961 - INFO - moving on ...
-2024-12-03 10:02:04,961 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 10:02:04,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,961 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,961 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,963 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:04,963 - INFO - number of supporting files: 1
-2024-12-03 10:02:04,963 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 10:02:04,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 10:02:04,963 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 10:02:04,970 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:04,971 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 10:02:04,971 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 10:02:04,971 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,971 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,971 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,973 - INFO - number of orbitals:  28
-2024-12-03 10:02:04,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,973 - INFO - moving on ...
-2024-12-03 10:02:04,973 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 10:02:04,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,973 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,973 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,975 - INFO - number of orbitals:  34
-2024-12-03 10:02:04,976 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,976 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,976 - INFO - moving on ...
-2024-12-03 10:02:04,976 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 10:02:04,976 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:04,976 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:04,976 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:04,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,978 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,978 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,978 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,978 - INFO - moving on ...
-2024-12-03 10:02:04,978 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 10:02:04,978 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 10:02:04,978 - INFO - problem_instance short name: p2_0
-2024-12-03 10:02:04,978 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,978 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 10:02:04,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,980 - INFO - number of orbitals:  36
-2024-12-03 10:02:04,980 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,980 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,980 - INFO - moving on ...
-2024-12-03 10:02:04,980 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 10:02:04,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,981 - INFO - number of orbitals:  118
-2024-12-03 10:02:04,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,981 - INFO - moving on ...
-2024-12-03 10:02:04,981 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 10:02:04,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,982 - INFO - number of orbitals:  68
-2024-12-03 10:02:04,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,982 - INFO - moving on ...
-2024-12-03 10:02:04,983 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 10:02:04,983 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 10:02:04,983 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 10:02:04,983 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,983 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 10:02:04,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,984 - INFO - number of orbitals:  58
-2024-12-03 10:02:04,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,984 - INFO - moving on ...
-2024-12-03 10:02:04,984 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 10:02:04,984 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 10:02:04,984 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 10:02:04,984 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,984 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 10:02:04,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,986 - INFO - number of orbitals:  31
-2024-12-03 10:02:04,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,986 - INFO - moving on ...
-2024-12-03 10:02:04,986 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 10:02:04,986 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 10:02:04,986 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 10:02:04,986 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,986 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 10:02:04,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,987 - INFO - number of orbitals:  47
-2024-12-03 10:02:04,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,987 - INFO - moving on ...
-2024-12-03 10:02:04,987 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 10:02:04,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,989 - INFO - number of orbitals:  106
-2024-12-03 10:02:04,989 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,989 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,989 - INFO - moving on ...
-2024-12-03 10:02:04,989 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 10:02:04,989 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 10:02:04,989 - INFO - problem_instance short name: si_h4_0
-2024-12-03 10:02:04,989 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,989 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 10:02:04,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,990 - INFO - number of orbitals:  38
-2024-12-03 10:02:04,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,990 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,990 - INFO - moving on ...
-2024-12-03 10:02:04,990 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 10:02:04,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,992 - INFO - number of orbitals:  90
-2024-12-03 10:02:04,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,992 - INFO - moving on ...
-2024-12-03 10:02:04,992 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 10:02:04,992 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 10:02:04,992 - INFO - problem_instance short name: Mn_1
-2024-12-03 10:02:04,992 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,992 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 10:02:04,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,993 - INFO - number of orbitals:  54
-2024-12-03 10:02:04,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,993 - INFO - moving on ...
-2024-12-03 10:02:04,993 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 10:02:04,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,994 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,995 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,995 - INFO - moving on ...
-2024-12-03 10:02:04,995 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 10:02:04,995 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 10:02:04,995 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 10:02:04,995 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,995 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 10:02:04,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,996 - INFO - number of orbitals:  38
-2024-12-03 10:02:04,996 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,996 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,996 - INFO - moving on ...
-2024-12-03 10:02:04,996 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 10:02:04,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,997 - INFO - number of orbitals:  88
-2024-12-03 10:02:04,997 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,997 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,997 - INFO - moving on ...
-2024-12-03 10:02:04,997 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 10:02:04,998 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 10:02:04,998 - INFO - problem_instance short name: FeO_0
-2024-12-03 10:02:04,998 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,998 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 10:02:04,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:04,999 - INFO - number of orbitals:  76
-2024-12-03 10:02:04,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:04,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:04,999 - INFO - moving on ...
-2024-12-03 10:02:04,999 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 10:02:04,999 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 10:02:04,999 - INFO - problem_instance short name: CrO_0
-2024-12-03 10:02:04,999 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:04,999 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 10:02:05,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,000 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-03 10:02:05,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,000 - INFO - moving on ...
-2024-12-03 10:02:05,001 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 10:02:05,001 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 10:02:05,001 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 10:02:05,001 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,001 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 10:02:05,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,002 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,002 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,003 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 10:02:05,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 10:02:05,003 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 10:02:05,009 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,009 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,009 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 10:02:05,009 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 10:02:05,009 - INFO - problem_instance short name: O_0
-2024-12-03 10:02:05,009 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,009 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 10:02:05,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,011 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,011 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,011 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-03 10:02:05,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-03 10:02:05,011 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-03 10:02:05,017 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,017 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,018 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-03 10:02:05,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-03 10:02:05,018 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,018 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 10:02:05,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,019 - INFO - number of orbitals:  79
-2024-12-03 10:02:05,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,019 - INFO - moving on ...
-2024-12-03 10:02:05,019 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 10:02:05,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,021 - INFO - number of orbitals:  45
-2024-12-03 10:02:05,021 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,021 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,021 - INFO - moving on ...
-2024-12-03 10:02:05,021 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 10:02:05,021 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 10:02:05,021 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 10:02:05,021 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,021 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 10:02:05,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,022 - INFO - number of orbitals:  52
-2024-12-03 10:02:05,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,023 - INFO - moving on ...
-2024-12-03 10:02:05,023 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 10:02:05,023 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 10:02:05,023 - INFO - problem_instance short name: h_f_0
-2024-12-03 10:02:05,023 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,023 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 10:02:05,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,024 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,024 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,024 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 10:02:05,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 10:02:05,024 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 10:02:05,030 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,030 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,030 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 10:02:05,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 10:02:05,030 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,030 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 10:02:05,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,032 - INFO - number of orbitals:  85
-2024-12-03 10:02:05,032 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,032 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,032 - INFO - moving on ...
-2024-12-03 10:02:05,032 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 10:02:05,033 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,033 - INFO - number of orbitals:  44
-2024-12-03 10:02:05,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,033 - INFO - moving on ...
-2024-12-03 10:02:05,033 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 10:02:05,033 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 10:02:05,033 - INFO - problem_instance short name: cl2_0
-2024-12-03 10:02:05,033 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,033 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 10:02:05,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,034 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,035 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,035 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,035 - INFO - moving on ...
-2024-12-03 10:02:05,035 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 10:02:05,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,036 - INFO - number of orbitals:  118
-2024-12-03 10:02:05,036 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,036 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,036 - INFO - moving on ...
-2024-12-03 10:02:05,036 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 10:02:05,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,037 - INFO - number of orbitals:  68
-2024-12-03 10:02:05,037 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,037 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,037 - INFO - moving on ...
-2024-12-03 10:02:05,037 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 10:02:05,038 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 10:02:05,038 - INFO - problem_instance short name: c_o2_0
-2024-12-03 10:02:05,038 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,038 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 10:02:05,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,039 - INFO - number of orbitals:  42
-2024-12-03 10:02:05,039 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,039 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,039 - INFO - moving on ...
-2024-12-03 10:02:05,039 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 10:02:05,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,040 - INFO - number of orbitals:  90
-2024-12-03 10:02:05,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,040 - INFO - moving on ...
-2024-12-03 10:02:05,040 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 10:02:05,040 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 10:02:05,040 - INFO - problem_instance short name: Cu_0
-2024-12-03 10:02:05,041 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,041 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 10:02:05,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,042 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,042 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,042 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,042 - INFO - moving on ...
-2024-12-03 10:02:05,042 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 10:02:05,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,043 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,043 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,043 - INFO - moving on ...
-2024-12-03 10:02:05,043 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 10:02:05,043 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 10:02:05,043 - INFO - problem_instance short name: Cu_1
-2024-12-03 10:02:05,043 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,043 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 10:02:05,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,045 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,045 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,045 - INFO - moving on ...
-2024-12-03 10:02:05,045 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 10:02:05,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,046 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,046 - INFO - moving on ...
-2024-12-03 10:02:05,046 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 10:02:05,047 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 10:02:05,047 - INFO - problem_instance short name: blue_dimer
-2024-12-03 10:02:05,047 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,047 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 10:02:05,047 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,047 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,047 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,049 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,049 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,049 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 10:02:05,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 10:02:05,049 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 10:02:05,055 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,055 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,055 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 10:02:05,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,057 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,058 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,058 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 10:02:05,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 10:02:05,058 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 10:02:05,064 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,064 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,064 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 10:02:05,064 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,066 - INFO - number of orbitals:  34
-2024-12-03 10:02:05,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,066 - INFO - moving on ...
-2024-12-03 10:02:05,067 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 10:02:05,067 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,067 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,067 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,069 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,069 - INFO - moving on ...
-2024-12-03 10:02:05,069 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 10:02:05,069 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,069 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,069 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,071 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,071 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,071 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 10:02:05,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 10:02:05,071 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 10:02:05,077 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,077 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,077 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 10:02:05,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,078 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,080 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,080 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,080 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 10:02:05,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 10:02:05,080 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 10:02:05,086 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,086 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,086 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 10:02:05,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,086 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,088 - INFO - number of orbitals:  34
-2024-12-03 10:02:05,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,089 - INFO - moving on ...
-2024-12-03 10:02:05,089 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 10:02:05,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,091 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,091 - INFO - moving on ...
-2024-12-03 10:02:05,091 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 10:02:05,091 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,091 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,091 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,094 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,094 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,094 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 10:02:05,094 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 10:02:05,094 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 10:02:05,103 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,104 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,104 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 10:02:05,104 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,104 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,104 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,107 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,107 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,107 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-03 10:02:05,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-03 10:02:05,107 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-03 10:02:05,115 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,115 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,115 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 10:02:05,115 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,115 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,115 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,117 - INFO - number of orbitals:  34
-2024-12-03 10:02:05,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,118 - INFO - moving on ...
-2024-12-03 10:02:05,118 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 10:02:05,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,120 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,120 - INFO - moving on ...
-2024-12-03 10:02:05,120 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 10:02:05,120 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 10:02:05,120 - INFO - problem_instance short name: Ti_1
-2024-12-03 10:02:05,120 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,120 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 10:02:05,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,122 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,122 - INFO - moving on ...
-2024-12-03 10:02:05,122 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 10:02:05,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,123 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,123 - INFO - moving on ...
-2024-12-03 10:02:05,123 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 10:02:05,123 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 10:02:05,123 - INFO - problem_instance short name: h2_s_0
-2024-12-03 10:02:05,123 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,123 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 10:02:05,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,125 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,125 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,125 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-03 10:02:05,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-03 10:02:05,125 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-03 10:02:05,131 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,131 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,131 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-03 10:02:05,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-03 10:02:05,131 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,131 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 10:02:05,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,133 - INFO - number of orbitals:  119
-2024-12-03 10:02:05,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,133 - INFO - moving on ...
-2024-12-03 10:02:05,133 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 10:02:05,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,134 - INFO - number of orbitals:  62
-2024-12-03 10:02:05,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,134 - INFO - moving on ...
-2024-12-03 10:02:05,134 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 10:02:05,134 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 10:02:05,134 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 10:02:05,134 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,134 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 10:02:05,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,136 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,136 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,136 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-03 10:02:05,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-03 10:02:05,136 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-03 10:02:05,142 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,142 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,143 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-03 10:02:05,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-03 10:02:05,143 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,143 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 10:02:05,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,144 - INFO - number of orbitals:  119
-2024-12-03 10:02:05,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,144 - INFO - moving on ...
-2024-12-03 10:02:05,144 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 10:02:05,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,146 - INFO - number of orbitals:  62
-2024-12-03 10:02:05,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,146 - INFO - moving on ...
-2024-12-03 10:02:05,146 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 10:02:05,146 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 10:02:05,146 - INFO - problem_instance short name: V_0
-2024-12-03 10:02:05,146 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,146 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 10:02:05,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,148 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,148 - INFO - moving on ...
-2024-12-03 10:02:05,148 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 10:02:05,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,149 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,149 - INFO - moving on ...
-2024-12-03 10:02:05,149 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 10:02:05,150 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 10:02:05,150 - INFO - problem_instance short name: li_f_0
-2024-12-03 10:02:05,150 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,150 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 10:02:05,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,151 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,151 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,151 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-03 10:02:05,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-03 10:02:05,151 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-03 10:02:05,157 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,158 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,158 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-03 10:02:05,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-03 10:02:05,158 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,158 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 10:02:05,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,160 - INFO - number of orbitals:  110
-2024-12-03 10:02:05,160 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,160 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,160 - INFO - moving on ...
-2024-12-03 10:02:05,160 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 10:02:05,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,161 - INFO - number of orbitals:  60
-2024-12-03 10:02:05,161 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,161 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,161 - INFO - moving on ...
-2024-12-03 10:02:05,161 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 10:02:05,162 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 10:02:05,162 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 10:02:05,162 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,162 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 10:02:05,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,163 - INFO - number of orbitals:  48
-2024-12-03 10:02:05,163 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,163 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,163 - INFO - moving on ...
-2024-12-03 10:02:05,163 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 10:02:05,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,164 - INFO - number of orbitals:  116
-2024-12-03 10:02:05,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,165 - INFO - moving on ...
-2024-12-03 10:02:05,165 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 10:02:05,165 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 10:02:05,165 - INFO - problem_instance short name: Mn_1
-2024-12-03 10:02:05,165 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,165 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 10:02:05,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,166 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,166 - INFO - moving on ...
-2024-12-03 10:02:05,166 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 10:02:05,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,167 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,167 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,168 - INFO - moving on ...
-2024-12-03 10:02:05,168 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 10:02:05,168 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 10:02:05,168 - INFO - problem_instance short name: p2_0
-2024-12-03 10:02:05,168 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,168 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 10:02:05,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,169 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,169 - INFO - moving on ...
-2024-12-03 10:02:05,169 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 10:02:05,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,170 - INFO - number of orbitals:  118
-2024-12-03 10:02:05,171 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,171 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,171 - INFO - moving on ...
-2024-12-03 10:02:05,171 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 10:02:05,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,172 - INFO - number of orbitals:  68
-2024-12-03 10:02:05,172 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,172 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,172 - INFO - moving on ...
-2024-12-03 10:02:05,172 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 10:02:05,172 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 10:02:05,172 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 10:02:05,172 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,172 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 10:02:05,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,173 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,173 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,173 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 10:02:05,173 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 10:02:05,174 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 10:02:05,179 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,179 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,179 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 10:02:05,180 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 10:02:05,180 - INFO - problem_instance short name: O_1
-2024-12-03 10:02:05,180 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,180 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 10:02:05,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,181 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,181 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,181 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 10:02:05,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 10:02:05,181 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 10:02:05,187 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,187 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,187 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 10:02:05,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 10:02:05,188 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,188 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 10:02:05,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,189 - INFO - number of orbitals:  79
-2024-12-03 10:02:05,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,189 - INFO - moving on ...
-2024-12-03 10:02:05,189 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 10:02:05,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,190 - INFO - number of orbitals:  45
-2024-12-03 10:02:05,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,190 - INFO - moving on ...
-2024-12-03 10:02:05,190 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 10:02:05,191 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 10:02:05,191 - INFO - problem_instance short name: Sc_0
-2024-12-03 10:02:05,191 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,191 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 10:02:05,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,192 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,192 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,192 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,192 - INFO - moving on ...
-2024-12-03 10:02:05,192 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 10:02:05,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,193 - INFO - number of orbitals:  135
-2024-12-03 10:02:05,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,193 - INFO - moving on ...
-2024-12-03 10:02:05,193 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 10:02:05,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,195 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,195 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,195 - INFO - moving on ...
-2024-12-03 10:02:05,195 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 10:02:05,195 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 10:02:05,195 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 10:02:05,195 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,195 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 10:02:05,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,196 - INFO - number of orbitals:  66
-2024-12-03 10:02:05,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,196 - INFO - moving on ...
-2024-12-03 10:02:05,196 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 10:02:05,196 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 10:02:05,197 - INFO - problem_instance short name: cr_dimer
-2024-12-03 10:02:05,197 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,197 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 10:02:05,197 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,197 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,197 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,198 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,198 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,199 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 10:02:05,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 10:02:05,199 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 10:02:05,204 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,205 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,205 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 10:02:05,205 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,205 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,207 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,207 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,207 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-03 10:02:05,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-03 10:02:05,207 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-03 10:02:05,213 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,213 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,213 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 10:02:05,213 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,213 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,213 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,215 - INFO - number of orbitals:  68
-2024-12-03 10:02:05,215 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,215 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,215 - INFO - moving on ...
-2024-12-03 10:02:05,215 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 10:02:05,215 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,215 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,215 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,217 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,217 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,217 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,217 - INFO - moving on ...
-2024-12-03 10:02:05,217 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 10:02:05,217 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,217 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,217 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,219 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,219 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,219 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 10:02:05,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 10:02:05,219 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 10:02:05,225 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,226 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,226 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 10:02:05,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,228 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,228 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,228 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-03 10:02:05,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-03 10:02:05,229 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-03 10:02:05,234 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,235 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,235 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 10:02:05,235 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,235 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,235 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,237 - INFO - number of orbitals:  68
-2024-12-03 10:02:05,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,237 - INFO - moving on ...
-2024-12-03 10:02:05,237 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 10:02:05,237 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,237 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,237 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,239 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,239 - INFO - moving on ...
-2024-12-03 10:02:05,239 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 10:02:05,239 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,240 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,240 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,241 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,241 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,241 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 10:02:05,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 10:02:05,241 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 10:02:05,254 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,254 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,254 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 10:02:05,254 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,254 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,254 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,256 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,256 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,257 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-03 10:02:05,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-03 10:02:05,257 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-03 10:02:05,262 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,263 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,263 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 10:02:05,263 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,263 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,263 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,265 - INFO - number of orbitals:  68
-2024-12-03 10:02:05,265 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,265 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,265 - INFO - moving on ...
-2024-12-03 10:02:05,265 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 10:02:05,265 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,265 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,265 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,267 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,267 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,267 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,267 - INFO - moving on ...
-2024-12-03 10:02:05,267 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 10:02:05,267 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 10:02:05,267 - INFO - problem_instance short name: Cr_1
-2024-12-03 10:02:05,267 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,267 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 10:02:05,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,269 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,269 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,269 - INFO - moving on ...
-2024-12-03 10:02:05,269 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 10:02:05,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,270 - INFO - number of orbitals:  135
-2024-12-03 10:02:05,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,270 - INFO - moving on ...
-2024-12-03 10:02:05,270 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 10:02:05,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,271 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,271 - INFO - moving on ...
-2024-12-03 10:02:05,271 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 10:02:05,272 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 10:02:05,272 - INFO - problem_instance short name: mo_n2
-2024-12-03 10:02:05,272 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,272 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 10:02:05,272 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,272 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,272 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,274 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,274 - INFO - moving on ...
-2024-12-03 10:02:05,274 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 10:02:05,274 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,274 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,274 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,276 - INFO - number of orbitals:  46
-2024-12-03 10:02:05,276 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,276 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,276 - INFO - moving on ...
-2024-12-03 10:02:05,276 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 10:02:05,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,276 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,276 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,278 - INFO - number of orbitals:  46
-2024-12-03 10:02:05,278 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,278 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,278 - INFO - moving on ...
-2024-12-03 10:02:05,278 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 10:02:05,278 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,278 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,278 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,280 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,280 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,280 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-03 10:02:05,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-03 10:02:05,280 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-03 10:02:05,286 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,286 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,286 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 10:02:05,286 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 10:02:05,286 - INFO - problem_instance short name: f2_0
-2024-12-03 10:02:05,286 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,286 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 10:02:05,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,288 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,288 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,288 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-03 10:02:05,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-03 10:02:05,288 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-03 10:02:05,294 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,294 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,294 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-03 10:02:05,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-03 10:02:05,294 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,294 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 10:02:05,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,296 - INFO - number of orbitals:  110
-2024-12-03 10:02:05,296 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,296 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,296 - INFO - moving on ...
-2024-12-03 10:02:05,296 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 10:02:05,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,297 - INFO - number of orbitals:  60
-2024-12-03 10:02:05,297 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,297 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,297 - INFO - moving on ...
-2024-12-03 10:02:05,297 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 10:02:05,297 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 10:02:05,297 - INFO - problem_instance short name: c_h4_0
-2024-12-03 10:02:05,297 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,297 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 10:02:05,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,298 - INFO - number of orbitals:  34
-2024-12-03 10:02:05,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,299 - INFO - moving on ...
-2024-12-03 10:02:05,299 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 10:02:05,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,300 - INFO - number of orbitals:  86
-2024-12-03 10:02:05,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,300 - INFO - moving on ...
-2024-12-03 10:02:05,300 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 10:02:05,300 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 10:02:05,300 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 10:02:05,300 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,300 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 10:02:05,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,301 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,302 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,302 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 10:02:05,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 10:02:05,302 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 10:02:05,307 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,308 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,308 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 10:02:05,308 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 10:02:05,308 - INFO - problem_instance short name: TiO_0
-2024-12-03 10:02:05,308 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,308 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 10:02:05,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,310 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,310 - INFO - moving on ...
-2024-12-03 10:02:05,310 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 10:02:05,310 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 10:02:05,310 - INFO - problem_instance short name: h_cl_0
-2024-12-03 10:02:05,310 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,310 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 10:02:05,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,311 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,311 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,312 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 10:02:05,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 10:02:05,312 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 10:02:05,317 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,318 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,318 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 10:02:05,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 10:02:05,318 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,318 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 10:02:05,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,319 - INFO - number of orbitals:  89
-2024-12-03 10:02:05,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,319 - INFO - moving on ...
-2024-12-03 10:02:05,319 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 10:02:05,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,321 - INFO - number of orbitals:  48
-2024-12-03 10:02:05,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,321 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,321 - INFO - moving on ...
-2024-12-03 10:02:05,321 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 10:02:05,321 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 10:02:05,321 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 10:02:05,321 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,321 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 10:02:05,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,322 - INFO - number of orbitals:  58
-2024-12-03 10:02:05,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,323 - INFO - moving on ...
-2024-12-03 10:02:05,323 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 10:02:05,323 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 10:02:05,323 - INFO - problem_instance short name: Fe_0
-2024-12-03 10:02:05,323 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,323 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 10:02:05,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,324 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,324 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,324 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,324 - INFO - moving on ...
-2024-12-03 10:02:05,324 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 10:02:05,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,325 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,326 - INFO - moving on ...
-2024-12-03 10:02:05,326 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 10:02:05,326 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 10:02:05,326 - INFO - problem_instance short name: na_cl_0
-2024-12-03 10:02:05,326 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,326 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 10:02:05,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,327 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,327 - INFO - moving on ...
-2024-12-03 10:02:05,327 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 10:02:05,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,328 - INFO - number of orbitals:  118
-2024-12-03 10:02:05,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,329 - INFO - moving on ...
-2024-12-03 10:02:05,329 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 10:02:05,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,330 - INFO - number of orbitals:  68
-2024-12-03 10:02:05,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,330 - INFO - moving on ...
-2024-12-03 10:02:05,330 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 10:02:05,330 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 10:02:05,330 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 10:02:05,330 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,330 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 10:02:05,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,331 - INFO - number of orbitals:  69
-2024-12-03 10:02:05,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,331 - INFO - moving on ...
-2024-12-03 10:02:05,332 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 10:02:05,332 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 10:02:05,332 - INFO - problem_instance short name: na2_0
-2024-12-03 10:02:05,332 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,332 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 10:02:05,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,333 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,333 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,333 - INFO - moving on ...
-2024-12-03 10:02:05,333 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 10:02:05,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,334 - INFO - number of orbitals:  118
-2024-12-03 10:02:05,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,334 - INFO - moving on ...
-2024-12-03 10:02:05,334 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 10:02:05,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,336 - INFO - number of orbitals:  68
-2024-12-03 10:02:05,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,336 - INFO - moving on ...
-2024-12-03 10:02:05,336 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 10:02:05,336 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 10:02:05,336 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 10:02:05,336 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,336 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 10:02:05,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,337 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,337 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,337 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 10:02:05,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 10:02:05,337 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 10:02:05,343 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,343 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,344 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 10:02:05,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 10:02:05,344 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,344 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 10:02:05,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,345 - INFO - number of orbitals:  115
-2024-12-03 10:02:05,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,345 - INFO - moving on ...
-2024-12-03 10:02:05,345 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 10:02:05,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,347 - INFO - number of orbitals:  58
-2024-12-03 10:02:05,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,347 - INFO - moving on ...
-2024-12-03 10:02:05,347 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 10:02:05,347 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 10:02:05,347 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 10:02:05,347 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,347 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 10:02:05,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,348 - INFO - number of orbitals:  38
-2024-12-03 10:02:05,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,348 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,348 - INFO - moving on ...
-2024-12-03 10:02:05,348 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 10:02:05,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,350 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,350 - INFO - moving on ...
-2024-12-03 10:02:05,350 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 10:02:05,350 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 10:02:05,350 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 10:02:05,350 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,350 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 10:02:05,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,351 - INFO - number of orbitals:  70
-2024-12-03 10:02:05,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,351 - INFO - moving on ...
-2024-12-03 10:02:05,351 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 10:02:05,352 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 10:02:05,352 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 10:02:05,352 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,352 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 10:02:05,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,353 - INFO - number of orbitals:  69
-2024-12-03 10:02:05,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,353 - INFO - moving on ...
-2024-12-03 10:02:05,353 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 10:02:05,353 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 10:02:05,353 - INFO - problem_instance short name: CrO_0
-2024-12-03 10:02:05,353 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,353 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 10:02:05,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,354 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,355 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,355 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,355 - INFO - moving on ...
-2024-12-03 10:02:05,355 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 10:02:05,355 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 10:02:05,355 - INFO - problem_instance short name: c_o_0
-2024-12-03 10:02:05,355 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,355 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 10:02:05,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,356 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,356 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,356 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-03 10:02:05,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-03 10:02:05,356 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-03 10:02:05,362 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,362 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,362 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-03 10:02:05,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-03 10:02:05,362 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,362 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 10:02:05,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,364 - INFO - number of orbitals:  110
-2024-12-03 10:02:05,364 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,364 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,364 - INFO - moving on ...
-2024-12-03 10:02:05,364 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 10:02:05,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,365 - INFO - number of orbitals:  60
-2024-12-03 10:02:05,365 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,365 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,365 - INFO - moving on ...
-2024-12-03 10:02:05,365 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 10:02:05,365 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 10:02:05,365 - INFO - problem_instance short name: benzene
-2024-12-03 10:02:05,365 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,365 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 10:02:05,365 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,365 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,366 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,367 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,367 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,367 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-03 10:02:05,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-03 10:02:05,367 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-03 10:02:05,373 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,373 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,373 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 10:02:05,373 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,375 - INFO - number of orbitals:  108
-2024-12-03 10:02:05,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,375 - INFO - moving on ...
-2024-12-03 10:02:05,375 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 10:02:05,376 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 10:02:05,376 - INFO - problem_instance short name: VO_0
-2024-12-03 10:02:05,376 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,376 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 10:02:05,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,377 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,377 - INFO - moving on ...
-2024-12-03 10:02:05,377 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 10:02:05,377 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 10:02:05,377 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 10:02:05,377 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,378 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 10:02:05,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,379 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,379 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,379 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-03 10:02:05,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-03 10:02:05,379 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-03 10:02:05,385 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,385 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,385 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 10:02:05,385 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 10:02:05,385 - INFO - problem_instance short name: n2_0
-2024-12-03 10:02:05,385 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,385 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 10:02:05,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,387 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,387 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,387 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-03 10:02:05,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-03 10:02:05,387 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-03 10:02:05,393 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,393 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,393 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-03 10:02:05,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-03 10:02:05,393 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,393 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 10:02:05,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,394 - INFO - number of orbitals:  110
-2024-12-03 10:02:05,394 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,394 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,394 - INFO - moving on ...
-2024-12-03 10:02:05,394 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 10:02:05,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,396 - INFO - number of orbitals:  60
-2024-12-03 10:02:05,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,396 - INFO - moving on ...
-2024-12-03 10:02:05,396 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 10:02:05,396 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 10:02:05,396 - INFO - problem_instance short name: fe_red
-2024-12-03 10:02:05,396 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,396 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 10:02:05,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,398 - INFO - number of orbitals:  45
-2024-12-03 10:02:05,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,398 - INFO - moving on ...
-2024-12-03 10:02:05,398 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 10:02:05,398 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,398 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,398 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,400 - INFO - number of orbitals:  53
-2024-12-03 10:02:05,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,400 - INFO - moving on ...
-2024-12-03 10:02:05,400 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 10:02:05,400 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,400 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,400 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,402 - INFO - number of orbitals:  58
-2024-12-03 10:02:05,402 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,402 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,402 - INFO - moving on ...
-2024-12-03 10:02:05,402 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 10:02:05,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,404 - INFO - number of orbitals:  44
-2024-12-03 10:02:05,404 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,404 - INFO - moving on ...
-2024-12-03 10:02:05,404 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 10:02:05,404 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,404 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,404 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,406 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,406 - INFO - moving on ...
-2024-12-03 10:02:05,406 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 10:02:05,406 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,406 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,406 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,408 - INFO - number of orbitals:  55
-2024-12-03 10:02:05,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,408 - INFO - moving on ...
-2024-12-03 10:02:05,408 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 10:02:05,408 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,408 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,408 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,410 - INFO - number of orbitals:  44
-2024-12-03 10:02:05,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,410 - INFO - moving on ...
-2024-12-03 10:02:05,410 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 10:02:05,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,412 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,412 - INFO - moving on ...
-2024-12-03 10:02:05,412 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 10:02:05,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,414 - INFO - number of orbitals:  55
-2024-12-03 10:02:05,414 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,414 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,414 - INFO - moving on ...
-2024-12-03 10:02:05,414 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 10:02:05,414 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 10:02:05,414 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 10:02:05,414 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,414 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 10:02:05,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,415 - INFO - number of orbitals:  38
-2024-12-03 10:02:05,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,416 - INFO - moving on ...
-2024-12-03 10:02:05,416 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 10:02:05,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,417 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,417 - INFO - moving on ...
-2024-12-03 10:02:05,417 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 10:02:05,417 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 10:02:05,417 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 10:02:05,417 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,417 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 10:02:05,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,418 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,418 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,418 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,419 - INFO - moving on ...
-2024-12-03 10:02:05,419 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 10:02:05,419 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 10:02:05,419 - INFO - problem_instance short name: ScO_0
-2024-12-03 10:02:05,419 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,419 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 10:02:05,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,420 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,420 - INFO - moving on ...
-2024-12-03 10:02:05,420 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 10:02:05,420 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 10:02:05,420 - INFO - problem_instance short name: Sc_1
-2024-12-03 10:02:05,420 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,420 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 10:02:05,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,421 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,422 - INFO - moving on ...
-2024-12-03 10:02:05,422 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 10:02:05,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,423 - INFO - number of orbitals:  135
-2024-12-03 10:02:05,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,423 - INFO - moving on ...
-2024-12-03 10:02:05,423 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 10:02:05,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,424 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,424 - INFO - moving on ...
-2024-12-03 10:02:05,424 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 10:02:05,424 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 10:02:05,424 - INFO - problem_instance short name: li2_0
-2024-12-03 10:02:05,424 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,424 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 10:02:05,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,426 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,426 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,426 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-03 10:02:05,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-03 10:02:05,426 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-03 10:02:05,431 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,432 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,432 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-03 10:02:05,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-03 10:02:05,432 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,432 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 10:02:05,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,433 - INFO - number of orbitals:  110
-2024-12-03 10:02:05,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,433 - INFO - moving on ...
-2024-12-03 10:02:05,433 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 10:02:05,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,435 - INFO - number of orbitals:  60
-2024-12-03 10:02:05,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,435 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,435 - INFO - moving on ...
-2024-12-03 10:02:05,435 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 10:02:05,435 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 10:02:05,436 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 10:02:05,436 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,436 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 10:02:05,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,437 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,437 - INFO - moving on ...
-2024-12-03 10:02:05,437 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 10:02:05,437 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 10:02:05,437 - INFO - problem_instance short name: ozone
-2024-12-03 10:02:05,437 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,437 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 10:02:05,437 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,437 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,437 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,439 - INFO - number of orbitals:  42
-2024-12-03 10:02:05,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,439 - INFO - moving on ...
-2024-12-03 10:02:05,439 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 10:02:05,439 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,439 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,439 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,441 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,441 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,441 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 10:02:05,441 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 10:02:05,441 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 10:02:05,447 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,447 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,447 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 10:02:05,447 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,447 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,449 - INFO - number of orbitals:  90
-2024-12-03 10:02:05,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,449 - INFO - moving on ...
-2024-12-03 10:02:05,449 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 10:02:05,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,450 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,450 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,451 - INFO - number of orbitals:  42
-2024-12-03 10:02:05,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,451 - INFO - moving on ...
-2024-12-03 10:02:05,452 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 10:02:05,452 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,452 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,452 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,453 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,453 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,453 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 10:02:05,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 10:02:05,454 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 10:02:05,459 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,460 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,460 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 10:02:05,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,462 - INFO - number of orbitals:  90
-2024-12-03 10:02:05,462 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,462 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,462 - INFO - moving on ...
-2024-12-03 10:02:05,462 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 10:02:05,462 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 10:02:05,462 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 10:02:05,462 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,462 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 10:02:05,463 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,463 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,463 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,464 - INFO - number of orbitals:  55
-2024-12-03 10:02:05,464 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,465 - INFO - moving on ...
-2024-12-03 10:02:05,465 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 10:02:05,465 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,465 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,465 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,467 - INFO - number of orbitals:  70
-2024-12-03 10:02:05,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,467 - INFO - moving on ...
-2024-12-03 10:02:05,467 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 10:02:05,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,469 - INFO - number of orbitals:  55
-2024-12-03 10:02:05,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,469 - INFO - moving on ...
-2024-12-03 10:02:05,469 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 10:02:05,469 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,469 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,469 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,471 - INFO - number of orbitals:  69
-2024-12-03 10:02:05,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,471 - INFO - moving on ...
-2024-12-03 10:02:05,471 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 10:02:05,471 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,471 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,471 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,473 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,473 - INFO - moving on ...
-2024-12-03 10:02:05,473 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 10:02:05,473 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,473 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,473 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,475 - INFO - number of orbitals:  45
-2024-12-03 10:02:05,475 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,475 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,475 - INFO - moving on ...
-2024-12-03 10:02:05,475 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 10:02:05,475 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,475 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,475 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,477 - INFO - number of orbitals:  55
-2024-12-03 10:02:05,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,477 - INFO - moving on ...
-2024-12-03 10:02:05,477 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 10:02:05,477 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,477 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,477 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,479 - INFO - number of orbitals:  69
-2024-12-03 10:02:05,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,479 - INFO - moving on ...
-2024-12-03 10:02:05,479 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 10:02:05,479 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,479 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,479 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,481 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,481 - INFO - moving on ...
-2024-12-03 10:02:05,481 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 10:02:05,481 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,481 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,481 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,483 - INFO - number of orbitals:  45
-2024-12-03 10:02:05,483 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,483 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,483 - INFO - moving on ...
-2024-12-03 10:02:05,483 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 10:02:05,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,485 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,485 - INFO - moving on ...
-2024-12-03 10:02:05,485 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 10:02:05,485 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,485 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,485 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,487 - INFO - number of orbitals:  45
-2024-12-03 10:02:05,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,487 - INFO - moving on ...
-2024-12-03 10:02:05,487 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 10:02:05,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,488 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,489 - INFO - moving on ...
-2024-12-03 10:02:05,489 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 10:02:05,489 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,489 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,489 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,490 - INFO - number of orbitals:  45
-2024-12-03 10:02:05,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,491 - INFO - moving on ...
-2024-12-03 10:02:05,491 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 10:02:05,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,493 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,493 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,493 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 10:02:05,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 10:02:05,493 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 10:02:05,499 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,499 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,499 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 10:02:05,500 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,500 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,500 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,501 - INFO - number of orbitals:  39
-2024-12-03 10:02:05,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,502 - INFO - moving on ...
-2024-12-03 10:02:05,502 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 10:02:05,502 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 10:02:05,502 - INFO - problem_instance short name: FeO_0
-2024-12-03 10:02:05,502 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,502 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 10:02:05,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,503 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,503 - INFO - moving on ...
-2024-12-03 10:02:05,503 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 10:02:05,504 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 10:02:05,504 - INFO - problem_instance short name: p_h3_0
-2024-12-03 10:02:05,504 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,504 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 10:02:05,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,505 - INFO - number of orbitals:  33
-2024-12-03 10:02:05,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,505 - INFO - moving on ...
-2024-12-03 10:02:05,505 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 10:02:05,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,506 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,506 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,506 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,506 - INFO - moving on ...
-2024-12-03 10:02:05,506 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 10:02:05,507 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 10:02:05,507 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 10:02:05,507 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,507 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 10:02:05,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,508 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,508 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,508 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 10:02:05,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 10:02:05,508 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 10:02:05,514 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,514 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,514 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 10:02:05,514 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 10:02:05,514 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 10:02:05,514 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,515 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 10:02:05,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,516 - INFO - number of orbitals:  38
-2024-12-03 10:02:05,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,516 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,516 - INFO - moving on ...
-2024-12-03 10:02:05,516 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 10:02:05,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,517 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,518 - INFO - moving on ...
-2024-12-03 10:02:05,518 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 10:02:05,518 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 10:02:05,518 - INFO - problem_instance short name: CuO_0
-2024-12-03 10:02:05,518 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,518 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 10:02:05,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,519 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,519 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,519 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,519 - INFO - moving on ...
-2024-12-03 10:02:05,519 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 10:02:05,520 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 10:02:05,520 - INFO - problem_instance short name: Cr_0
-2024-12-03 10:02:05,520 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,520 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 10:02:05,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,521 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,521 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,521 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,521 - INFO - moving on ...
-2024-12-03 10:02:05,521 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 10:02:05,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,522 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,522 - INFO - moving on ...
-2024-12-03 10:02:05,522 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 10:02:05,523 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 10:02:05,523 - INFO - problem_instance short name: Mn_0
-2024-12-03 10:02:05,523 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,523 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 10:02:05,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,524 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,524 - INFO - moving on ...
-2024-12-03 10:02:05,524 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 10:02:05,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,525 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,526 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,526 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,526 - INFO - moving on ...
-2024-12-03 10:02:05,526 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 10:02:05,526 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 10:02:05,526 - INFO - problem_instance short name: Fe_1
-2024-12-03 10:02:05,526 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,526 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 10:02:05,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,527 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,527 - INFO - moving on ...
-2024-12-03 10:02:05,527 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 10:02:05,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,528 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,529 - INFO - moving on ...
-2024-12-03 10:02:05,529 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 10:02:05,529 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 10:02:05,529 - INFO - problem_instance short name: Ti_0
-2024-12-03 10:02:05,529 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,529 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 10:02:05,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,530 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,530 - INFO - moving on ...
-2024-12-03 10:02:05,530 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 10:02:05,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,532 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,532 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,532 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,532 - INFO - moving on ...
-2024-12-03 10:02:05,532 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 10:02:05,532 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 10:02:05,532 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 10:02:05,532 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,532 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 10:02:05,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,533 - INFO - number of orbitals:  37
-2024-12-03 10:02:05,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,533 - INFO - moving on ...
-2024-12-03 10:02:05,533 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 10:02:05,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,534 - INFO - number of orbitals:  78
-2024-12-03 10:02:05,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,534 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,535 - INFO - moving on ...
-2024-12-03 10:02:05,535 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 10:02:05,535 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 10:02:05,535 - INFO - problem_instance short name: n_h3_0
-2024-12-03 10:02:05,535 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,535 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 10:02:05,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,536 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,536 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,536 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-03 10:02:05,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-03 10:02:05,536 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-03 10:02:05,542 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,542 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,542 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-03 10:02:05,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-03 10:02:05,543 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,543 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 10:02:05,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,544 - INFO - number of orbitals:  72
-2024-12-03 10:02:05,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,544 - INFO - moving on ...
-2024-12-03 10:02:05,544 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 10:02:05,544 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 10:02:05,544 - INFO - problem_instance short name: si_o_0
-2024-12-03 10:02:05,544 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,544 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 10:02:05,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,546 - INFO - number of orbitals:  32
-2024-12-03 10:02:05,546 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,546 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,546 - INFO - moving on ...
-2024-12-03 10:02:05,546 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 10:02:05,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,547 - INFO - number of orbitals:  114
-2024-12-03 10:02:05,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,547 - INFO - moving on ...
-2024-12-03 10:02:05,547 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 10:02:05,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,549 - INFO - number of orbitals:  64
-2024-12-03 10:02:05,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,549 - INFO - moving on ...
-2024-12-03 10:02:05,549 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 10:02:05,549 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 10:02:05,549 - INFO - problem_instance short name: c_s_0
-2024-12-03 10:02:05,549 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,549 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 10:02:05,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,550 - INFO - number of orbitals:  32
-2024-12-03 10:02:05,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,550 - INFO - moving on ...
-2024-12-03 10:02:05,550 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 10:02:05,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,551 - INFO - number of orbitals:  64
-2024-12-03 10:02:05,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,552 - INFO - moving on ...
-2024-12-03 10:02:05,552 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 10:02:05,552 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 10:02:05,552 - INFO - problem_instance short name: MnO_0
-2024-12-03 10:02:05,552 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,552 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 10:02:05,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,553 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,553 - INFO - moving on ...
-2024-12-03 10:02:05,554 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 10:02:05,554 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 10:02:05,554 - INFO - problem_instance short name: V_1
-2024-12-03 10:02:05,554 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,554 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 10:02:05,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,555 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,555 - INFO - moving on ...
-2024-12-03 10:02:05,555 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 10:02:05,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,556 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,557 - INFO - moving on ...
-2024-12-03 10:02:05,557 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 10:02:05,557 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 10:02:05,557 - INFO - problem_instance short name: mn_mono
-2024-12-03 10:02:05,557 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,557 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 10:02:05,557 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,559 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,559 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,559 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 10:02:05,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 10:02:05,559 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 10:02:05,564 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,565 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,565 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 10:02:05,565 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,567 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,567 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,567 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-03 10:02:05,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-03 10:02:05,567 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-03 10:02:05,573 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,573 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,573 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 10:02:05,573 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,573 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,573 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,575 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,575 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,575 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 10:02:05,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 10:02:05,575 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 10:02:05,581 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,581 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,581 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 10:02:05,581 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,582 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,582 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,584 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,584 - INFO - moving on ...
-2024-12-03 10:02:05,584 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 10:02:05,584 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,584 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,584 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,586 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,586 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,586 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 10:02:05,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 10:02:05,586 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 10:02:05,593 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,593 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,593 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 10:02:05,593 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,593 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,593 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,595 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,595 - INFO - moving on ...
-2024-12-03 10:02:05,596 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 10:02:05,596 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,596 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,596 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,598 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,598 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,598 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 10:02:05,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 10:02:05,598 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 10:02:05,605 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,605 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,605 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 10:02:05,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,605 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,605 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,607 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,607 - INFO - moving on ...
-2024-12-03 10:02:05,607 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 10:02:05,607 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 10:02:05,608 - INFO - problem_instance short name: li_h_0
-2024-12-03 10:02:05,608 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,608 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 10:02:05,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,609 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,609 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,609 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 10:02:05,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 10:02:05,609 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 10:02:05,616 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,617 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,617 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 10:02:05,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 10:02:05,617 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,617 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 10:02:05,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,619 - INFO - number of orbitals:  85
-2024-12-03 10:02:05,619 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,619 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,619 - INFO - moving on ...
-2024-12-03 10:02:05,619 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 10:02:05,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,620 - INFO - number of orbitals:  44
-2024-12-03 10:02:05,620 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,620 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,620 - INFO - moving on ...
-2024-12-03 10:02:05,620 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 10:02:05,621 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 10:02:05,621 - INFO - problem_instance short name: mo2_n2
-2024-12-03 10:02:05,621 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,621 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 10:02:05,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,621 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,621 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,623 - INFO - number of orbitals:  69
-2024-12-03 10:02:05,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,623 - INFO - moving on ...
-2024-12-03 10:02:05,623 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 10:02:05,623 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,623 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,623 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,625 - INFO - number of orbitals:  70
-2024-12-03 10:02:05,625 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,625 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,625 - INFO - moving on ...
-2024-12-03 10:02:05,625 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 10:02:05,625 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,625 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,625 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,627 - INFO - number of orbitals:  69
-2024-12-03 10:02:05,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,627 - INFO - moving on ...
-2024-12-03 10:02:05,627 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 10:02:05,628 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 10:02:05,628 - INFO - problem_instance short name: ru_macho
-2024-12-03 10:02:05,628 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,628 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 10:02:05,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,630 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,630 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,630 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 10:02:05,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 10:02:05,630 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 10:02:05,636 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,636 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,636 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 10:02:05,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,637 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,637 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,639 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,639 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,639 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 10:02:05,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 10:02:05,639 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 10:02:05,644 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,645 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,645 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 10:02:05,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,647 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,647 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,647 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 10:02:05,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 10:02:05,647 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 10:02:05,654 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,654 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,654 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 10:02:05,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,656 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,656 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,656 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 10:02:05,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 10:02:05,656 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 10:02:05,662 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,663 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,663 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 10:02:05,663 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,663 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,663 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,665 - INFO - number of orbitals:  33
-2024-12-03 10:02:05,666 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,666 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,666 - INFO - moving on ...
-2024-12-03 10:02:05,666 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 10:02:05,666 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,666 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,666 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,668 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,668 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,668 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 10:02:05,668 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 10:02:05,668 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 10:02:05,674 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,675 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,675 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 10:02:05,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,675 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,675 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,677 - INFO - number of orbitals:  45
-2024-12-03 10:02:05,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,678 - INFO - moving on ...
-2024-12-03 10:02:05,678 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 10:02:05,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,678 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,680 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,680 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,680 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 10:02:05,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 10:02:05,680 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 10:02:05,686 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,687 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,687 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 10:02:05,687 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,687 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,687 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,689 - INFO - number of orbitals:  42
-2024-12-03 10:02:05,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,689 - INFO - moving on ...
-2024-12-03 10:02:05,689 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 10:02:05,690 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 10:02:05,690 - INFO - problem_instance short name: h2_o_0
-2024-12-03 10:02:05,690 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,690 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 10:02:05,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,691 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,691 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,691 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 10:02:05,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 10:02:05,691 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 10:02:05,697 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,697 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,697 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 10:02:05,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 10:02:05,697 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,697 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 10:02:05,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,699 - INFO - number of orbitals:  115
-2024-12-03 10:02:05,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,699 - INFO - moving on ...
-2024-12-03 10:02:05,699 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 10:02:05,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,700 - INFO - number of orbitals:  58
-2024-12-03 10:02:05,700 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,700 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,700 - INFO - moving on ...
-2024-12-03 10:02:05,700 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 10:02:05,701 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 10:02:05,701 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 10:02:05,701 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,701 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 10:02:05,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,702 - INFO - number of orbitals:  31
-2024-12-03 10:02:05,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,702 - INFO - moving on ...
-2024-12-03 10:02:05,702 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 10:02:05,702 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 10:02:05,702 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 10:02:05,702 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,702 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 10:02:05,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,704 - INFO - number of orbitals:  48
-2024-12-03 10:02:05,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,704 - INFO - moving on ...
-2024-12-03 10:02:05,704 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 10:02:05,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,705 - INFO - number of orbitals:  116
-2024-12-03 10:02:05,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,705 - INFO - moving on ...
-2024-12-03 10:02:05,705 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 10:02:05,705 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 10:02:05,705 - INFO - problem_instance short name: be_0
-2024-12-03 10:02:05,705 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,705 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 10:02:05,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,706 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,707 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,707 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 10:02:05,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 10:02:05,707 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 10:02:05,712 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,712 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,712 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 10:02:05,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 10:02:05,713 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,713 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 10:02:05,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,714 - INFO - number of orbitals:  55
-2024-12-03 10:02:05,714 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,714 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,714 - INFO - moving on ...
-2024-12-03 10:02:05,714 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 10:02:05,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,715 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,715 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,715 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-03 10:02:05,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-03 10:02:05,715 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-03 10:02:05,721 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,721 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,722 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-03 10:02:05,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-03 10:02:05,722 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,722 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 10:02:05,722 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 10:02:05,722 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 10:02:05,722 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,722 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 10:02:05,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,724 - INFO - number of orbitals:  48
-2024-12-03 10:02:05,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,724 - INFO - moving on ...
-2024-12-03 10:02:05,724 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 10:02:05,724 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 10:02:05,724 - INFO - problem_instance short name: ru_mono
-2024-12-03 10:02:05,724 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,724 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 10:02:05,724 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,727 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,727 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,727 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 10:02:05,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 10:02:05,727 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 10:02:05,733 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,734 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,734 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 10:02:05,734 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,734 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,734 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,736 - INFO - number of orbitals:  34
-2024-12-03 10:02:05,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,736 - INFO - moving on ...
-2024-12-03 10:02:05,736 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 10:02:05,736 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,736 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,737 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,738 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,739 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,739 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 10:02:05,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 10:02:05,739 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 10:02:05,744 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,745 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,745 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 10:02:05,745 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,745 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,745 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,747 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,747 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,747 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,747 - INFO - moving on ...
-2024-12-03 10:02:05,747 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 10:02:05,747 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,747 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,747 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,749 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,749 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,749 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 10:02:05,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 10:02:05,749 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 10:02:05,755 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,756 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,756 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 10:02:05,756 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,756 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,756 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,758 - INFO - number of orbitals:  34
-2024-12-03 10:02:05,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,758 - INFO - moving on ...
-2024-12-03 10:02:05,758 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 10:02:05,758 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 10:02:05,758 - INFO - problem_instance short name: s_o2_0
-2024-12-03 10:02:05,758 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,758 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 10:02:05,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,759 - INFO - number of orbitals:  46
-2024-12-03 10:02:05,760 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,760 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,760 - INFO - moving on ...
-2024-12-03 10:02:05,760 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 10:02:05,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,761 - INFO - number of orbitals:  94
-2024-12-03 10:02:05,761 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,761 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,761 - INFO - moving on ...
-2024-12-03 10:02:05,761 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 10:02:05,761 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 10:02:05,761 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 10:02:05,761 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,761 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 10:02:05,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,762 - INFO - number of orbitals:  33
-2024-12-03 10:02:05,762 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,763 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,763 - INFO - moving on ...
-2024-12-03 10:02:05,763 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 10:02:05,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,764 - INFO - number of orbitals:  74
-2024-12-03 10:02:05,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,764 - INFO - moving on ...
-2024-12-03 10:02:05,764 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 10:02:05,764 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 10:02:05,764 - INFO - problem_instance short name: si_h4_0
-2024-12-03 10:02:05,764 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,764 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 10:02:05,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,765 - INFO - number of orbitals:  38
-2024-12-03 10:02:05,765 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,765 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,765 - INFO - moving on ...
-2024-12-03 10:02:05,765 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 10:02:05,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,767 - INFO - number of orbitals:  90
-2024-12-03 10:02:05,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,767 - INFO - moving on ...
-2024-12-03 10:02:05,767 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 10:02:05,767 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 10:02:05,767 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 10:02:05,767 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,767 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 10:02:05,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,768 - INFO - number of orbitals:  47
-2024-12-03 10:02:05,768 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,768 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,768 - INFO - moving on ...
-2024-12-03 10:02:05,768 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 10:02:05,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,770 - INFO - number of orbitals:  106
-2024-12-03 10:02:05,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-03 10:02:05,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,770 - INFO - moving on ...
-2024-12-03 10:02:05,770 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 10:02:05,770 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 10:02:05,770 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 10:02:05,770 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,770 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 10:02:05,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,771 - INFO - number of orbitals:  69
-2024-12-03 10:02:05,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,771 - INFO - moving on ...
-2024-12-03 10:02:05,771 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 10:02:05,771 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 10:02:05,771 - INFO - problem_instance short name: MnO_0
-2024-12-03 10:02:05,771 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,772 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 10:02:05,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,773 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,773 - INFO - moving on ...
-2024-12-03 10:02:05,773 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 10:02:05,773 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 10:02:05,773 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 10:02:05,773 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,773 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 10:02:05,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,774 - INFO - number of orbitals:  52
-2024-12-03 10:02:05,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,774 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,774 - INFO - moving on ...
-2024-12-03 10:02:05,774 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 10:02:05,775 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 10:02:05,775 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 10:02:05,775 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,775 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 10:02:05,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,776 - INFO - number of orbitals:  58
-2024-12-03 10:02:05,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,776 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,776 - INFO - moving on ...
-2024-12-03 10:02:05,776 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 10:02:05,776 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 10:02:05,776 - INFO - problem_instance short name: na2_0
-2024-12-03 10:02:05,776 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,776 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 10:02:05,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,778 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,778 - INFO - moving on ...
-2024-12-03 10:02:05,778 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 10:02:05,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,779 - INFO - number of orbitals:  118
-2024-12-03 10:02:05,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,779 - INFO - moving on ...
-2024-12-03 10:02:05,779 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 10:02:05,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,780 - INFO - number of orbitals:  68
-2024-12-03 10:02:05,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,780 - INFO - moving on ...
-2024-12-03 10:02:05,780 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 10:02:05,780 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 10:02:05,781 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 10:02:05,781 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,781 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 10:02:05,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,782 - INFO - number of orbitals:  38
-2024-12-03 10:02:05,782 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,782 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,782 - INFO - moving on ...
-2024-12-03 10:02:05,782 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 10:02:05,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,783 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,783 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,783 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,783 - INFO - moving on ...
-2024-12-03 10:02:05,783 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 10:02:05,783 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 10:02:05,783 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 10:02:05,784 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,784 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 10:02:05,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,785 - INFO - number of orbitals:  70
-2024-12-03 10:02:05,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,785 - INFO - moving on ...
-2024-12-03 10:02:05,785 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 10:02:05,785 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 10:02:05,785 - INFO - problem_instance short name: h_f_0
-2024-12-03 10:02:05,785 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,785 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 10:02:05,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,786 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,786 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,786 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 10:02:05,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 10:02:05,787 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 10:02:05,792 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,793 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,793 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 10:02:05,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 10:02:05,793 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,793 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 10:02:05,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,794 - INFO - number of orbitals:  85
-2024-12-03 10:02:05,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,794 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,794 - INFO - moving on ...
-2024-12-03 10:02:05,794 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 10:02:05,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,796 - INFO - number of orbitals:  44
-2024-12-03 10:02:05,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,796 - INFO - moving on ...
-2024-12-03 10:02:05,796 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 10:02:05,796 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 10:02:05,796 - INFO - problem_instance short name: n_h3_0
-2024-12-03 10:02:05,796 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,796 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 10:02:05,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,797 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,798 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,798 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-03 10:02:05,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-03 10:02:05,798 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-03 10:02:05,804 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,804 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,804 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-03 10:02:05,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-03 10:02:05,804 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,804 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 10:02:05,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,806 - INFO - number of orbitals:  72
-2024-12-03 10:02:05,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,806 - INFO - moving on ...
-2024-12-03 10:02:05,806 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 10:02:05,806 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 10:02:05,806 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 10:02:05,806 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,806 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 10:02:05,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,807 - INFO - number of orbitals:  66
-2024-12-03 10:02:05,807 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,807 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,807 - INFO - moving on ...
-2024-12-03 10:02:05,807 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 10:02:05,808 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 10:02:05,808 - INFO - problem_instance short name: ozone
-2024-12-03 10:02:05,808 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,808 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 10:02:05,808 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,808 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,808 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,810 - INFO - number of orbitals:  42
-2024-12-03 10:02:05,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,810 - INFO - moving on ...
-2024-12-03 10:02:05,810 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 10:02:05,810 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,810 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,810 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,812 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,812 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,812 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 10:02:05,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 10:02:05,812 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 10:02:05,818 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,818 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,818 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 10:02:05,818 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,819 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,819 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,821 - INFO - number of orbitals:  90
-2024-12-03 10:02:05,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,821 - INFO - moving on ...
-2024-12-03 10:02:05,821 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 10:02:05,821 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,823 - INFO - number of orbitals:  42
-2024-12-03 10:02:05,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,823 - INFO - moving on ...
-2024-12-03 10:02:05,823 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 10:02:05,823 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,824 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,824 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,826 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,826 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,826 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 10:02:05,826 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 10:02:05,826 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 10:02:05,832 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,832 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,832 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 10:02:05,832 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,833 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,833 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,834 - INFO - number of orbitals:  90
-2024-12-03 10:02:05,835 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,835 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,835 - INFO - moving on ...
-2024-12-03 10:02:05,835 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 10:02:05,835 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 10:02:05,835 - INFO - problem_instance short name: f2_0
-2024-12-03 10:02:05,835 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,835 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 10:02:05,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,836 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,836 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,837 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-03 10:02:05,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-03 10:02:05,837 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-03 10:02:05,843 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,843 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,843 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-03 10:02:05,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-03 10:02:05,844 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,844 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 10:02:05,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,845 - INFO - number of orbitals:  110
-2024-12-03 10:02:05,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,845 - INFO - moving on ...
-2024-12-03 10:02:05,845 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 10:02:05,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,847 - INFO - number of orbitals:  60
-2024-12-03 10:02:05,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,847 - INFO - moving on ...
-2024-12-03 10:02:05,847 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 10:02:05,847 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 10:02:05,847 - INFO - problem_instance short name: Sc_0
-2024-12-03 10:02:05,847 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,847 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 10:02:05,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,849 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,849 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,849 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,849 - INFO - moving on ...
-2024-12-03 10:02:05,849 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 10:02:05,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,850 - INFO - number of orbitals:  135
-2024-12-03 10:02:05,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,850 - INFO - moving on ...
-2024-12-03 10:02:05,850 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 10:02:05,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,852 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,852 - INFO - moving on ...
-2024-12-03 10:02:05,852 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 10:02:05,852 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 10:02:05,852 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 10:02:05,852 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,852 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 10:02:05,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,854 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,854 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,854 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-03 10:02:05,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-03 10:02:05,854 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-03 10:02:05,860 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,860 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,860 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 10:02:05,860 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 10:02:05,861 - INFO - problem_instance short name: O_0
-2024-12-03 10:02:05,861 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,861 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 10:02:05,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,862 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,862 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,862 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-03 10:02:05,862 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-03 10:02:05,862 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-03 10:02:05,869 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,869 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,869 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-03 10:02:05,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-03 10:02:05,869 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,869 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 10:02:05,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,871 - INFO - number of orbitals:  79
-2024-12-03 10:02:05,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,871 - INFO - moving on ...
-2024-12-03 10:02:05,871 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 10:02:05,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,873 - INFO - number of orbitals:  45
-2024-12-03 10:02:05,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,873 - INFO - moving on ...
-2024-12-03 10:02:05,873 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 10:02:05,873 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 10:02:05,873 - INFO - problem_instance short name: V_0
-2024-12-03 10:02:05,873 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,873 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 10:02:05,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,874 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,874 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,874 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,875 - INFO - moving on ...
-2024-12-03 10:02:05,875 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 10:02:05,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,876 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,876 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,876 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,876 - INFO - moving on ...
-2024-12-03 10:02:05,876 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 10:02:05,876 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 10:02:05,876 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 10:02:05,876 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,877 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 10:02:05,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,878 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,878 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,878 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 10:02:05,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 10:02:05,878 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 10:02:05,886 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,887 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,887 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 10:02:05,887 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 10:02:05,887 - INFO - problem_instance short name: TiO_0
-2024-12-03 10:02:05,887 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,887 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 10:02:05,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,889 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,889 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,889 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,889 - INFO - moving on ...
-2024-12-03 10:02:05,889 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 10:02:05,889 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 10:02:05,889 - INFO - problem_instance short name: Ti_0
-2024-12-03 10:02:05,889 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,889 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 10:02:05,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,891 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,891 - INFO - moving on ...
-2024-12-03 10:02:05,891 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 10:02:05,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,892 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,892 - INFO - moving on ...
-2024-12-03 10:02:05,892 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 10:02:05,892 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 10:02:05,893 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 10:02:05,893 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,893 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 10:02:05,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,894 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,894 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,894 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 10:02:05,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 10:02:05,894 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 10:02:05,900 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,901 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,901 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 10:02:05,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 10:02:05,901 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,901 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 10:02:05,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,902 - INFO - number of orbitals:  115
-2024-12-03 10:02:05,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,903 - INFO - moving on ...
-2024-12-03 10:02:05,903 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 10:02:05,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,904 - INFO - number of orbitals:  58
-2024-12-03 10:02:05,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,904 - INFO - moving on ...
-2024-12-03 10:02:05,904 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 10:02:05,904 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 10:02:05,904 - INFO - problem_instance short name: si_o_0
-2024-12-03 10:02:05,904 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,904 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 10:02:05,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,906 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,906 - INFO - number of supporting files: 2
-2024-12-03 10:02:05,906 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-03 10:02:05,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-03 10:02:05,906 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-03 10:02:05,912 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,912 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,912 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-03 10:02:05,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-03 10:02:05,912 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:05,912 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 10:02:05,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,913 - INFO - number of orbitals:  114
-2024-12-03 10:02:05,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,913 - INFO - moving on ...
-2024-12-03 10:02:05,913 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 10:02:05,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,915 - INFO - number of orbitals:  64
-2024-12-03 10:02:05,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,915 - INFO - moving on ...
-2024-12-03 10:02:05,915 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 10:02:05,915 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 10:02:05,915 - INFO - problem_instance short name: CuO_0
-2024-12-03 10:02:05,915 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,915 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 10:02:05,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,916 - INFO - number of orbitals:  76
-2024-12-03 10:02:05,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,916 - INFO - moving on ...
-2024-12-03 10:02:05,916 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 10:02:05,917 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 10:02:05,917 - INFO - problem_instance short name: Fe_1
-2024-12-03 10:02:05,917 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,917 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 10:02:05,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,918 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,918 - INFO - moving on ...
-2024-12-03 10:02:05,918 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 10:02:05,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,919 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,920 - INFO - moving on ...
-2024-12-03 10:02:05,921 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 10:02:05,921 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 10:02:05,921 - INFO - problem_instance short name: Ti_1
-2024-12-03 10:02:05,921 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,921 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 10:02:05,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,922 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,922 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,922 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,922 - INFO - moving on ...
-2024-12-03 10:02:05,922 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 10:02:05,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,925 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,926 - INFO - moving on ...
-2024-12-03 10:02:05,926 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 10:02:05,926 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 10:02:05,926 - INFO - problem_instance short name: Cr_1
-2024-12-03 10:02:05,926 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,926 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 10:02:05,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,927 - INFO - number of orbitals:  54
-2024-12-03 10:02:05,927 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,927 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,927 - INFO - moving on ...
-2024-12-03 10:02:05,927 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 10:02:05,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,929 - INFO - number of orbitals:  135
-2024-12-03 10:02:05,929 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,929 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,929 - INFO - moving on ...
-2024-12-03 10:02:05,929 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 10:02:05,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,930 - INFO - number of orbitals:  88
-2024-12-03 10:02:05,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,930 - INFO - moving on ...
-2024-12-03 10:02:05,930 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 10:02:05,930 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 10:02:05,930 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 10:02:05,930 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,930 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 10:02:05,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,932 - INFO - number of orbitals:  48
-2024-12-03 10:02:05,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,932 - INFO - moving on ...
-2024-12-03 10:02:05,932 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 10:02:05,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,933 - INFO - number of orbitals:  116
-2024-12-03 10:02:05,933 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,933 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,933 - INFO - moving on ...
-2024-12-03 10:02:05,933 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 10:02:05,934 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 10:02:05,934 - INFO - problem_instance short name: blue_dimer
-2024-12-03 10:02:05,934 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:05,934 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 10:02:05,934 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,934 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,934 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,936 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,936 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,936 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 10:02:05,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 10:02:05,936 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 10:02:05,941 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,941 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,942 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 10:02:05,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,942 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,943 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,944 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,944 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 10:02:05,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 10:02:05,944 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 10:02:05,950 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,950 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,950 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 10:02:05,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,950 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,950 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,952 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,953 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,953 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-03 10:02:05,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-03 10:02:05,953 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-03 10:02:05,959 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,959 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,959 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 10:02:05,959 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,959 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,959 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,962 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,962 - INFO - moving on ...
-2024-12-03 10:02:05,962 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 10:02:05,962 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,964 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,964 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,964 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 10:02:05,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 10:02:05,964 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 10:02:05,970 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,970 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,970 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 10:02:05,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,972 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,972 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,972 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 10:02:05,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 10:02:05,973 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 10:02:05,979 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,979 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,979 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 10:02:05,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,980 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,982 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,982 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,982 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-03 10:02:05,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-03 10:02:05,982 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-03 10:02:05,989 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:05,989 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-03 10:02:05,989 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 10:02:05,989 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,989 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,989 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,991 - INFO - number of orbitals:  36
-2024-12-03 10:02:05,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:05,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:05,992 - INFO - moving on ...
-2024-12-03 10:02:05,992 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 10:02:05,992 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:05,992 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:05,992 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:05,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:05,995 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:05,995 - INFO - number of supporting files: 1
-2024-12-03 10:02:05,995 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 10:02:05,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 10:02:05,995 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 10:02:06,003 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,003 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,003 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 10:02:06,004 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,004 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,004 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,007 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,007 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,007 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-03 10:02:06,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-03 10:02:06,007 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-03 10:02:06,015 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,015 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,016 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 10:02:06,016 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,016 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,016 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,018 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,019 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,019 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-03 10:02:06,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-03 10:02:06,019 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-03 10:02:06,027 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,027 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,027 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 10:02:06,027 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,027 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,027 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,030 - INFO - number of orbitals:  36
-2024-12-03 10:02:06,030 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,030 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,030 - INFO - moving on ...
-2024-12-03 10:02:06,030 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 10:02:06,030 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 10:02:06,030 - INFO - problem_instance short name: li_f_0
-2024-12-03 10:02:06,030 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,030 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 10:02:06,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,032 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,032 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,032 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-03 10:02:06,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-03 10:02:06,032 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-03 10:02:06,039 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,040 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,040 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-03 10:02:06,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-03 10:02:06,040 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,040 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 10:02:06,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,042 - INFO - number of orbitals:  110
-2024-12-03 10:02:06,042 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,042 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,042 - INFO - moving on ...
-2024-12-03 10:02:06,042 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 10:02:06,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,043 - INFO - number of orbitals:  60
-2024-12-03 10:02:06,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,043 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,043 - INFO - moving on ...
-2024-12-03 10:02:06,043 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 10:02:06,043 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 10:02:06,043 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 10:02:06,043 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,044 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 10:02:06,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,045 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,045 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,045 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 10:02:06,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 10:02:06,045 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 10:02:06,051 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,051 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,051 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 10:02:06,052 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 10:02:06,052 - INFO - problem_instance short name: h_cl_0
-2024-12-03 10:02:06,052 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,052 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 10:02:06,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,054 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,054 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,054 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 10:02:06,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 10:02:06,054 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 10:02:06,062 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,062 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,062 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 10:02:06,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 10:02:06,063 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,063 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 10:02:06,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,065 - INFO - number of orbitals:  89
-2024-12-03 10:02:06,065 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,065 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,065 - INFO - moving on ...
-2024-12-03 10:02:06,065 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 10:02:06,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,067 - INFO - number of orbitals:  48
-2024-12-03 10:02:06,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,067 - INFO - moving on ...
-2024-12-03 10:02:06,067 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 10:02:06,067 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 10:02:06,067 - INFO - problem_instance short name: mo2_n2
-2024-12-03 10:02:06,067 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,067 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 10:02:06,067 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,068 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,068 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,070 - INFO - number of orbitals:  69
-2024-12-03 10:02:06,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,070 - INFO - moving on ...
-2024-12-03 10:02:06,070 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 10:02:06,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,071 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,071 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,073 - INFO - number of orbitals:  70
-2024-12-03 10:02:06,073 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,073 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,073 - INFO - moving on ...
-2024-12-03 10:02:06,073 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 10:02:06,073 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,074 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,074 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,076 - INFO - number of orbitals:  69
-2024-12-03 10:02:06,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,076 - INFO - moving on ...
-2024-12-03 10:02:06,076 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 10:02:06,076 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 10:02:06,076 - INFO - problem_instance short name: p_h3_0
-2024-12-03 10:02:06,076 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,077 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 10:02:06,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,078 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,078 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,078 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-03 10:02:06,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-03 10:02:06,078 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-03 10:02:06,084 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,085 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,085 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-03 10:02:06,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-03 10:02:06,085 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,085 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 10:02:06,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,087 - INFO - number of orbitals:  76
-2024-12-03 10:02:06,087 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,087 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,087 - INFO - moving on ...
-2024-12-03 10:02:06,087 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 10:02:06,087 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 10:02:06,087 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 10:02:06,087 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,087 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 10:02:06,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,089 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,089 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,089 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-03 10:02:06,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-03 10:02:06,089 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-03 10:02:06,097 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,097 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,098 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 10:02:06,098 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 10:02:06,098 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 10:02:06,098 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,098 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 10:02:06,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,100 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,100 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,100 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 10:02:06,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 10:02:06,100 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 10:02:06,106 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,107 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,107 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 10:02:06,107 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 10:02:06,107 - INFO - problem_instance short name: Cu_0
-2024-12-03 10:02:06,107 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,107 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 10:02:06,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,109 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,109 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,109 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,109 - INFO - moving on ...
-2024-12-03 10:02:06,109 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 10:02:06,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,111 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,111 - INFO - moving on ...
-2024-12-03 10:02:06,111 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 10:02:06,111 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 10:02:06,111 - INFO - problem_instance short name: VO_0
-2024-12-03 10:02:06,111 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,111 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 10:02:06,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,113 - INFO - number of orbitals:  76
-2024-12-03 10:02:06,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,113 - INFO - moving on ...
-2024-12-03 10:02:06,113 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 10:02:06,113 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 10:02:06,113 - INFO - problem_instance short name: cl2_0
-2024-12-03 10:02:06,113 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,113 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 10:02:06,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,115 - INFO - number of orbitals:  36
-2024-12-03 10:02:06,115 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,115 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,115 - INFO - moving on ...
-2024-12-03 10:02:06,115 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 10:02:06,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,116 - INFO - number of orbitals:  118
-2024-12-03 10:02:06,116 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,116 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,116 - INFO - moving on ...
-2024-12-03 10:02:06,116 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 10:02:06,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,118 - INFO - number of orbitals:  68
-2024-12-03 10:02:06,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,118 - INFO - moving on ...
-2024-12-03 10:02:06,118 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 10:02:06,118 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 10:02:06,118 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 10:02:06,118 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,118 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 10:02:06,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,119 - INFO - number of orbitals:  48
-2024-12-03 10:02:06,119 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,119 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,119 - INFO - moving on ...
-2024-12-03 10:02:06,119 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 10:02:06,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,121 - INFO - number of orbitals:  116
-2024-12-03 10:02:06,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,121 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,121 - INFO - moving on ...
-2024-12-03 10:02:06,121 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 10:02:06,121 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 10:02:06,121 - INFO - problem_instance short name: FeO_0
-2024-12-03 10:02:06,121 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,121 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 10:02:06,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,122 - INFO - number of orbitals:  76
-2024-12-03 10:02:06,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,123 - INFO - moving on ...
-2024-12-03 10:02:06,123 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 10:02:06,123 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 10:02:06,123 - INFO - problem_instance short name: li_h_0
-2024-12-03 10:02:06,123 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,123 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 10:02:06,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,124 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,124 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,124 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 10:02:06,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 10:02:06,125 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 10:02:06,131 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,132 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,132 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 10:02:06,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 10:02:06,132 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,132 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 10:02:06,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,134 - INFO - number of orbitals:  85
-2024-12-03 10:02:06,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,134 - INFO - moving on ...
-2024-12-03 10:02:06,134 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 10:02:06,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,136 - INFO - number of orbitals:  44
-2024-12-03 10:02:06,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,136 - INFO - moving on ...
-2024-12-03 10:02:06,136 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 10:02:06,137 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 10:02:06,137 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 10:02:06,137 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,137 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 10:02:06,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,139 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,139 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,139 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-03 10:02:06,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-03 10:02:06,139 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-03 10:02:06,145 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,145 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,145 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-03 10:02:06,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-03 10:02:06,145 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,145 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 10:02:06,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,147 - INFO - number of orbitals:  119
-2024-12-03 10:02:06,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,147 - INFO - moving on ...
-2024-12-03 10:02:06,147 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 10:02:06,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,148 - INFO - number of orbitals:  62
-2024-12-03 10:02:06,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,148 - INFO - moving on ...
-2024-12-03 10:02:06,148 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 10:02:06,149 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 10:02:06,149 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 10:02:06,149 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,149 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 10:02:06,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,150 - INFO - number of orbitals:  38
-2024-12-03 10:02:06,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,150 - INFO - moving on ...
-2024-12-03 10:02:06,151 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 10:02:06,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,152 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,152 - INFO - moving on ...
-2024-12-03 10:02:06,152 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 10:02:06,153 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 10:02:06,153 - INFO - problem_instance short name: s_o2_0
-2024-12-03 10:02:06,153 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,153 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 10:02:06,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,154 - INFO - number of orbitals:  46
-2024-12-03 10:02:06,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,155 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,155 - INFO - moving on ...
-2024-12-03 10:02:06,155 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 10:02:06,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,156 - INFO - number of orbitals:  94
-2024-12-03 10:02:06,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,156 - INFO - moving on ...
-2024-12-03 10:02:06,156 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 10:02:06,156 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 10:02:06,156 - INFO - problem_instance short name: c_s_0
-2024-12-03 10:02:06,156 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,157 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 10:02:06,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,158 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,158 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,158 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-03 10:02:06,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-03 10:02:06,158 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-03 10:02:06,164 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,164 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,165 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-03 10:02:06,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-03 10:02:06,165 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,165 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 10:02:06,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,166 - INFO - number of orbitals:  64
-2024-12-03 10:02:06,167 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,167 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,167 - INFO - moving on ...
-2024-12-03 10:02:06,167 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 10:02:06,167 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 10:02:06,167 - INFO - problem_instance short name: Cu_1
-2024-12-03 10:02:06,167 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,167 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 10:02:06,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,169 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,169 - INFO - moving on ...
-2024-12-03 10:02:06,169 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 10:02:06,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,171 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,171 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,171 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,171 - INFO - moving on ...
-2024-12-03 10:02:06,171 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 10:02:06,171 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 10:02:06,171 - INFO - problem_instance short name: Mn_1
-2024-12-03 10:02:06,171 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,171 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 10:02:06,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,173 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,173 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,173 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,173 - INFO - moving on ...
-2024-12-03 10:02:06,173 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 10:02:06,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,175 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,175 - INFO - moving on ...
-2024-12-03 10:02:06,175 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 10:02:06,175 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 10:02:06,175 - INFO - problem_instance short name: n2_0
-2024-12-03 10:02:06,175 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,175 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 10:02:06,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,177 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,177 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,177 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-03 10:02:06,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-03 10:02:06,177 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-03 10:02:06,183 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,184 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,184 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-03 10:02:06,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-03 10:02:06,184 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,184 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 10:02:06,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,185 - INFO - number of orbitals:  110
-2024-12-03 10:02:06,186 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,186 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,186 - INFO - moving on ...
-2024-12-03 10:02:06,186 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 10:02:06,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,187 - INFO - number of orbitals:  60
-2024-12-03 10:02:06,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,187 - INFO - moving on ...
-2024-12-03 10:02:06,187 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 10:02:06,187 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 10:02:06,187 - INFO - problem_instance short name: ScO_0
-2024-12-03 10:02:06,187 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,187 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 10:02:06,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,189 - INFO - number of orbitals:  76
-2024-12-03 10:02:06,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,189 - INFO - moving on ...
-2024-12-03 10:02:06,189 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 10:02:06,189 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 10:02:06,189 - INFO - problem_instance short name: na_cl_0
-2024-12-03 10:02:06,189 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,189 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 10:02:06,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,190 - INFO - number of orbitals:  36
-2024-12-03 10:02:06,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,190 - INFO - moving on ...
-2024-12-03 10:02:06,190 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 10:02:06,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,192 - INFO - number of orbitals:  118
-2024-12-03 10:02:06,192 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,192 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,192 - INFO - moving on ...
-2024-12-03 10:02:06,192 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 10:02:06,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,193 - INFO - number of orbitals:  68
-2024-12-03 10:02:06,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,193 - INFO - moving on ...
-2024-12-03 10:02:06,194 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 10:02:06,194 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 10:02:06,194 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 10:02:06,194 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,194 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 10:02:06,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,195 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,196 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,196 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 10:02:06,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 10:02:06,196 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 10:02:06,202 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,202 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,202 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 10:02:06,202 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 10:02:06,203 - INFO - problem_instance short name: Fe_0
-2024-12-03 10:02:06,203 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,203 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 10:02:06,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,204 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,204 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,204 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,204 - INFO - moving on ...
-2024-12-03 10:02:06,204 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 10:02:06,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,205 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,205 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,205 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,205 - INFO - moving on ...
-2024-12-03 10:02:06,206 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 10:02:06,206 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 10:02:06,206 - INFO - problem_instance short name: cr_dimer
-2024-12-03 10:02:06,206 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,206 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 10:02:06,206 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,206 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,206 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,208 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,208 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,208 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 10:02:06,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 10:02:06,208 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 10:02:06,214 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,215 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,215 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 10:02:06,215 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,215 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,215 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,217 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,217 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,217 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-03 10:02:06,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-03 10:02:06,217 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-03 10:02:06,223 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,223 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,224 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 10:02:06,224 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,224 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,224 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,226 - INFO - number of orbitals:  68
-2024-12-03 10:02:06,226 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,226 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,226 - INFO - moving on ...
-2024-12-03 10:02:06,226 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 10:02:06,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,228 - INFO - number of orbitals:  76
-2024-12-03 10:02:06,228 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,228 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,228 - INFO - moving on ...
-2024-12-03 10:02:06,228 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 10:02:06,228 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,228 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,228 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,230 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,230 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,230 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 10:02:06,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 10:02:06,230 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 10:02:06,236 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,236 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,236 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 10:02:06,236 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,236 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,236 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,238 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,238 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,238 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-03 10:02:06,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-03 10:02:06,238 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-03 10:02:06,244 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,244 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,244 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 10:02:06,244 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,245 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,245 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,246 - INFO - number of orbitals:  68
-2024-12-03 10:02:06,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,247 - INFO - moving on ...
-2024-12-03 10:02:06,247 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 10:02:06,247 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,247 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,247 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,249 - INFO - number of orbitals:  76
-2024-12-03 10:02:06,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,249 - INFO - moving on ...
-2024-12-03 10:02:06,249 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 10:02:06,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,251 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,251 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,251 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 10:02:06,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 10:02:06,251 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 10:02:06,257 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,257 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,257 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 10:02:06,257 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,257 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,257 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,259 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,259 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,259 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-03 10:02:06,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-03 10:02:06,259 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-03 10:02:06,265 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,265 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,265 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 10:02:06,266 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,266 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,266 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,267 - INFO - number of orbitals:  68
-2024-12-03 10:02:06,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,268 - INFO - moving on ...
-2024-12-03 10:02:06,268 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 10:02:06,268 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,268 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,268 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,269 - INFO - number of orbitals:  76
-2024-12-03 10:02:06,269 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,270 - INFO - moving on ...
-2024-12-03 10:02:06,270 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 10:02:06,270 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 10:02:06,270 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 10:02:06,270 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,270 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 10:02:06,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,271 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,271 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,271 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-03 10:02:06,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-03 10:02:06,271 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-03 10:02:06,277 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,277 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,277 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 10:02:06,277 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 10:02:06,277 - INFO - problem_instance short name: ru_macho
-2024-12-03 10:02:06,277 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,277 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 10:02:06,277 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,278 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,278 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,279 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,279 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,279 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 10:02:06,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 10:02:06,280 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 10:02:06,285 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,286 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,286 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 10:02:06,286 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,286 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,286 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,288 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,288 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,288 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 10:02:06,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 10:02:06,288 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 10:02:06,293 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,294 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,294 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 10:02:06,294 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,294 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,294 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,296 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,296 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,296 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 10:02:06,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 10:02:06,296 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 10:02:06,302 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,302 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,302 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 10:02:06,302 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,302 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,302 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,304 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,304 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,304 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 10:02:06,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 10:02:06,304 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 10:02:06,310 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,310 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,310 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 10:02:06,310 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,311 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,311 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,312 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,312 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,312 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-03 10:02:06,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-03 10:02:06,313 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-03 10:02:06,318 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,318 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,318 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 10:02:06,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,318 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,318 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,320 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,320 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,320 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 10:02:06,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 10:02:06,320 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 10:02:06,326 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,326 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,326 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 10:02:06,326 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,326 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,326 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,328 - INFO - number of orbitals:  45
-2024-12-03 10:02:06,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,328 - INFO - moving on ...
-2024-12-03 10:02:06,328 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 10:02:06,328 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,328 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,328 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,330 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,330 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,330 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 10:02:06,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 10:02:06,330 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 10:02:06,336 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,336 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,336 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 10:02:06,336 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,336 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,336 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,338 - INFO - number of orbitals:  42
-2024-12-03 10:02:06,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,338 - INFO - moving on ...
-2024-12-03 10:02:06,338 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 10:02:06,338 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 10:02:06,338 - INFO - problem_instance short name: mn_mono
-2024-12-03 10:02:06,338 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,338 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 10:02:06,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,339 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,339 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,340 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,340 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,340 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 10:02:06,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 10:02:06,340 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 10:02:06,346 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,346 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,346 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 10:02:06,346 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,346 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,346 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,348 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,348 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,348 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-03 10:02:06,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-03 10:02:06,349 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-03 10:02:06,354 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,354 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,354 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 10:02:06,354 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,355 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,355 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,356 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,356 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,356 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 10:02:06,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 10:02:06,357 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 10:02:06,362 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,362 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,363 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 10:02:06,363 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,363 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,363 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,364 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,364 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,365 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-03 10:02:06,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-03 10:02:06,365 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-03 10:02:06,370 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,370 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,370 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 10:02:06,371 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,371 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,371 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,372 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,372 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,373 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 10:02:06,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 10:02:06,373 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 10:02:06,378 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,378 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,378 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 10:02:06,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,380 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,380 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,380 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-03 10:02:06,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-03 10:02:06,380 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-03 10:02:06,386 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,386 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,386 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 10:02:06,386 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,388 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,388 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,388 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 10:02:06,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 10:02:06,388 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 10:02:06,394 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,394 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,394 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 10:02:06,394 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,396 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,396 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,396 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-03 10:02:06,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-03 10:02:06,396 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-03 10:02:06,401 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,402 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,402 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 10:02:06,402 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 10:02:06,402 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 10:02:06,402 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,402 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 10:02:06,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,403 - INFO - number of orbitals:  69
-2024-12-03 10:02:06,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,404 - INFO - moving on ...
-2024-12-03 10:02:06,404 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 10:02:06,404 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 10:02:06,404 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 10:02:06,404 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,404 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 10:02:06,404 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,404 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,404 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,406 - INFO - number of orbitals:  55
-2024-12-03 10:02:06,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,406 - INFO - moving on ...
-2024-12-03 10:02:06,406 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 10:02:06,406 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,406 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,406 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,408 - INFO - number of orbitals:  70
-2024-12-03 10:02:06,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,408 - INFO - moving on ...
-2024-12-03 10:02:06,408 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 10:02:06,408 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,408 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,408 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,410 - INFO - number of orbitals:  55
-2024-12-03 10:02:06,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,410 - INFO - moving on ...
-2024-12-03 10:02:06,410 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 10:02:06,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,412 - INFO - number of orbitals:  69
-2024-12-03 10:02:06,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,412 - INFO - moving on ...
-2024-12-03 10:02:06,412 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 10:02:06,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,413 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,414 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,414 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-03 10:02:06,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-03 10:02:06,414 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-03 10:02:06,419 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,419 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,419 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 10:02:06,419 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,421 - INFO - number of orbitals:  45
-2024-12-03 10:02:06,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,421 - INFO - moving on ...
-2024-12-03 10:02:06,421 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 10:02:06,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,423 - INFO - number of orbitals:  55
-2024-12-03 10:02:06,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,423 - INFO - moving on ...
-2024-12-03 10:02:06,423 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 10:02:06,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,425 - INFO - number of orbitals:  69
-2024-12-03 10:02:06,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,425 - INFO - moving on ...
-2024-12-03 10:02:06,425 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 10:02:06,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,427 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,427 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,427 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-03 10:02:06,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-03 10:02:06,427 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-03 10:02:06,432 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,432 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,433 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 10:02:06,433 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,433 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,433 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,434 - INFO - number of orbitals:  45
-2024-12-03 10:02:06,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,434 - INFO - moving on ...
-2024-12-03 10:02:06,435 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 10:02:06,435 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,435 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,435 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,436 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,436 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,436 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-03 10:02:06,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-03 10:02:06,436 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-03 10:02:06,442 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,442 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,442 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 10:02:06,442 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,442 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,442 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,444 - INFO - number of orbitals:  45
-2024-12-03 10:02:06,444 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,444 - INFO - moving on ...
-2024-12-03 10:02:06,444 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 10:02:06,444 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,444 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,444 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,445 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,446 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,446 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-03 10:02:06,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-03 10:02:06,446 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-03 10:02:06,451 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,451 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,451 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 10:02:06,452 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,452 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,452 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,453 - INFO - number of orbitals:  45
-2024-12-03 10:02:06,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,454 - INFO - moving on ...
-2024-12-03 10:02:06,454 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 10:02:06,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,454 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,455 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,456 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,456 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 10:02:06,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 10:02:06,456 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 10:02:06,461 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,461 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,461 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 10:02:06,461 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,462 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,462 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,463 - INFO - number of orbitals:  39
-2024-12-03 10:02:06,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,463 - INFO - moving on ...
-2024-12-03 10:02:06,464 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 10:02:06,464 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 10:02:06,464 - INFO - problem_instance short name: Sc_1
-2024-12-03 10:02:06,464 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,464 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 10:02:06,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,465 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,465 - INFO - moving on ...
-2024-12-03 10:02:06,465 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 10:02:06,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,466 - INFO - number of orbitals:  135
-2024-12-03 10:02:06,466 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,466 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,466 - INFO - moving on ...
-2024-12-03 10:02:06,466 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 10:02:06,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,468 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,468 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,468 - INFO - moving on ...
-2024-12-03 10:02:06,468 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 10:02:06,468 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 10:02:06,468 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 10:02:06,468 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,468 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 10:02:06,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,469 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,469 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,469 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-03 10:02:06,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-03 10:02:06,469 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-03 10:02:06,475 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,476 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,476 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-03 10:02:06,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-03 10:02:06,476 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,476 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 10:02:06,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,477 - INFO - number of orbitals:  74
-2024-12-03 10:02:06,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,477 - INFO - moving on ...
-2024-12-03 10:02:06,477 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 10:02:06,477 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 10:02:06,477 - INFO - problem_instance short name: O_1
-2024-12-03 10:02:06,477 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,477 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 10:02:06,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,479 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,479 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,479 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 10:02:06,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 10:02:06,479 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 10:02:06,484 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,485 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,485 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 10:02:06,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 10:02:06,485 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,485 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 10:02:06,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,486 - INFO - number of orbitals:  79
-2024-12-03 10:02:06,486 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,486 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,486 - INFO - moving on ...
-2024-12-03 10:02:06,486 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 10:02:06,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,488 - INFO - number of orbitals:  45
-2024-12-03 10:02:06,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,488 - INFO - moving on ...
-2024-12-03 10:02:06,488 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 10:02:06,488 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 10:02:06,488 - INFO - problem_instance short name: Mn_0
-2024-12-03 10:02:06,488 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,488 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 10:02:06,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,489 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,489 - INFO - moving on ...
-2024-12-03 10:02:06,489 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 10:02:06,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,490 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,491 - INFO - moving on ...
-2024-12-03 10:02:06,491 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 10:02:06,491 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 10:02:06,491 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 10:02:06,491 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,491 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 10:02:06,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,492 - INFO - number of orbitals:  47
-2024-12-03 10:02:06,492 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,492 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,492 - INFO - moving on ...
-2024-12-03 10:02:06,492 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 10:02:06,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,493 - INFO - number of orbitals:  106
-2024-12-03 10:02:06,493 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,494 - INFO - moving on ...
-2024-12-03 10:02:06,494 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 10:02:06,494 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 10:02:06,494 - INFO - problem_instance short name: CrO_0
-2024-12-03 10:02:06,494 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,494 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 10:02:06,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,495 - INFO - number of orbitals:  76
-2024-12-03 10:02:06,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,495 - INFO - moving on ...
-2024-12-03 10:02:06,495 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 10:02:06,495 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 10:02:06,495 - INFO - problem_instance short name: V_1
-2024-12-03 10:02:06,495 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,495 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 10:02:06,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,497 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,497 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,497 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,497 - INFO - moving on ...
-2024-12-03 10:02:06,497 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 10:02:06,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,498 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,498 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,498 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,498 - INFO - moving on ...
-2024-12-03 10:02:06,498 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 10:02:06,498 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 10:02:06,498 - INFO - problem_instance short name: c_h4_0
-2024-12-03 10:02:06,498 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,498 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 10:02:06,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,499 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,499 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,499 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-03 10:02:06,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-03 10:02:06,499 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-03 10:02:06,505 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,505 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,505 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-03 10:02:06,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-03 10:02:06,505 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,505 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 10:02:06,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,506 - INFO - number of orbitals:  86
-2024-12-03 10:02:06,506 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,506 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,506 - INFO - moving on ...
-2024-12-03 10:02:06,506 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 10:02:06,507 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 10:02:06,507 - INFO - problem_instance short name: benzene
-2024-12-03 10:02:06,507 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,507 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 10:02:06,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,507 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,507 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,509 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,509 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,509 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-03 10:02:06,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-03 10:02:06,509 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-03 10:02:06,514 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,514 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,515 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 10:02:06,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,516 - INFO - number of orbitals:  108
-2024-12-03 10:02:06,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,517 - INFO - moving on ...
-2024-12-03 10:02:06,517 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 10:02:06,517 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 10:02:06,517 - INFO - problem_instance short name: be_0
-2024-12-03 10:02:06,517 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,517 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 10:02:06,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,518 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,518 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,518 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 10:02:06,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 10:02:06,518 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 10:02:06,524 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,524 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,524 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 10:02:06,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 10:02:06,524 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,524 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 10:02:06,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,526 - INFO - number of orbitals:  55
-2024-12-03 10:02:06,526 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,526 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,526 - INFO - moving on ...
-2024-12-03 10:02:06,526 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 10:02:06,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,527 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,527 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,527 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-03 10:02:06,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-03 10:02:06,527 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-03 10:02:06,533 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,533 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,533 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-03 10:02:06,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-03 10:02:06,533 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,533 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 10:02:06,533 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 10:02:06,533 - INFO - problem_instance short name: c_o2_0
-2024-12-03 10:02:06,533 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,533 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 10:02:06,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,535 - INFO - number of orbitals:  42
-2024-12-03 10:02:06,535 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,535 - INFO - moving on ...
-2024-12-03 10:02:06,535 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 10:02:06,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,536 - INFO - number of orbitals:  90
-2024-12-03 10:02:06,536 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,536 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,536 - INFO - moving on ...
-2024-12-03 10:02:06,536 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 10:02:06,536 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 10:02:06,536 - INFO - problem_instance short name: h2_o_0
-2024-12-03 10:02:06,537 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,537 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 10:02:06,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,538 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,538 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,538 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 10:02:06,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 10:02:06,538 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 10:02:06,544 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,544 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,544 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 10:02:06,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 10:02:06,544 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,544 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 10:02:06,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,546 - INFO - number of orbitals:  115
-2024-12-03 10:02:06,546 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,546 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,546 - INFO - moving on ...
-2024-12-03 10:02:06,546 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 10:02:06,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,547 - INFO - number of orbitals:  58
-2024-12-03 10:02:06,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,547 - INFO - moving on ...
-2024-12-03 10:02:06,547 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 10:02:06,547 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 10:02:06,547 - INFO - problem_instance short name: c_o_0
-2024-12-03 10:02:06,547 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,547 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 10:02:06,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,549 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,549 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,549 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-03 10:02:06,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-03 10:02:06,549 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-03 10:02:06,554 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,555 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,555 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-03 10:02:06,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-03 10:02:06,555 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,555 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 10:02:06,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,556 - INFO - number of orbitals:  110
-2024-12-03 10:02:06,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,556 - INFO - moving on ...
-2024-12-03 10:02:06,556 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 10:02:06,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,557 - INFO - number of orbitals:  60
-2024-12-03 10:02:06,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,557 - INFO - moving on ...
-2024-12-03 10:02:06,558 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 10:02:06,558 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 10:02:06,558 - INFO - problem_instance short name: mo_n2
-2024-12-03 10:02:06,558 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,558 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 10:02:06,558 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,558 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,558 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,560 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,560 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,560 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-03 10:02:06,560 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-03 10:02:06,560 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-03 10:02:06,565 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,565 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,566 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 10:02:06,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,566 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,566 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,567 - INFO - number of orbitals:  46
-2024-12-03 10:02:06,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,567 - INFO - moving on ...
-2024-12-03 10:02:06,567 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 10:02:06,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,568 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,569 - INFO - number of orbitals:  46
-2024-12-03 10:02:06,569 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,569 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,569 - INFO - moving on ...
-2024-12-03 10:02:06,569 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 10:02:06,569 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,569 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,571 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,571 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,571 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-03 10:02:06,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-03 10:02:06,571 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-03 10:02:06,577 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,577 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,577 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 10:02:06,577 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 10:02:06,577 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 10:02:06,577 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,577 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 10:02:06,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,579 - INFO - number of orbitals:  38
-2024-12-03 10:02:06,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,579 - INFO - moving on ...
-2024-12-03 10:02:06,579 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 10:02:06,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,580 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,580 - INFO - moving on ...
-2024-12-03 10:02:06,580 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 10:02:06,580 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 10:02:06,580 - INFO - problem_instance short name: p2_0
-2024-12-03 10:02:06,580 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,581 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 10:02:06,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,582 - INFO - number of orbitals:  36
-2024-12-03 10:02:06,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,582 - INFO - moving on ...
-2024-12-03 10:02:06,582 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 10:02:06,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,583 - INFO - number of orbitals:  118
-2024-12-03 10:02:06,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,583 - INFO - moving on ...
-2024-12-03 10:02:06,583 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 10:02:06,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,584 - INFO - number of orbitals:  68
-2024-12-03 10:02:06,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,584 - INFO - moving on ...
-2024-12-03 10:02:06,584 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 10:02:06,585 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 10:02:06,585 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 10:02:06,585 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,585 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 10:02:06,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,586 - INFO - number of orbitals:  37
-2024-12-03 10:02:06,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,586 - INFO - moving on ...
-2024-12-03 10:02:06,586 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 10:02:06,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,587 - INFO - number of orbitals:  78
-2024-12-03 10:02:06,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,587 - INFO - moving on ...
-2024-12-03 10:02:06,587 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 10:02:06,587 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 10:02:06,587 - INFO - problem_instance short name: ru_mono
-2024-12-03 10:02:06,588 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,588 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 10:02:06,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,588 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,588 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,589 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,589 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,589 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 10:02:06,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 10:02:06,590 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 10:02:06,595 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,595 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,596 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 10:02:06,596 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,596 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,596 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,597 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,598 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,598 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-03 10:02:06,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-03 10:02:06,598 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-03 10:02:06,603 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,604 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,604 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 10:02:06,604 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,604 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,604 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,606 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,606 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,606 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 10:02:06,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 10:02:06,606 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 10:02:06,611 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,612 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,612 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 10:02:06,612 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,612 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,612 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,614 - INFO - number of orbitals:  36
-2024-12-03 10:02:06,614 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,614 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,614 - INFO - moving on ...
-2024-12-03 10:02:06,614 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 10:02:06,614 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,614 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,614 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,616 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,616 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,616 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 10:02:06,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 10:02:06,616 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 10:02:06,622 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,622 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,622 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 10:02:06,622 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,624 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,624 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,624 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-03 10:02:06,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-03 10:02:06,624 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-03 10:02:06,630 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,630 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,630 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 10:02:06,631 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 10:02:06,631 - INFO - problem_instance short name: fe_red
-2024-12-03 10:02:06,631 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,631 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 10:02:06,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,631 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,631 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,633 - INFO - number of orbitals:  45
-2024-12-03 10:02:06,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,633 - INFO - moving on ...
-2024-12-03 10:02:06,633 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 10:02:06,633 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,633 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,633 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,635 - INFO - number of orbitals:  53
-2024-12-03 10:02:06,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,635 - INFO - moving on ...
-2024-12-03 10:02:06,635 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 10:02:06,635 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,635 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,635 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,637 - INFO - number of orbitals:  58
-2024-12-03 10:02:06,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,637 - INFO - moving on ...
-2024-12-03 10:02:06,637 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 10:02:06,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,637 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,637 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,639 - INFO - number of orbitals:  44
-2024-12-03 10:02:06,639 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,639 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,639 - INFO - moving on ...
-2024-12-03 10:02:06,639 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 10:02:06,639 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,639 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,639 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,641 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,641 - INFO - moving on ...
-2024-12-03 10:02:06,641 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 10:02:06,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,643 - INFO - number of orbitals:  55
-2024-12-03 10:02:06,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,643 - INFO - moving on ...
-2024-12-03 10:02:06,643 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 10:02:06,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,645 - INFO - number of orbitals:  44
-2024-12-03 10:02:06,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,645 - INFO - moving on ...
-2024-12-03 10:02:06,645 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 10:02:06,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,646 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,647 - INFO - moving on ...
-2024-12-03 10:02:06,647 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 10:02:06,647 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:02:06,647 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:02:06,647 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:02:06,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,648 - INFO - number of orbitals:  55
-2024-12-03 10:02:06,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,649 - INFO - moving on ...
-2024-12-03 10:02:06,649 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 10:02:06,649 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 10:02:06,649 - INFO - problem_instance short name: li2_0
-2024-12-03 10:02:06,649 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,649 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 10:02:06,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,650 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,650 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,650 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-03 10:02:06,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-03 10:02:06,650 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-03 10:02:06,656 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,656 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,656 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-03 10:02:06,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-03 10:02:06,656 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,656 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 10:02:06,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,657 - INFO - number of orbitals:  110
-2024-12-03 10:02:06,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,658 - INFO - moving on ...
-2024-12-03 10:02:06,658 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 10:02:06,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,659 - INFO - number of orbitals:  60
-2024-12-03 10:02:06,659 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,659 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,659 - INFO - moving on ...
-2024-12-03 10:02:06,659 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 10:02:06,659 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 10:02:06,659 - INFO - problem_instance short name: Cr_0
-2024-12-03 10:02:06,659 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,659 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 10:02:06,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,660 - INFO - number of orbitals:  54
-2024-12-03 10:02:06,660 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,661 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,661 - INFO - moving on ...
-2024-12-03 10:02:06,661 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 10:02:06,661 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,662 - INFO - number of orbitals:  88
-2024-12-03 10:02:06,662 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,662 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,662 - INFO - moving on ...
-2024-12-03 10:02:06,662 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 10:02:06,662 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 10:02:06,662 - INFO - problem_instance short name: h2_s_0
-2024-12-03 10:02:06,662 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,662 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 10:02:06,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,663 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,663 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,663 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-03 10:02:06,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-03 10:02:06,664 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-03 10:02:06,669 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,670 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,670 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-03 10:02:06,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-03 10:02:06,670 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,670 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 10:02:06,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,671 - INFO - number of orbitals:  119
-2024-12-03 10:02:06,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,671 - INFO - moving on ...
-2024-12-03 10:02:06,671 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 10:02:06,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,673 - INFO - number of orbitals:  62
-2024-12-03 10:02:06,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,673 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,673 - INFO - moving on ...
-2024-12-03 10:02:06,673 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 10:02:06,673 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 10:02:06,673 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 10:02:06,673 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,673 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 10:02:06,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,674 - INFO - number of orbitals:  48
-2024-12-03 10:02:06,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,674 - INFO - moving on ...
-2024-12-03 10:02:06,674 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 10:02:06,674 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 10:02:06,675 - INFO - problem_instance short name: si_h4_0
-2024-12-03 10:02:06,675 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,675 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 10:02:06,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,676 - INFO - number of orbitals:  38
-2024-12-03 10:02:06,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,676 - INFO - moving on ...
-2024-12-03 10:02:06,676 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 10:02:06,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,677 - INFO - number of orbitals:  90
-2024-12-03 10:02:06,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-03 10:02:06,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,677 - INFO - moving on ...
-2024-12-03 10:02:06,677 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 10:02:06,677 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 10:02:06,678 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 10:02:06,678 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,678 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 10:02:06,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,679 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,679 - INFO - number of supporting files: 1
-2024-12-03 10:02:06,679 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-03 10:02:06,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-03 10:02:06,679 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-03 10:02:06,685 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,685 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,685 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 10:02:06,685 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 10:02:06,686 - INFO - problem_instance short name: h2_s_0
-2024-12-03 10:02:06,686 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,686 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 10:02:06,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,687 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,687 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,687 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-03 10:02:06,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-03 10:02:06,687 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-03 10:02:06,693 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,693 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-03 10:02:06,693 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-03 10:02:06,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-03 10:02:06,693 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:02:06,693 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 10:02:06,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,694 - INFO - number of orbitals:  119
-2024-12-03 10:02:06,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:02:06,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,694 - INFO - moving on ...
-2024-12-03 10:02:06,694 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 10:02:06,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,696 - INFO - number of orbitals:  62
-2024-12-03 10:02:06,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:02:06,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,696 - INFO - moving on ...
-2024-12-03 10:02:06,696 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 10:02:06,696 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 10:02:06,696 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 10:02:06,696 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,696 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 10:02:06,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,697 - INFO - number of orbitals:  47
-2024-12-03 10:02:06,697 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:02:06,697 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,697 - INFO - moving on ...
-2024-12-03 10:02:06,697 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 10:02:06,698 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,699 - INFO - number of orbitals:  106
-2024-12-03 10:02:06,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:02:06,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,699 - INFO - moving on ...
-2024-12-03 10:02:06,699 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 10:02:06,699 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 10:02:06,699 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 10:02:06,699 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,699 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 10:02:06,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,700 - INFO - number of orbitals:  69
-2024-12-03 10:02:06,700 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:02:06,700 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:02:06,700 - INFO - moving on ...
-2024-12-03 10:02:06,700 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 10:02:06,700 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 10:02:06,701 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 10:02:06,701 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:02:06,701 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 10:02:06,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:02:06,702 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:02:06,702 - INFO - number of supporting files: 2
-2024-12-03 10:02:06,702 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-03 10:02:06,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-03 10:02:06,702 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-03 10:02:06,707 - INFO - number of entries in Hamiltonian_features.csv:  80
-2024-12-03 10:02:06,708 - INFO - did NOT find instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 in database.
-2024-12-03 10:02:06,708 - INFO - Processing instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 ...
-2024-12-03 10:02:06,708 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz...
-2024-12-03 10:02:06,757 - INFO - Connected (version 2.0, client 0)
-2024-12-03 10:02:07,350 - INFO - Authentication (publickey) successful!
-2024-12-03 10:02:07,367 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 10:02:07,653 - INFO - [chan 0] sftp session closed.
-2024-12-03 10:02:07,654 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 10:02:07,654 - INFO - decompressing file fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz...
-2024-12-03 10:02:07,699 - INFO - this script has been running for 0.00 hours.
-2024-12-03 10:02:07,699 - INFO - ===============================================
-2024-12-03 10:02:07,699 - INFO - calculating Hamiltonian features...
-2024-12-03 10:02:07,699 - INFO - reading data from fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1
-2024-12-03 10:02:08,086 - INFO - finished reading FCIDUMP data.
-2024-12-03 10:02:08,086 - INFO - data['NORB']: 38
-2024-12-03 10:02:08,086 - INFO - len(data['H1']): 38
-2024-12-03 10:02:08,086 - INFO - ao2mo.restore...
-2024-12-03 10:02:08,093 - INFO - done.
-2024-12-03 10:02:08,093 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 10:02:08,093 - INFO - done.
-2024-12-03 10:02:08,093 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 10:04:28,504 - INFO - done.
-2024-12-03 10:04:28,504 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 10:04:39,094 - INFO - done.
-2024-12-03 10:04:39,094 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 10:04:39,939 - INFO - done.
-2024-12-03 10:04:39,939 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 10:04:40,499 - INFO - done.
-2024-12-03 10:04:40,499 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 10:04:40,506 - INFO - done.
-2024-12-03 10:04:40,506 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 10:04:40,506 - INFO - done.
-2024-12-03 10:04:40,612 - INFO - Hamiltonian features calculation run time (seconds): 152.912305
-2024-12-03 10:04:40,612 - INFO - wrote df_eigs to file: df_eigs.d3d8851e-f3df-490c-975a-467933bd9fa1.bin
-2024-12-03 10:04:40,612 - INFO - deleting file fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-03 10:04:40,613 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 10:04:40,620 - INFO - this script has been running for 0.04 hours.
-2024-12-03 10:04:40,620 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-03 10:04:40,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-03 10:04:40,620 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:04:40,620 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 10:04:40,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,622 - INFO - number of orbitals:  88
-2024-12-03 10:04:40,622 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,622 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,622 - INFO - moving on ...
-2024-12-03 10:04:40,622 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 10:04:40,622 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 10:04:40,622 - INFO - problem_instance short name: Ti_0
-2024-12-03 10:04:40,622 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:04:40,622 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 10:04:40,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,624 - INFO - number of orbitals:  54
-2024-12-03 10:04:40,624 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,624 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,624 - INFO - moving on ...
-2024-12-03 10:04:40,624 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 10:04:40,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,625 - INFO - number of orbitals:  88
-2024-12-03 10:04:40,625 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,625 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,625 - INFO - moving on ...
-2024-12-03 10:04:40,625 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 10:04:40,625 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 10:04:40,625 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 10:04:40,625 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:04:40,625 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 10:04:40,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,627 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,627 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,627 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-03 10:04:40,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-03 10:04:40,627 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-03 10:04:40,631 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,631 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,632 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 10:04:40,632 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 10:04:40,632 - INFO - problem_instance short name: s_o2_0
-2024-12-03 10:04:40,632 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:04:40,632 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 10:04:40,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,633 - INFO - number of orbitals:  46
-2024-12-03 10:04:40,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,633 - INFO - moving on ...
-2024-12-03 10:04:40,633 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 10:04:40,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,634 - INFO - number of orbitals:  94
-2024-12-03 10:04:40,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,635 - INFO - moving on ...
-2024-12-03 10:04:40,635 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 10:04:40,635 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 10:04:40,635 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 10:04:40,635 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:04:40,635 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 10:04:40,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,636 - INFO - number of orbitals:  70
-2024-12-03 10:04:40,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,636 - INFO - moving on ...
-2024-12-03 10:04:40,636 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 10:04:40,636 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 10:04:40,636 - INFO - problem_instance short name: na2_0
-2024-12-03 10:04:40,636 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:04:40,636 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 10:04:40,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,638 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,638 - INFO - number of supporting files: 2
-2024-12-03 10:04:40,638 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-03 10:04:40,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-03 10:04:40,638 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-03 10:04:40,642 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,643 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,643 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-03 10:04:40,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-03 10:04:40,643 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:04:40,643 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 10:04:40,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,644 - INFO - number of orbitals:  118
-2024-12-03 10:04:40,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,644 - INFO - moving on ...
-2024-12-03 10:04:40,644 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 10:04:40,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,645 - INFO - number of orbitals:  68
-2024-12-03 10:04:40,646 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,646 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,646 - INFO - moving on ...
-2024-12-03 10:04:40,646 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 10:04:40,646 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 10:04:40,646 - INFO - problem_instance short name: O_1
-2024-12-03 10:04:40,646 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:04:40,646 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 10:04:40,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,647 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,647 - INFO - number of supporting files: 2
-2024-12-03 10:04:40,647 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 10:04:40,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 10:04:40,647 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 10:04:40,652 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,652 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,652 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 10:04:40,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 10:04:40,652 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:04:40,652 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 10:04:40,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,654 - INFO - number of orbitals:  79
-2024-12-03 10:04:40,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,654 - INFO - moving on ...
-2024-12-03 10:04:40,654 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 10:04:40,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,655 - INFO - number of orbitals:  45
-2024-12-03 10:04:40,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,655 - INFO - moving on ...
-2024-12-03 10:04:40,656 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 10:04:40,656 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 10:04:40,656 - INFO - problem_instance short name: ru_macho
-2024-12-03 10:04:40,656 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:04:40,656 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 10:04:40,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,658 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,658 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,658 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 10:04:40,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 10:04:40,658 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 10:04:40,663 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,663 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,663 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 10:04:40,663 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,663 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,663 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,665 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,665 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,665 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 10:04:40,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 10:04:40,665 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 10:04:40,670 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,670 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,670 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 10:04:40,670 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,670 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,670 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,672 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,672 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,672 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 10:04:40,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 10:04:40,672 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 10:04:40,677 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,677 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,677 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 10:04:40,677 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,677 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,677 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,679 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,679 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,679 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 10:04:40,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 10:04:40,680 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 10:04:40,684 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,684 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,684 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 10:04:40,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,686 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,686 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,686 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-03 10:04:40,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-03 10:04:40,686 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-03 10:04:40,691 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,691 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,691 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 10:04:40,691 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,691 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,691 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,693 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,693 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,693 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 10:04:40,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 10:04:40,693 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 10:04:40,698 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,698 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,698 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 10:04:40,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,700 - INFO - number of orbitals:  45
-2024-12-03 10:04:40,700 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,700 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,700 - INFO - moving on ...
-2024-12-03 10:04:40,700 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 10:04:40,700 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,701 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,701 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,702 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,702 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,702 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 10:04:40,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 10:04:40,702 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 10:04:40,707 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,707 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,707 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 10:04:40,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,710 - INFO - number of orbitals:  42
-2024-12-03 10:04:40,710 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:04:40,710 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:04:40,710 - INFO - moving on ...
-2024-12-03 10:04:40,710 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 10:04:40,710 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 10:04:40,710 - INFO - problem_instance short name: blue_dimer
-2024-12-03 10:04:40,710 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:04:40,710 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 10:04:40,710 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,710 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,710 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,712 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,712 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,713 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 10:04:40,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 10:04:40,713 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 10:04:40,718 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,718 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,718 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 10:04:40,718 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,720 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,720 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,720 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 10:04:40,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 10:04:40,720 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 10:04:40,725 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,725 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,725 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 10:04:40,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,727 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,727 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,727 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-03 10:04:40,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-03 10:04:40,727 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-03 10:04:40,732 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,732 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-03 10:04:40,732 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 10:04:40,732 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:04:40,732 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:04:40,732 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:04:40,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:04:40,734 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:04:40,734 - INFO - number of supporting files: 1
-2024-12-03 10:04:40,734 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-03 10:04:40,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-03 10:04:40,734 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-03 10:04:40,738 - INFO - number of entries in Hamiltonian_features.csv:  81
-2024-12-03 10:04:40,739 - INFO - did NOT find instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b in database.
-2024-12-03 10:04:40,739 - INFO - Processing instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b ...
-2024-12-03 10:04:40,739 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz...
-2024-12-03 10:04:40,787 - INFO - Connected (version 2.0, client 0)
-2024-12-03 10:04:41,323 - INFO - Authentication (publickey) successful!
-2024-12-03 10:04:41,353 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 10:04:41,462 - INFO - [chan 0] sftp session closed.
-2024-12-03 10:04:41,463 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 10:04:41,463 - INFO - decompressing file fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz...
-2024-12-03 10:04:41,534 - INFO - this script has been running for 0.04 hours.
-2024-12-03 10:04:41,535 - INFO - ===============================================
-2024-12-03 10:04:41,535 - INFO - calculating Hamiltonian features...
-2024-12-03 10:04:41,535 - INFO - reading data from fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b
-2024-12-03 10:04:42,041 - INFO - finished reading FCIDUMP data.
-2024-12-03 10:04:42,041 - INFO - data['NORB']: 36
-2024-12-03 10:04:42,041 - INFO - len(data['H1']): 36
-2024-12-03 10:04:42,041 - INFO - ao2mo.restore...
-2024-12-03 10:04:42,044 - INFO - done.
-2024-12-03 10:04:42,044 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 10:04:42,044 - INFO - done.
-2024-12-03 10:04:42,044 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 10:11:41,281 - INFO - done.
-2024-12-03 10:11:41,281 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 10:12:14,904 - INFO - done.
-2024-12-03 10:12:14,905 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 10:12:17,916 - INFO - done.
-2024-12-03 10:12:17,917 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 10:12:18,116 - INFO - done.
-2024-12-03 10:12:18,117 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 10:12:18,117 - INFO - done.
-2024-12-03 10:12:18,117 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 10:12:18,117 - INFO - done.
-2024-12-03 10:12:18,445 - INFO - Hamiltonian features calculation run time (seconds): 456.909656
-2024-12-03 10:12:18,445 - INFO - wrote df_eigs to file: df_eigs.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.bin
-2024-12-03 10:12:18,445 - INFO - deleting file fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-03 10:12:18,446 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 10:12:18,452 - INFO - this script has been running for 0.17 hours.
-2024-12-03 10:12:18,452 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 10:12:18,452 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:12:18,452 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:12:18,452 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:12:18,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:12:18,454 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:12:18,454 - INFO - number of supporting files: 1
-2024-12-03 10:12:18,454 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 10:12:18,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 10:12:18,454 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 10:12:18,459 - INFO - number of entries in Hamiltonian_features.csv:  82
-2024-12-03 10:12:18,460 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 10:12:18,460 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 10:12:18,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:12:18,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:12:18,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:12:18,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:12:18,462 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:12:18,462 - INFO - number of supporting files: 1
-2024-12-03 10:12:18,462 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 10:12:18,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 10:12:18,462 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 10:12:18,467 - INFO - number of entries in Hamiltonian_features.csv:  82
-2024-12-03 10:12:18,468 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 10:12:18,468 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 10:12:18,468 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:12:18,468 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:12:18,468 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:12:18,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:12:18,470 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:12:18,470 - INFO - number of supporting files: 1
-2024-12-03 10:12:18,470 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-03 10:12:18,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-03 10:12:18,470 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-03 10:12:18,474 - INFO - number of entries in Hamiltonian_features.csv:  82
-2024-12-03 10:12:18,474 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-03 10:12:18,474 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 10:12:18,474 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:12:18,475 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:12:18,475 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:12:18,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:12:18,476 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:12:18,476 - INFO - number of supporting files: 1
-2024-12-03 10:12:18,476 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-03 10:12:18,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-03 10:12:18,476 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-03 10:12:18,481 - INFO - number of entries in Hamiltonian_features.csv:  82
-2024-12-03 10:12:18,481 - INFO - did NOT find instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 in database.
-2024-12-03 10:12:18,481 - INFO - Processing instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 ...
-2024-12-03 10:12:18,481 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz...
-2024-12-03 10:12:18,527 - INFO - Connected (version 2.0, client 0)
-2024-12-03 10:12:19,070 - INFO - Authentication (publickey) successful!
-2024-12-03 10:12:19,088 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 10:12:19,202 - INFO - [chan 0] sftp session closed.
-2024-12-03 10:12:19,203 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 10:12:19,203 - INFO - decompressing file fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz...
-2024-12-03 10:12:19,277 - INFO - this script has been running for 0.17 hours.
-2024-12-03 10:12:19,277 - INFO - ===============================================
-2024-12-03 10:12:19,277 - INFO - calculating Hamiltonian features...
-2024-12-03 10:12:19,277 - INFO - reading data from fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2
-2024-12-03 10:12:19,813 - INFO - finished reading FCIDUMP data.
-2024-12-03 10:12:19,813 - INFO - data['NORB']: 36
-2024-12-03 10:12:19,813 - INFO - len(data['H1']): 36
-2024-12-03 10:12:19,813 - INFO - ao2mo.restore...
-2024-12-03 10:12:19,820 - INFO - done.
-2024-12-03 10:12:19,821 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 10:12:19,821 - INFO - done.
-2024-12-03 10:12:19,821 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 10:19:31,659 - INFO - done.
-2024-12-03 10:19:31,660 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 10:20:04,717 - INFO - done.
-2024-12-03 10:20:04,717 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 10:20:07,642 - INFO - done.
-2024-12-03 10:20:07,642 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 10:20:07,824 - INFO - done.
-2024-12-03 10:20:07,824 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 10:20:07,825 - INFO - done.
-2024-12-03 10:20:07,825 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 10:20:07,825 - INFO - done.
-2024-12-03 10:20:08,073 - INFO - Hamiltonian features calculation run time (seconds): 468.795335
-2024-12-03 10:20:08,074 - INFO - wrote df_eigs to file: df_eigs.e986eb83-6b9d-439e-85ca-a9b931eef4a2.bin
-2024-12-03 10:20:08,074 - INFO - deleting file fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-03 10:20:08,076 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 10:20:08,085 - INFO - this script has been running for 0.30 hours.
-2024-12-03 10:20:08,085 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 10:20:08,085 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:20:08,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:20:08,086 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:20:08,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:20:08,088 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:20:08,088 - INFO - number of supporting files: 1
-2024-12-03 10:20:08,088 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 10:20:08,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 10:20:08,088 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 10:20:08,093 - INFO - number of entries in Hamiltonian_features.csv:  83
-2024-12-03 10:20:08,094 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 10:20:08,094 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 10:20:08,094 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:20:08,094 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:20:08,094 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:20:08,095 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:20:08,096 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:20:08,096 - INFO - number of supporting files: 1
-2024-12-03 10:20:08,096 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-03 10:20:08,097 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-03 10:20:08,097 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-03 10:20:08,101 - INFO - number of entries in Hamiltonian_features.csv:  83
-2024-12-03 10:20:08,102 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-03 10:20:08,102 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 10:20:08,102 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:20:08,102 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:20:08,102 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:20:08,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:20:08,104 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:20:08,105 - INFO - number of supporting files: 1
-2024-12-03 10:20:08,105 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-03 10:20:08,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-03 10:20:08,105 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-03 10:20:08,110 - INFO - number of entries in Hamiltonian_features.csv:  83
-2024-12-03 10:20:08,110 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-03 10:20:08,110 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 10:20:08,110 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:20:08,111 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:20:08,111 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:20:08,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:20:08,113 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:20:08,113 - INFO - number of supporting files: 1
-2024-12-03 10:20:08,113 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-03 10:20:08,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-03 10:20:08,114 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-03 10:20:08,120 - INFO - number of entries in Hamiltonian_features.csv:  83
-2024-12-03 10:20:08,121 - INFO - did NOT find instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d in database.
-2024-12-03 10:20:08,121 - INFO - Processing instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d ...
-2024-12-03 10:20:08,121 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz...
-2024-12-03 10:20:08,166 - INFO - Connected (version 2.0, client 0)
-2024-12-03 10:20:08,694 - INFO - Authentication (publickey) successful!
-2024-12-03 10:20:08,714 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 10:20:08,832 - INFO - [chan 0] sftp session closed.
-2024-12-03 10:20:08,832 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 10:20:08,833 - INFO - decompressing file fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz...
-2024-12-03 10:20:08,900 - INFO - this script has been running for 0.30 hours.
-2024-12-03 10:20:08,900 - INFO - ===============================================
-2024-12-03 10:20:08,900 - INFO - calculating Hamiltonian features...
-2024-12-03 10:20:08,900 - INFO - reading data from fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d
-2024-12-03 10:20:09,376 - INFO - finished reading FCIDUMP data.
-2024-12-03 10:20:09,376 - INFO - data['NORB']: 36
-2024-12-03 10:20:09,376 - INFO - len(data['H1']): 36
-2024-12-03 10:20:09,376 - INFO - ao2mo.restore...
-2024-12-03 10:20:09,382 - INFO - done.
-2024-12-03 10:20:09,382 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 10:20:09,382 - INFO - done.
-2024-12-03 10:20:09,382 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 10:27:00,449 - INFO - done.
-2024-12-03 10:27:00,449 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 10:27:32,367 - INFO - done.
-2024-12-03 10:27:32,367 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 10:27:35,451 - INFO - done.
-2024-12-03 10:27:35,451 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 10:27:35,641 - INFO - done.
-2024-12-03 10:27:35,641 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 10:27:35,642 - INFO - done.
-2024-12-03 10:27:35,642 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 10:27:35,642 - INFO - done.
-2024-12-03 10:27:35,893 - INFO - Hamiltonian features calculation run time (seconds): 446.992111
-2024-12-03 10:27:35,893 - INFO - wrote df_eigs to file: df_eigs.af9d6a83-7898-4c13-80eb-a83a533ebf2d.bin
-2024-12-03 10:27:35,893 - INFO - deleting file fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-03 10:27:35,895 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 10:27:35,900 - INFO - this script has been running for 0.43 hours.
-2024-12-03 10:27:35,900 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 10:27:35,900 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 10:27:35,900 - INFO - problem_instance short name: h_f_0
-2024-12-03 10:27:35,900 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:27:35,901 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 10:27:35,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,902 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:27:35,902 - INFO - number of supporting files: 2
-2024-12-03 10:27:35,902 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 10:27:35,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 10:27:35,903 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 10:27:35,908 - INFO - number of entries in Hamiltonian_features.csv:  84
-2024-12-03 10:27:35,908 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 10:27:35,908 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 10:27:35,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 10:27:35,909 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:27:35,909 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 10:27:35,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,910 - INFO - number of orbitals:  85
-2024-12-03 10:27:35,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,911 - INFO - moving on ...
-2024-12-03 10:27:35,911 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 10:27:35,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,912 - INFO - number of orbitals:  44
-2024-12-03 10:27:35,912 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,912 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,912 - INFO - moving on ...
-2024-12-03 10:27:35,912 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 10:27:35,913 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 10:27:35,913 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 10:27:35,913 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 10:27:35,913 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 10:27:35,913 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,914 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,914 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,916 - INFO - number of orbitals:  55
-2024-12-03 10:27:35,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,916 - INFO - moving on ...
-2024-12-03 10:27:35,916 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 10:27:35,916 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,916 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,918 - INFO - number of orbitals:  70
-2024-12-03 10:27:35,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,919 - INFO - moving on ...
-2024-12-03 10:27:35,919 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 10:27:35,919 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,919 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,919 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,921 - INFO - number of orbitals:  55
-2024-12-03 10:27:35,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,921 - INFO - moving on ...
-2024-12-03 10:27:35,922 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 10:27:35,922 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,922 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,922 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,924 - INFO - number of orbitals:  69
-2024-12-03 10:27:35,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,924 - INFO - moving on ...
-2024-12-03 10:27:35,924 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 10:27:35,924 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,925 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,926 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:27:35,927 - INFO - number of supporting files: 1
-2024-12-03 10:27:35,927 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-03 10:27:35,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-03 10:27:35,927 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-03 10:27:35,932 - INFO - number of entries in Hamiltonian_features.csv:  84
-2024-12-03 10:27:35,932 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-03 10:27:35,932 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 10:27:35,933 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,933 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,933 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,935 - INFO - number of orbitals:  45
-2024-12-03 10:27:35,935 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,935 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,935 - INFO - moving on ...
-2024-12-03 10:27:35,936 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 10:27:35,936 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,936 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,936 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,938 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,939 - INFO - number of orbitals:  55
-2024-12-03 10:27:35,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,939 - INFO - moving on ...
-2024-12-03 10:27:35,939 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 10:27:35,939 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,940 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,940 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,941 - INFO - number of orbitals:  69
-2024-12-03 10:27:35,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,942 - INFO - moving on ...
-2024-12-03 10:27:35,942 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 10:27:35,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,942 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,943 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:27:35,943 - INFO - number of supporting files: 1
-2024-12-03 10:27:35,943 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-03 10:27:35,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-03 10:27:35,943 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-03 10:27:35,948 - INFO - number of entries in Hamiltonian_features.csv:  84
-2024-12-03 10:27:35,948 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-03 10:27:35,948 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 10:27:35,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,950 - INFO - number of orbitals:  45
-2024-12-03 10:27:35,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,950 - INFO - moving on ...
-2024-12-03 10:27:35,951 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 10:27:35,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,953 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:27:35,953 - INFO - number of supporting files: 1
-2024-12-03 10:27:35,953 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-03 10:27:35,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-03 10:27:35,953 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-03 10:27:35,959 - INFO - number of entries in Hamiltonian_features.csv:  84
-2024-12-03 10:27:35,959 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-03 10:27:35,959 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 10:27:35,960 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,960 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,960 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,962 - INFO - number of orbitals:  45
-2024-12-03 10:27:35,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,962 - INFO - moving on ...
-2024-12-03 10:27:35,962 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 10:27:35,962 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,965 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:27:35,965 - INFO - number of supporting files: 1
-2024-12-03 10:27:35,965 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-03 10:27:35,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-03 10:27:35,965 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-03 10:27:35,971 - INFO - number of entries in Hamiltonian_features.csv:  84
-2024-12-03 10:27:35,971 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-03 10:27:35,972 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 10:27:35,972 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,972 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,972 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,974 - INFO - number of orbitals:  45
-2024-12-03 10:27:35,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:27:35,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:27:35,974 - INFO - moving on ...
-2024-12-03 10:27:35,974 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 10:27:35,974 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,974 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,976 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,977 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:27:35,977 - INFO - number of supporting files: 1
-2024-12-03 10:27:35,977 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 10:27:35,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 10:27:35,977 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 10:27:35,983 - INFO - number of entries in Hamiltonian_features.csv:  84
-2024-12-03 10:27:35,983 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 10:27:35,983 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 10:27:35,983 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:27:35,984 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:27:35,984 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:27:35,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:27:35,986 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:27:35,986 - INFO - number of supporting files: 1
-2024-12-03 10:27:35,986 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-03 10:27:35,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-03 10:27:35,986 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-03 10:27:35,992 - INFO - number of entries in Hamiltonian_features.csv:  84
-2024-12-03 10:27:35,992 - INFO - did NOT find instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 in database.
-2024-12-03 10:27:35,992 - INFO - Processing instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 ...
-2024-12-03 10:27:35,992 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz...
-2024-12-03 10:27:36,038 - INFO - Connected (version 2.0, client 0)
-2024-12-03 10:27:36,693 - INFO - Authentication (publickey) successful!
-2024-12-03 10:27:36,712 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 10:27:36,841 - INFO - [chan 0] sftp session closed.
-2024-12-03 10:27:36,841 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 10:27:36,841 - INFO - decompressing file fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz...
-2024-12-03 10:27:36,941 - INFO - this script has been running for 0.43 hours.
-2024-12-03 10:27:36,941 - INFO - ===============================================
-2024-12-03 10:27:36,941 - INFO - calculating Hamiltonian features...
-2024-12-03 10:27:36,941 - INFO - reading data from fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429
-2024-12-03 10:27:37,602 - INFO - finished reading FCIDUMP data.
-2024-12-03 10:27:37,602 - INFO - data['NORB']: 39
-2024-12-03 10:27:37,602 - INFO - len(data['H1']): 39
-2024-12-03 10:27:37,602 - INFO - ao2mo.restore...
-2024-12-03 10:27:37,610 - INFO - done.
-2024-12-03 10:27:37,610 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 10:27:37,610 - INFO - done.
-2024-12-03 10:27:37,610 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 10:36:59,530 - INFO - done.
-2024-12-03 10:36:59,530 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 10:37:44,855 - INFO - done.
-2024-12-03 10:37:44,855 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 10:37:49,352 - INFO - done.
-2024-12-03 10:37:49,352 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 10:37:49,658 - INFO - done.
-2024-12-03 10:37:49,659 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 10:37:49,659 - INFO - done.
-2024-12-03 10:37:49,659 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 10:37:49,659 - INFO - done.
-2024-12-03 10:37:50,015 - INFO - Hamiltonian features calculation run time (seconds): 613.073991
-2024-12-03 10:37:50,016 - INFO - wrote df_eigs to file: df_eigs.21abd0b3-b2cb-4a8a-812e-a8706542f429.bin
-2024-12-03 10:37:50,016 - INFO - deleting file fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-03 10:37:50,018 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 10:37:50,024 - INFO - this script has been running for 0.60 hours.
-2024-12-03 10:37:50,024 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 10:37:50,025 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 10:37:50,025 - INFO - problem_instance short name: benzene
-2024-12-03 10:37:50,025 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,025 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 10:37:50,025 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:37:50,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:37:50,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:37:50,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,028 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:37:50,028 - INFO - number of supporting files: 1
-2024-12-03 10:37:50,028 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-03 10:37:50,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-03 10:37:50,028 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-03 10:37:50,034 - INFO - number of entries in Hamiltonian_features.csv:  85
-2024-12-03 10:37:50,034 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-03 10:37:50,034 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 10:37:50,034 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:37:50,035 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:37:50,035 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:37:50,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,037 - INFO - number of orbitals:  108
-2024-12-03 10:37:50,037 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,037 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,037 - INFO - moving on ...
-2024-12-03 10:37:50,037 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 10:37:50,038 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 10:37:50,038 - INFO - problem_instance short name: Mn_0
-2024-12-03 10:37:50,038 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,038 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 10:37:50,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,040 - INFO - number of orbitals:  54
-2024-12-03 10:37:50,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,041 - INFO - moving on ...
-2024-12-03 10:37:50,041 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 10:37:50,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,043 - INFO - number of orbitals:  88
-2024-12-03 10:37:50,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,043 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,043 - INFO - moving on ...
-2024-12-03 10:37:50,043 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 10:37:50,044 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 10:37:50,044 - INFO - problem_instance short name: Cu_0
-2024-12-03 10:37:50,044 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,044 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 10:37:50,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,046 - INFO - number of orbitals:  54
-2024-12-03 10:37:50,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,046 - INFO - moving on ...
-2024-12-03 10:37:50,046 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 10:37:50,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,048 - INFO - number of orbitals:  88
-2024-12-03 10:37:50,048 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,048 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,048 - INFO - moving on ...
-2024-12-03 10:37:50,049 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 10:37:50,049 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 10:37:50,049 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 10:37:50,049 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,049 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 10:37:50,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,051 - INFO - number of orbitals:  69
-2024-12-03 10:37:50,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,052 - INFO - moving on ...
-2024-12-03 10:37:50,052 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 10:37:50,052 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 10:37:50,052 - INFO - problem_instance short name: be_0
-2024-12-03 10:37:50,052 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,052 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 10:37:50,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,054 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:37:50,054 - INFO - number of supporting files: 2
-2024-12-03 10:37:50,054 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 10:37:50,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 10:37:50,055 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 10:37:50,059 - INFO - number of entries in Hamiltonian_features.csv:  85
-2024-12-03 10:37:50,060 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 10:37:50,060 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 10:37:50,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 10:37:50,060 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:37:50,061 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 10:37:50,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,062 - INFO - number of orbitals:  55
-2024-12-03 10:37:50,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,062 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,063 - INFO - moving on ...
-2024-12-03 10:37:50,063 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 10:37:50,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,064 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:37:50,064 - INFO - number of supporting files: 2
-2024-12-03 10:37:50,065 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-03 10:37:50,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-03 10:37:50,065 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-03 10:37:50,070 - INFO - number of entries in Hamiltonian_features.csv:  85
-2024-12-03 10:37:50,070 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-03 10:37:50,070 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-03 10:37:50,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-03 10:37:50,070 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:37:50,071 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 10:37:50,071 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 10:37:50,071 - INFO - problem_instance short name: Cu_1
-2024-12-03 10:37:50,071 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,071 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 10:37:50,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,073 - INFO - number of orbitals:  54
-2024-12-03 10:37:50,073 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,073 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,074 - INFO - moving on ...
-2024-12-03 10:37:50,074 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 10:37:50,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,075 - INFO - number of orbitals:  88
-2024-12-03 10:37:50,075 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,075 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,076 - INFO - moving on ...
-2024-12-03 10:37:50,076 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 10:37:50,076 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 10:37:50,076 - INFO - problem_instance short name: Fe_1
-2024-12-03 10:37:50,076 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,076 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 10:37:50,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,078 - INFO - number of orbitals:  54
-2024-12-03 10:37:50,078 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,078 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,078 - INFO - moving on ...
-2024-12-03 10:37:50,078 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 10:37:50,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,080 - INFO - number of orbitals:  88
-2024-12-03 10:37:50,081 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,081 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,081 - INFO - moving on ...
-2024-12-03 10:37:50,081 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 10:37:50,081 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 10:37:50,081 - INFO - problem_instance short name: p_h3_0
-2024-12-03 10:37:50,082 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,082 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 10:37:50,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,083 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:37:50,083 - INFO - number of supporting files: 2
-2024-12-03 10:37:50,084 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-03 10:37:50,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-03 10:37:50,084 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-03 10:37:50,089 - INFO - number of entries in Hamiltonian_features.csv:  85
-2024-12-03 10:37:50,089 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-03 10:37:50,089 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-03 10:37:50,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-03 10:37:50,089 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:37:50,089 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 10:37:50,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,090 - INFO - number of orbitals:  76
-2024-12-03 10:37:50,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,091 - INFO - moving on ...
-2024-12-03 10:37:50,091 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 10:37:50,091 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 10:37:50,091 - INFO - problem_instance short name: CrO_0
-2024-12-03 10:37:50,091 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,091 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 10:37:50,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,092 - INFO - number of orbitals:  76
-2024-12-03 10:37:50,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,092 - INFO - moving on ...
-2024-12-03 10:37:50,092 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 10:37:50,092 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 10:37:50,092 - INFO - problem_instance short name: si_h4_0
-2024-12-03 10:37:50,092 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,092 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 10:37:50,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,094 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:37:50,094 - INFO - number of supporting files: 2
-2024-12-03 10:37:50,094 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-03 10:37:50,094 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-03 10:37:50,094 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-03 10:37:50,098 - INFO - number of entries in Hamiltonian_features.csv:  85
-2024-12-03 10:37:50,099 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-03 10:37:50,099 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-03 10:37:50,099 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-03 10:37:50,099 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:37:50,099 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 10:37:50,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,100 - INFO - number of orbitals:  90
-2024-12-03 10:37:50,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,100 - INFO - moving on ...
-2024-12-03 10:37:50,100 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 10:37:50,101 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 10:37:50,101 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 10:37:50,101 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,101 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 10:37:50,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,102 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:37:50,102 - INFO - number of supporting files: 2
-2024-12-03 10:37:50,102 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 10:37:50,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 10:37:50,102 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 10:37:50,107 - INFO - number of entries in Hamiltonian_features.csv:  85
-2024-12-03 10:37:50,107 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 10:37:50,107 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 10:37:50,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 10:37:50,107 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:37:50,107 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 10:37:50,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,109 - INFO - number of orbitals:  115
-2024-12-03 10:37:50,109 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,109 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,109 - INFO - moving on ...
-2024-12-03 10:37:50,109 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 10:37:50,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,110 - INFO - number of orbitals:  58
-2024-12-03 10:37:50,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,110 - INFO - moving on ...
-2024-12-03 10:37:50,110 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 10:37:50,111 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 10:37:50,111 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 10:37:50,111 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,111 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 10:37:50,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,112 - INFO - number of orbitals:  66
-2024-12-03 10:37:50,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:37:50,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:37:50,112 - INFO - moving on ...
-2024-12-03 10:37:50,112 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 10:37:50,113 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 10:37:50,113 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 10:37:50,113 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:37:50,113 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 10:37:50,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:37:50,114 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:37:50,114 - INFO - number of supporting files: 2
-2024-12-03 10:37:50,114 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-03 10:37:50,114 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-03 10:37:50,114 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-03 10:37:50,119 - INFO - number of entries in Hamiltonian_features.csv:  85
-2024-12-03 10:37:50,119 - INFO - did NOT find instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 in database.
-2024-12-03 10:37:50,119 - INFO - Processing instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 ...
-2024-12-03 10:37:50,119 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz...
-2024-12-03 10:37:50,165 - INFO - Connected (version 2.0, client 0)
-2024-12-03 10:37:50,710 - INFO - Authentication (publickey) successful!
-2024-12-03 10:37:50,731 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 10:37:51,417 - INFO - [chan 0] sftp session closed.
-2024-12-03 10:37:51,417 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 10:37:51,417 - INFO - decompressing file fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz...
-2024-12-03 10:37:51,517 - INFO - this script has been running for 0.60 hours.
-2024-12-03 10:37:51,517 - INFO - ===============================================
-2024-12-03 10:37:51,517 - INFO - calculating Hamiltonian features...
-2024-12-03 10:37:51,517 - INFO - reading data from fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329
-2024-12-03 10:37:52,412 - INFO - finished reading FCIDUMP data.
-2024-12-03 10:37:52,412 - INFO - data['NORB']: 37
-2024-12-03 10:37:52,412 - INFO - len(data['H1']): 37
-2024-12-03 10:37:52,412 - INFO - ao2mo.restore...
-2024-12-03 10:37:52,414 - INFO - done.
-2024-12-03 10:37:52,415 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 10:37:52,415 - INFO - done.
-2024-12-03 10:37:52,415 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 10:43:06,750 - INFO - done.
-2024-12-03 10:43:06,750 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 10:43:26,269 - INFO - done.
-2024-12-03 10:43:26,269 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 10:43:27,668 - INFO - done.
-2024-12-03 10:43:27,668 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 10:43:27,920 - INFO - done.
-2024-12-03 10:43:27,920 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 10:43:27,921 - INFO - done.
-2024-12-03 10:43:27,921 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 10:43:27,921 - INFO - done.
-2024-12-03 10:43:28,089 - INFO - Hamiltonian features calculation run time (seconds): 336.571912
-2024-12-03 10:43:28,090 - INFO - wrote df_eigs to file: df_eigs.95dec49b-7d4e-4889-9e31-97e21db7b329.bin
-2024-12-03 10:43:28,090 - INFO - deleting file fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-03 10:43:28,092 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 10:43:28,096 - INFO - this script has been running for 0.69 hours.
-2024-12-03 10:43:28,096 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-03 10:43:28,096 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-03 10:43:28,096 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:43:28,097 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 10:43:28,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,098 - INFO - number of orbitals:  78
-2024-12-03 10:43:28,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:43:28,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:43:28,099 - INFO - moving on ...
-2024-12-03 10:43:28,099 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 10:43:28,099 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 10:43:28,099 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 10:43:28,099 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:43:28,099 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 10:43:28,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,101 - INFO - number of orbitals:  52
-2024-12-03 10:43:28,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:43:28,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:43:28,101 - INFO - moving on ...
-2024-12-03 10:43:28,101 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 10:43:28,102 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 10:43:28,102 - INFO - problem_instance short name: li_f_0
-2024-12-03 10:43:28,102 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:43:28,102 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 10:43:28,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,104 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:43:28,104 - INFO - number of supporting files: 2
-2024-12-03 10:43:28,104 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-03 10:43:28,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-03 10:43:28,104 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-03 10:43:28,109 - INFO - number of entries in Hamiltonian_features.csv:  86
-2024-12-03 10:43:28,109 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-03 10:43:28,109 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-03 10:43:28,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-03 10:43:28,109 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:43:28,110 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 10:43:28,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,111 - INFO - number of orbitals:  110
-2024-12-03 10:43:28,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:43:28,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:43:28,111 - INFO - moving on ...
-2024-12-03 10:43:28,112 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 10:43:28,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,113 - INFO - number of orbitals:  60
-2024-12-03 10:43:28,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:43:28,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:43:28,113 - INFO - moving on ...
-2024-12-03 10:43:28,114 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 10:43:28,114 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 10:43:28,114 - INFO - problem_instance short name: p2_0
-2024-12-03 10:43:28,114 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:43:28,114 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 10:43:28,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,116 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:43:28,116 - INFO - number of supporting files: 2
-2024-12-03 10:43:28,116 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-03 10:43:28,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-03 10:43:28,116 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-03 10:43:28,121 - INFO - number of entries in Hamiltonian_features.csv:  86
-2024-12-03 10:43:28,121 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-03 10:43:28,121 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-03 10:43:28,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-03 10:43:28,122 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:43:28,122 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 10:43:28,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,123 - INFO - number of orbitals:  118
-2024-12-03 10:43:28,124 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:43:28,124 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:43:28,124 - INFO - moving on ...
-2024-12-03 10:43:28,124 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 10:43:28,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,125 - INFO - number of orbitals:  68
-2024-12-03 10:43:28,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:43:28,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:43:28,126 - INFO - moving on ...
-2024-12-03 10:43:28,126 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 10:43:28,126 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 10:43:28,126 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 10:43:28,126 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:43:28,127 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 10:43:28,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,128 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:43:28,128 - INFO - number of supporting files: 1
-2024-12-03 10:43:28,128 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-03 10:43:28,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-03 10:43:28,129 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-03 10:43:28,133 - INFO - number of entries in Hamiltonian_features.csv:  86
-2024-12-03 10:43:28,134 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-03 10:43:28,134 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 10:43:28,134 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 10:43:28,134 - INFO - problem_instance short name: na_cl_0
-2024-12-03 10:43:28,134 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:43:28,134 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 10:43:28,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:43:28,136 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:43:28,136 - INFO - number of supporting files: 2
-2024-12-03 10:43:28,136 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-03 10:43:28,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-03 10:43:28,136 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-03 10:43:28,141 - INFO - number of entries in Hamiltonian_features.csv:  86
-2024-12-03 10:43:28,141 - INFO - did NOT find instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 in database.
-2024-12-03 10:43:28,142 - INFO - Processing instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 ...
-2024-12-03 10:43:28,142 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz...
-2024-12-03 10:43:28,185 - INFO - Connected (version 2.0, client 0)
-2024-12-03 10:43:28,718 - INFO - Authentication (publickey) successful!
-2024-12-03 10:43:28,751 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 10:43:28,849 - INFO - [chan 0] sftp session closed.
-2024-12-03 10:43:28,849 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 10:43:28,850 - INFO - decompressing file fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz...
-2024-12-03 10:43:28,919 - INFO - this script has been running for 0.69 hours.
-2024-12-03 10:43:28,919 - INFO - ===============================================
-2024-12-03 10:43:28,919 - INFO - calculating Hamiltonian features...
-2024-12-03 10:43:28,919 - INFO - reading data from fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72
-2024-12-03 10:43:29,396 - INFO - finished reading FCIDUMP data.
-2024-12-03 10:43:29,396 - INFO - data['NORB']: 36
-2024-12-03 10:43:29,396 - INFO - len(data['H1']): 36
-2024-12-03 10:43:29,396 - INFO - ao2mo.restore...
-2024-12-03 10:43:29,399 - INFO - done.
-2024-12-03 10:43:29,399 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 10:43:29,399 - INFO - done.
-2024-12-03 10:43:29,399 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 10:46:27,960 - INFO - done.
-2024-12-03 10:46:27,961 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 10:46:39,934 - INFO - done.
-2024-12-03 10:46:39,934 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 10:46:40,936 - INFO - done.
-2024-12-03 10:46:40,936 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 10:46:41,091 - INFO - done.
-2024-12-03 10:46:41,091 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 10:46:41,091 - INFO - done.
-2024-12-03 10:46:41,091 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 10:46:41,091 - INFO - done.
-2024-12-03 10:46:41,198 - INFO - Hamiltonian features calculation run time (seconds): 192.278693
-2024-12-03 10:46:41,198 - INFO - wrote df_eigs to file: df_eigs.cd31956d-bef5-4112-9959-510170644e72.bin
-2024-12-03 10:46:41,198 - INFO - deleting file fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.
-2024-12-03 10:46:41,200 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 10:46:41,203 - INFO - this script has been running for 0.74 hours.
-2024-12-03 10:46:41,203 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-03 10:46:41,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-03 10:46:41,203 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:46:41,203 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 10:46:41,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,205 - INFO - number of orbitals:  118
-2024-12-03 10:46:41,205 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,205 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,205 - INFO - moving on ...
-2024-12-03 10:46:41,205 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 10:46:41,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,206 - INFO - number of orbitals:  68
-2024-12-03 10:46:41,206 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,206 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,206 - INFO - moving on ...
-2024-12-03 10:46:41,206 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 10:46:41,206 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 10:46:41,206 - INFO - problem_instance short name: Sc_0
-2024-12-03 10:46:41,207 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,207 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 10:46:41,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,208 - INFO - number of orbitals:  54
-2024-12-03 10:46:41,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,208 - INFO - moving on ...
-2024-12-03 10:46:41,208 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 10:46:41,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,209 - INFO - number of orbitals:  135
-2024-12-03 10:46:41,209 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,209 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,209 - INFO - moving on ...
-2024-12-03 10:46:41,209 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 10:46:41,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,210 - INFO - number of orbitals:  88
-2024-12-03 10:46:41,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,210 - INFO - moving on ...
-2024-12-03 10:46:41,211 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 10:46:41,211 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 10:46:41,211 - INFO - problem_instance short name: h_cl_0
-2024-12-03 10:46:41,211 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,211 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 10:46:41,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,212 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,212 - INFO - number of supporting files: 2
-2024-12-03 10:46:41,212 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 10:46:41,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 10:46:41,212 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 10:46:41,216 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,217 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,217 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 10:46:41,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 10:46:41,217 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:46:41,217 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 10:46:41,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,218 - INFO - number of orbitals:  89
-2024-12-03 10:46:41,218 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,218 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,218 - INFO - moving on ...
-2024-12-03 10:46:41,218 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 10:46:41,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,219 - INFO - number of orbitals:  48
-2024-12-03 10:46:41,219 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,219 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,219 - INFO - moving on ...
-2024-12-03 10:46:41,219 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 10:46:41,220 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 10:46:41,220 - INFO - problem_instance short name: FeO_0
-2024-12-03 10:46:41,220 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,220 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 10:46:41,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,221 - INFO - number of orbitals:  76
-2024-12-03 10:46:41,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,221 - INFO - moving on ...
-2024-12-03 10:46:41,221 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 10:46:41,221 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 10:46:41,221 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 10:46:41,221 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,221 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 10:46:41,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,223 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,223 - INFO - number of supporting files: 2
-2024-12-03 10:46:41,223 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-03 10:46:41,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-03 10:46:41,223 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-03 10:46:41,227 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,227 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,227 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-03 10:46:41,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-03 10:46:41,228 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:46:41,228 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 10:46:41,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,229 - INFO - number of orbitals:  119
-2024-12-03 10:46:41,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,229 - INFO - moving on ...
-2024-12-03 10:46:41,229 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 10:46:41,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,230 - INFO - number of orbitals:  62
-2024-12-03 10:46:41,230 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,230 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,230 - INFO - moving on ...
-2024-12-03 10:46:41,230 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 10:46:41,230 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 10:46:41,230 - INFO - problem_instance short name: li2_0
-2024-12-03 10:46:41,230 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,230 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 10:46:41,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,231 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,232 - INFO - number of supporting files: 2
-2024-12-03 10:46:41,232 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-03 10:46:41,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-03 10:46:41,232 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-03 10:46:41,236 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,236 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,236 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-03 10:46:41,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-03 10:46:41,236 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:46:41,236 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 10:46:41,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,237 - INFO - number of orbitals:  110
-2024-12-03 10:46:41,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,238 - INFO - moving on ...
-2024-12-03 10:46:41,238 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 10:46:41,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,239 - INFO - number of orbitals:  60
-2024-12-03 10:46:41,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,239 - INFO - moving on ...
-2024-12-03 10:46:41,239 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 10:46:41,239 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 10:46:41,239 - INFO - problem_instance short name: fe_red
-2024-12-03 10:46:41,239 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,239 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 10:46:41,239 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,239 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,239 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,241 - INFO - number of orbitals:  45
-2024-12-03 10:46:41,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,241 - INFO - moving on ...
-2024-12-03 10:46:41,241 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 10:46:41,241 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,241 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,241 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,243 - INFO - number of orbitals:  53
-2024-12-03 10:46:41,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,243 - INFO - moving on ...
-2024-12-03 10:46:41,243 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 10:46:41,243 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,243 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,243 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,245 - INFO - number of orbitals:  58
-2024-12-03 10:46:41,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,245 - INFO - moving on ...
-2024-12-03 10:46:41,245 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 10:46:41,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,245 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,245 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,247 - INFO - number of orbitals:  44
-2024-12-03 10:46:41,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,247 - INFO - moving on ...
-2024-12-03 10:46:41,247 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 10:46:41,247 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,247 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,247 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,249 - INFO - number of orbitals:  54
-2024-12-03 10:46:41,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,249 - INFO - moving on ...
-2024-12-03 10:46:41,249 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 10:46:41,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,251 - INFO - number of orbitals:  55
-2024-12-03 10:46:41,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,251 - INFO - moving on ...
-2024-12-03 10:46:41,251 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 10:46:41,251 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,251 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,251 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,252 - INFO - number of orbitals:  44
-2024-12-03 10:46:41,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,253 - INFO - moving on ...
-2024-12-03 10:46:41,253 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 10:46:41,253 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,253 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,253 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,254 - INFO - number of orbitals:  54
-2024-12-03 10:46:41,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,254 - INFO - moving on ...
-2024-12-03 10:46:41,254 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 10:46:41,254 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,255 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,255 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,256 - INFO - number of orbitals:  55
-2024-12-03 10:46:41,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,256 - INFO - moving on ...
-2024-12-03 10:46:41,256 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 10:46:41,257 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 10:46:41,257 - INFO - problem_instance short name: c_h4_0
-2024-12-03 10:46:41,257 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,257 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 10:46:41,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,258 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,258 - INFO - number of supporting files: 2
-2024-12-03 10:46:41,258 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-03 10:46:41,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-03 10:46:41,258 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-03 10:46:41,262 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,263 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,263 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-03 10:46:41,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-03 10:46:41,263 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:46:41,263 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 10:46:41,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,264 - INFO - number of orbitals:  86
-2024-12-03 10:46:41,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,264 - INFO - moving on ...
-2024-12-03 10:46:41,264 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 10:46:41,264 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 10:46:41,264 - INFO - problem_instance short name: f2_0
-2024-12-03 10:46:41,264 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,264 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 10:46:41,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,265 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,266 - INFO - number of supporting files: 2
-2024-12-03 10:46:41,266 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-03 10:46:41,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-03 10:46:41,266 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-03 10:46:41,270 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,270 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,270 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-03 10:46:41,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-03 10:46:41,270 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:46:41,270 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 10:46:41,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,271 - INFO - number of orbitals:  110
-2024-12-03 10:46:41,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,271 - INFO - moving on ...
-2024-12-03 10:46:41,271 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 10:46:41,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,272 - INFO - number of orbitals:  60
-2024-12-03 10:46:41,272 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,273 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,273 - INFO - moving on ...
-2024-12-03 10:46:41,273 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 10:46:41,273 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 10:46:41,273 - INFO - problem_instance short name: Mn_1
-2024-12-03 10:46:41,273 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,273 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 10:46:41,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,274 - INFO - number of orbitals:  54
-2024-12-03 10:46:41,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,274 - INFO - moving on ...
-2024-12-03 10:46:41,274 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 10:46:41,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,275 - INFO - number of orbitals:  88
-2024-12-03 10:46:41,275 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,275 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,275 - INFO - moving on ...
-2024-12-03 10:46:41,275 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 10:46:41,276 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 10:46:41,276 - INFO - problem_instance short name: O_0
-2024-12-03 10:46:41,276 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,276 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 10:46:41,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,277 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,277 - INFO - number of supporting files: 2
-2024-12-03 10:46:41,277 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-03 10:46:41,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-03 10:46:41,277 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-03 10:46:41,281 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,282 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,282 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-03 10:46:41,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-03 10:46:41,282 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:46:41,282 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 10:46:41,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,283 - INFO - number of orbitals:  79
-2024-12-03 10:46:41,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,283 - INFO - moving on ...
-2024-12-03 10:46:41,283 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 10:46:41,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,284 - INFO - number of orbitals:  45
-2024-12-03 10:46:41,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,285 - INFO - moving on ...
-2024-12-03 10:46:41,285 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 10:46:41,285 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 10:46:41,285 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 10:46:41,285 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,285 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 10:46:41,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,286 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,286 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,286 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 10:46:41,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 10:46:41,286 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 10:46:41,291 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,291 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,291 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 10:46:41,291 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 10:46:41,291 - INFO - problem_instance short name: Ti_1
-2024-12-03 10:46:41,292 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,292 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 10:46:41,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,293 - INFO - number of orbitals:  54
-2024-12-03 10:46:41,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,293 - INFO - moving on ...
-2024-12-03 10:46:41,293 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 10:46:41,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,294 - INFO - number of orbitals:  88
-2024-12-03 10:46:41,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:46:41,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:46:41,294 - INFO - moving on ...
-2024-12-03 10:46:41,294 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 10:46:41,295 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 10:46:41,295 - INFO - problem_instance short name: mn_mono
-2024-12-03 10:46:41,295 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,295 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 10:46:41,295 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,295 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,295 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,297 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,297 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,297 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 10:46:41,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 10:46:41,297 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 10:46:41,301 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,302 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,302 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 10:46:41,302 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,302 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,302 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,304 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,304 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,304 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-03 10:46:41,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-03 10:46:41,304 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-03 10:46:41,308 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,309 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,309 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 10:46:41,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,309 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,309 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,311 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,311 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,311 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 10:46:41,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 10:46:41,311 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 10:46:41,315 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,316 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,316 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 10:46:41,316 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,316 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,316 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,317 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,318 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,318 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-03 10:46:41,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-03 10:46:41,318 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-03 10:46:41,322 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,322 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,323 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 10:46:41,323 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,323 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,323 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,324 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,325 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,325 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 10:46:41,325 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 10:46:41,325 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 10:46:41,330 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,330 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,330 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 10:46:41,330 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,330 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,330 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,332 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,332 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,332 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-03 10:46:41,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-03 10:46:41,332 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-03 10:46:41,337 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,337 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,337 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 10:46:41,337 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,339 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,339 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,339 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 10:46:41,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 10:46:41,340 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 10:46:41,344 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,344 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,344 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 10:46:41,344 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,345 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,345 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,346 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,346 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,346 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-03 10:46:41,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-03 10:46:41,346 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-03 10:46:41,351 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,351 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,351 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 10:46:41,351 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 10:46:41,351 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 10:46:41,351 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,351 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 10:46:41,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,353 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,353 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,353 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-03 10:46:41,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-03 10:46:41,353 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-03 10:46:41,357 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,357 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,357 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 10:46:41,358 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 10:46:41,358 - INFO - problem_instance short name: ru_mono
-2024-12-03 10:46:41,358 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:46:41,358 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 10:46:41,358 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,358 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,358 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,360 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,360 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,360 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 10:46:41,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 10:46:41,360 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 10:46:41,364 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,365 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,365 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 10:46:41,365 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,365 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,365 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,367 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,367 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,367 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-03 10:46:41,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-03 10:46:41,367 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-03 10:46:41,372 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,372 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,372 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 10:46:41,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,372 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,372 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,374 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,374 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,374 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 10:46:41,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 10:46:41,374 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 10:46:41,379 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,379 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 10:46:41,379 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 10:46:41,379 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:46:41,379 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:46:41,379 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:46:41,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:46:41,381 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:46:41,381 - INFO - number of supporting files: 1
-2024-12-03 10:46:41,381 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-03 10:46:41,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-03 10:46:41,381 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-03 10:46:41,386 - INFO - number of entries in Hamiltonian_features.csv:  87
-2024-12-03 10:46:41,386 - INFO - did NOT find instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 in database.
-2024-12-03 10:46:41,386 - INFO - Processing instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 ...
-2024-12-03 10:46:41,386 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz...
-2024-12-03 10:46:41,429 - INFO - Connected (version 2.0, client 0)
-2024-12-03 10:46:41,975 - INFO - Authentication (publickey) successful!
-2024-12-03 10:46:41,993 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 10:46:42,148 - INFO - [chan 0] sftp session closed.
-2024-12-03 10:46:42,149 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 10:46:42,149 - INFO - decompressing file fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz...
-2024-12-03 10:46:42,213 - INFO - this script has been running for 0.74 hours.
-2024-12-03 10:46:42,213 - INFO - ===============================================
-2024-12-03 10:46:42,213 - INFO - calculating Hamiltonian features...
-2024-12-03 10:46:42,213 - INFO - reading data from fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053
-2024-12-03 10:46:42,757 - INFO - finished reading FCIDUMP data.
-2024-12-03 10:46:42,757 - INFO - data['NORB']: 36
-2024-12-03 10:46:42,757 - INFO - len(data['H1']): 36
-2024-12-03 10:46:42,757 - INFO - ao2mo.restore...
-2024-12-03 10:46:42,760 - INFO - done.
-2024-12-03 10:46:42,760 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 10:46:42,760 - INFO - done.
-2024-12-03 10:46:42,760 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 10:53:53,018 - INFO - done.
-2024-12-03 10:53:53,019 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 10:54:24,084 - INFO - done.
-2024-12-03 10:54:24,085 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 10:54:26,837 - INFO - done.
-2024-12-03 10:54:26,838 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 10:54:27,029 - INFO - done.
-2024-12-03 10:54:27,029 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 10:54:27,030 - INFO - done.
-2024-12-03 10:54:27,031 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 10:54:27,031 - INFO - done.
-2024-12-03 10:54:27,335 - INFO - Hamiltonian features calculation run time (seconds): 465.12194
-2024-12-03 10:54:27,337 - INFO - wrote df_eigs to file: df_eigs.a2417602-4e97-4395-b3f0-1e29262c8053.bin
-2024-12-03 10:54:27,337 - INFO - deleting file fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-03 10:54:27,339 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 10:54:27,346 - INFO - this script has been running for 0.87 hours.
-2024-12-03 10:54:27,346 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 10:54:27,347 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,348 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,348 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,351 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,352 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,352 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 10:54:27,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 10:54:27,353 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 10:54:27,358 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,360 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,360 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 10:54:27,361 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,362 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,362 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,366 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,366 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,367 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-03 10:54:27,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-03 10:54:27,367 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-03 10:54:27,372 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,373 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,373 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 10:54:27,373 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 10:54:27,373 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 10:54:27,373 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,373 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 10:54:27,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,375 - INFO - number of orbitals:  48
-2024-12-03 10:54:27,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,375 - INFO - moving on ...
-2024-12-03 10:54:27,375 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 10:54:27,375 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 10:54:27,375 - INFO - problem_instance short name: V_0
-2024-12-03 10:54:27,375 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,375 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 10:54:27,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,376 - INFO - number of orbitals:  54
-2024-12-03 10:54:27,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,376 - INFO - moving on ...
-2024-12-03 10:54:27,377 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 10:54:27,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,378 - INFO - number of orbitals:  88
-2024-12-03 10:54:27,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,378 - INFO - moving on ...
-2024-12-03 10:54:27,378 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 10:54:27,378 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 10:54:27,378 - INFO - problem_instance short name: c_s_0
-2024-12-03 10:54:27,378 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,378 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 10:54:27,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,379 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,380 - INFO - number of supporting files: 2
-2024-12-03 10:54:27,380 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-03 10:54:27,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-03 10:54:27,380 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-03 10:54:27,384 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,385 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,385 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-03 10:54:27,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-03 10:54:27,385 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:54:27,385 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 10:54:27,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,386 - INFO - number of orbitals:  64
-2024-12-03 10:54:27,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,387 - INFO - moving on ...
-2024-12-03 10:54:27,387 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 10:54:27,387 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 10:54:27,387 - INFO - problem_instance short name: cl2_0
-2024-12-03 10:54:27,387 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,387 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 10:54:27,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,388 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,388 - INFO - number of supporting files: 2
-2024-12-03 10:54:27,388 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-03 10:54:27,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-03 10:54:27,388 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-03 10:54:27,393 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,393 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,393 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-03 10:54:27,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-03 10:54:27,393 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:54:27,393 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 10:54:27,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,394 - INFO - number of orbitals:  118
-2024-12-03 10:54:27,395 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,395 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,395 - INFO - moving on ...
-2024-12-03 10:54:27,395 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 10:54:27,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,396 - INFO - number of orbitals:  68
-2024-12-03 10:54:27,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,396 - INFO - moving on ...
-2024-12-03 10:54:27,396 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 10:54:27,396 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 10:54:27,396 - INFO - problem_instance short name: ScO_0
-2024-12-03 10:54:27,396 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,396 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 10:54:27,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,397 - INFO - number of orbitals:  76
-2024-12-03 10:54:27,397 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,397 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,397 - INFO - moving on ...
-2024-12-03 10:54:27,398 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 10:54:27,398 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 10:54:27,398 - INFO - problem_instance short name: TiO_0
-2024-12-03 10:54:27,398 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,398 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 10:54:27,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,399 - INFO - number of orbitals:  76
-2024-12-03 10:54:27,399 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,399 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,399 - INFO - moving on ...
-2024-12-03 10:54:27,399 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 10:54:27,399 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 10:54:27,399 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 10:54:27,399 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,399 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 10:54:27,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,400 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,400 - INFO - number of supporting files: 2
-2024-12-03 10:54:27,400 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-03 10:54:27,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-03 10:54:27,401 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-03 10:54:27,405 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,405 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,405 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-03 10:54:27,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-03 10:54:27,405 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:54:27,406 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 10:54:27,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,407 - INFO - number of orbitals:  88
-2024-12-03 10:54:27,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,407 - INFO - moving on ...
-2024-12-03 10:54:27,407 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 10:54:27,407 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 10:54:27,407 - INFO - problem_instance short name: MnO_0
-2024-12-03 10:54:27,407 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,407 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 10:54:27,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,408 - INFO - number of orbitals:  76
-2024-12-03 10:54:27,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,408 - INFO - moving on ...
-2024-12-03 10:54:27,408 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 10:54:27,409 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 10:54:27,409 - INFO - problem_instance short name: CuO_0
-2024-12-03 10:54:27,409 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,409 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 10:54:27,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,410 - INFO - number of orbitals:  76
-2024-12-03 10:54:27,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,410 - INFO - moving on ...
-2024-12-03 10:54:27,410 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 10:54:27,410 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 10:54:27,410 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 10:54:27,410 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,410 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 10:54:27,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,411 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,412 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,412 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-03 10:54:27,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-03 10:54:27,412 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-03 10:54:27,416 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,416 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,417 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 10:54:27,417 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 10:54:27,417 - INFO - problem_instance short name: ozone
-2024-12-03 10:54:27,417 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,417 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 10:54:27,417 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,417 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,417 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,419 - INFO - number of orbitals:  42
-2024-12-03 10:54:27,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,419 - INFO - moving on ...
-2024-12-03 10:54:27,419 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 10:54:27,419 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,421 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,421 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,421 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 10:54:27,421 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 10:54:27,421 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 10:54:27,426 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,426 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,426 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 10:54:27,426 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,426 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,426 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,428 - INFO - number of orbitals:  90
-2024-12-03 10:54:27,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,428 - INFO - moving on ...
-2024-12-03 10:54:27,428 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 10:54:27,428 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,428 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,428 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,430 - INFO - number of orbitals:  42
-2024-12-03 10:54:27,430 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,430 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,430 - INFO - moving on ...
-2024-12-03 10:54:27,430 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 10:54:27,430 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,430 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,430 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,432 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,432 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,432 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 10:54:27,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 10:54:27,432 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 10:54:27,436 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,437 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,437 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 10:54:27,437 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,437 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,437 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,438 - INFO - number of orbitals:  90
-2024-12-03 10:54:27,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,439 - INFO - moving on ...
-2024-12-03 10:54:27,439 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 10:54:27,439 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 10:54:27,439 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 10:54:27,439 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,439 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 10:54:27,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,440 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,440 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,440 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 10:54:27,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 10:54:27,440 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 10:54:27,445 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,445 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,445 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 10:54:27,445 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 10:54:27,445 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 10:54:27,445 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,445 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 10:54:27,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,447 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,447 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,447 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 10:54:27,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 10:54:27,447 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 10:54:27,451 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,452 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,452 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 10:54:27,452 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 10:54:27,452 - INFO - problem_instance short name: Sc_1
-2024-12-03 10:54:27,452 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,452 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 10:54:27,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,453 - INFO - number of orbitals:  54
-2024-12-03 10:54:27,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,453 - INFO - moving on ...
-2024-12-03 10:54:27,453 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 10:54:27,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,454 - INFO - number of orbitals:  135
-2024-12-03 10:54:27,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,455 - INFO - moving on ...
-2024-12-03 10:54:27,455 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 10:54:27,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,456 - INFO - number of orbitals:  88
-2024-12-03 10:54:27,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,456 - INFO - moving on ...
-2024-12-03 10:54:27,456 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 10:54:27,456 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 10:54:27,456 - INFO - problem_instance short name: cr_dimer
-2024-12-03 10:54:27,456 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,456 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 10:54:27,456 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,456 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,456 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,458 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,458 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,458 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 10:54:27,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 10:54:27,458 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 10:54:27,463 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,463 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,463 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 10:54:27,463 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,463 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,463 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,465 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,465 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,465 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-03 10:54:27,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-03 10:54:27,465 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-03 10:54:27,470 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,470 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,470 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 10:54:27,470 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,472 - INFO - number of orbitals:  68
-2024-12-03 10:54:27,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,472 - INFO - moving on ...
-2024-12-03 10:54:27,472 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 10:54:27,472 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,473 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,474 - INFO - number of orbitals:  76
-2024-12-03 10:54:27,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,474 - INFO - moving on ...
-2024-12-03 10:54:27,474 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 10:54:27,474 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,474 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,474 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,476 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,476 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,476 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 10:54:27,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 10:54:27,476 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 10:54:27,481 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,481 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,481 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 10:54:27,481 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,481 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,481 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,483 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,483 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,483 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-03 10:54:27,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-03 10:54:27,483 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-03 10:54:27,487 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,488 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,488 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 10:54:27,488 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,488 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,488 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,490 - INFO - number of orbitals:  68
-2024-12-03 10:54:27,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,490 - INFO - moving on ...
-2024-12-03 10:54:27,490 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 10:54:27,490 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,490 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,490 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,491 - INFO - number of orbitals:  76
-2024-12-03 10:54:27,492 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,492 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,492 - INFO - moving on ...
-2024-12-03 10:54:27,492 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 10:54:27,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,492 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,492 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,493 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,494 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,494 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 10:54:27,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 10:54:27,494 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 10:54:27,498 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,498 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,498 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 10:54:27,498 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,499 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,499 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,500 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,500 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,500 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-03 10:54:27,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-03 10:54:27,500 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-03 10:54:27,505 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,505 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,505 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 10:54:27,505 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,505 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,507 - INFO - number of orbitals:  68
-2024-12-03 10:54:27,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,507 - INFO - moving on ...
-2024-12-03 10:54:27,507 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 10:54:27,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,507 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,507 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,509 - INFO - number of orbitals:  76
-2024-12-03 10:54:27,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,509 - INFO - moving on ...
-2024-12-03 10:54:27,509 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 10:54:27,509 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 10:54:27,509 - INFO - problem_instance short name: Cr_1
-2024-12-03 10:54:27,509 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,509 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 10:54:27,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,511 - INFO - number of orbitals:  54
-2024-12-03 10:54:27,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,511 - INFO - moving on ...
-2024-12-03 10:54:27,511 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 10:54:27,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,512 - INFO - number of orbitals:  135
-2024-12-03 10:54:27,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,512 - INFO - moving on ...
-2024-12-03 10:54:27,512 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 10:54:27,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,513 - INFO - number of orbitals:  88
-2024-12-03 10:54:27,513 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,513 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,513 - INFO - moving on ...
-2024-12-03 10:54:27,513 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 10:54:27,514 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 10:54:27,514 - INFO - problem_instance short name: Fe_0
-2024-12-03 10:54:27,514 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,514 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 10:54:27,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,515 - INFO - number of orbitals:  54
-2024-12-03 10:54:27,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,515 - INFO - moving on ...
-2024-12-03 10:54:27,515 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 10:54:27,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,516 - INFO - number of orbitals:  88
-2024-12-03 10:54:27,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,516 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,516 - INFO - moving on ...
-2024-12-03 10:54:27,516 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 10:54:27,516 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 10:54:27,517 - INFO - problem_instance short name: mo_n2
-2024-12-03 10:54:27,517 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,517 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 10:54:27,517 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,517 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,517 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,518 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,518 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,518 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-03 10:54:27,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-03 10:54:27,519 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-03 10:54:27,523 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,523 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,523 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 10:54:27,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,524 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,525 - INFO - number of orbitals:  46
-2024-12-03 10:54:27,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,525 - INFO - moving on ...
-2024-12-03 10:54:27,525 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 10:54:27,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,525 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,525 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,527 - INFO - number of orbitals:  46
-2024-12-03 10:54:27,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,527 - INFO - moving on ...
-2024-12-03 10:54:27,527 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 10:54:27,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,529 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,529 - INFO - number of supporting files: 1
-2024-12-03 10:54:27,529 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-03 10:54:27,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-03 10:54:27,529 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-03 10:54:27,533 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,534 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,534 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 10:54:27,534 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 10:54:27,534 - INFO - problem_instance short name: si_o_0
-2024-12-03 10:54:27,534 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,534 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 10:54:27,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,535 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,535 - INFO - number of supporting files: 2
-2024-12-03 10:54:27,535 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-03 10:54:27,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-03 10:54:27,535 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-03 10:54:27,540 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,540 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,540 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-03 10:54:27,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-03 10:54:27,540 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:54:27,540 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 10:54:27,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,542 - INFO - number of orbitals:  114
-2024-12-03 10:54:27,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,542 - INFO - moving on ...
-2024-12-03 10:54:27,542 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 10:54:27,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,543 - INFO - number of orbitals:  64
-2024-12-03 10:54:27,543 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,543 - INFO - moving on ...
-2024-12-03 10:54:27,543 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 10:54:27,543 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 10:54:27,543 - INFO - problem_instance short name: li_h_0
-2024-12-03 10:54:27,543 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,543 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 10:54:27,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,544 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,545 - INFO - number of supporting files: 2
-2024-12-03 10:54:27,545 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 10:54:27,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 10:54:27,545 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 10:54:27,549 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,550 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,550 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 10:54:27,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 10:54:27,550 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:54:27,550 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 10:54:27,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,551 - INFO - number of orbitals:  85
-2024-12-03 10:54:27,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,551 - INFO - moving on ...
-2024-12-03 10:54:27,551 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 10:54:27,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,553 - INFO - number of orbitals:  44
-2024-12-03 10:54:27,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,553 - INFO - moving on ...
-2024-12-03 10:54:27,553 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 10:54:27,553 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 10:54:27,553 - INFO - problem_instance short name: mo2_n2
-2024-12-03 10:54:27,553 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,553 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 10:54:27,553 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,553 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,553 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,555 - INFO - number of orbitals:  69
-2024-12-03 10:54:27,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,555 - INFO - moving on ...
-2024-12-03 10:54:27,555 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 10:54:27,555 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,555 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,555 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,557 - INFO - number of orbitals:  70
-2024-12-03 10:54:27,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,557 - INFO - moving on ...
-2024-12-03 10:54:27,557 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 10:54:27,557 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 10:54:27,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 10:54:27,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 10:54:27,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,559 - INFO - number of orbitals:  69
-2024-12-03 10:54:27,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,559 - INFO - moving on ...
-2024-12-03 10:54:27,559 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 10:54:27,559 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 10:54:27,559 - INFO - problem_instance short name: n2_0
-2024-12-03 10:54:27,559 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,559 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 10:54:27,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,561 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,561 - INFO - number of supporting files: 2
-2024-12-03 10:54:27,561 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-03 10:54:27,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-03 10:54:27,561 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-03 10:54:27,565 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,566 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-03 10:54:27,566 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-03 10:54:27,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-03 10:54:27,566 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 10:54:27,566 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 10:54:27,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,567 - INFO - number of orbitals:  110
-2024-12-03 10:54:27,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,567 - INFO - moving on ...
-2024-12-03 10:54:27,567 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 10:54:27,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,568 - INFO - number of orbitals:  60
-2024-12-03 10:54:27,569 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 10:54:27,569 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 10:54:27,569 - INFO - moving on ...
-2024-12-03 10:54:27,569 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 10:54:27,569 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 10:54:27,569 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 10:54:27,569 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 10:54:27,569 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 10:54:27,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 10:54:27,570 - INFO - attempting to process the Hamiltonian...
-2024-12-03 10:54:27,570 - INFO - number of supporting files: 2
-2024-12-03 10:54:27,570 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-03 10:54:27,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-03 10:54:27,570 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-03 10:54:27,575 - INFO - number of entries in Hamiltonian_features.csv:  88
-2024-12-03 10:54:27,575 - INFO - did NOT find instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 in database.
-2024-12-03 10:54:27,575 - INFO - Processing instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 ...
-2024-12-03 10:54:27,575 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz...
-2024-12-03 10:54:27,618 - INFO - Connected (version 2.0, client 0)
-2024-12-03 10:54:28,133 - INFO - Authentication (publickey) successful!
-2024-12-03 10:54:28,155 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 10:54:28,435 - INFO - [chan 0] sftp session closed.
-2024-12-03 10:54:28,436 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 10:54:28,436 - INFO - decompressing file fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz...
-2024-12-03 10:54:28,620 - INFO - this script has been running for 0.87 hours.
-2024-12-03 10:54:28,620 - INFO - ===============================================
-2024-12-03 10:54:28,620 - INFO - calculating Hamiltonian features...
-2024-12-03 10:54:28,620 - INFO - reading data from fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193
-2024-12-03 10:54:29,865 - INFO - finished reading FCIDUMP data.
-2024-12-03 10:54:29,865 - INFO - data['NORB']: 38
-2024-12-03 10:54:29,866 - INFO - len(data['H1']): 38
-2024-12-03 10:54:29,866 - INFO - ao2mo.restore...
-2024-12-03 10:54:29,869 - INFO - done.
-2024-12-03 10:54:29,869 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 10:54:29,869 - INFO - done.
-2024-12-03 10:54:29,869 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 11:02:28,123 - INFO - done.
-2024-12-03 11:02:28,123 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 11:02:53,141 - INFO - done.
-2024-12-03 11:02:53,141 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 11:02:55,409 - INFO - done.
-2024-12-03 11:02:55,409 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 11:02:55,635 - INFO - done.
-2024-12-03 11:02:55,636 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 11:02:55,636 - INFO - done.
-2024-12-03 11:02:55,637 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 11:02:55,638 - INFO - done.
-2024-12-03 11:02:55,915 - INFO - Hamiltonian features calculation run time (seconds): 507.294464
-2024-12-03 11:02:55,916 - INFO - wrote df_eigs to file: df_eigs.459b2739-8810-4cd9-82c4-4285c36a0193.bin
-2024-12-03 11:02:55,917 - INFO - deleting file fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-03 11:02:55,921 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 11:02:55,926 - INFO - this script has been running for 1.01 hours.
-2024-12-03 11:02:55,926 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-03 11:02:55,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-03 11:02:55,927 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:02:55,928 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 11:02:55,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,930 - INFO - number of orbitals:  88
-2024-12-03 11:02:55,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,931 - INFO - moving on ...
-2024-12-03 11:02:55,932 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 11:02:55,932 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 11:02:55,933 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 11:02:55,933 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,933 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 11:02:55,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,935 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:55,936 - INFO - number of supporting files: 1
-2024-12-03 11:02:55,936 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 11:02:55,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 11:02:55,936 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 11:02:55,940 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:55,941 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 11:02:55,941 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 11:02:55,941 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 11:02:55,941 - INFO - problem_instance short name: V_1
-2024-12-03 11:02:55,941 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,941 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 11:02:55,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,943 - INFO - number of orbitals:  54
-2024-12-03 11:02:55,943 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,943 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,943 - INFO - moving on ...
-2024-12-03 11:02:55,943 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 11:02:55,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,944 - INFO - number of orbitals:  88
-2024-12-03 11:02:55,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,944 - INFO - moving on ...
-2024-12-03 11:02:55,944 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 11:02:55,944 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 11:02:55,945 - INFO - problem_instance short name: c_o_0
-2024-12-03 11:02:55,945 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,945 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 11:02:55,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,946 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:55,946 - INFO - number of supporting files: 2
-2024-12-03 11:02:55,946 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-03 11:02:55,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-03 11:02:55,946 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-03 11:02:55,950 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:55,951 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-03 11:02:55,951 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-03 11:02:55,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-03 11:02:55,951 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:02:55,951 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 11:02:55,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,952 - INFO - number of orbitals:  110
-2024-12-03 11:02:55,952 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,952 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,952 - INFO - moving on ...
-2024-12-03 11:02:55,952 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 11:02:55,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,954 - INFO - number of orbitals:  60
-2024-12-03 11:02:55,954 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,954 - INFO - moving on ...
-2024-12-03 11:02:55,954 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 11:02:55,954 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 11:02:55,954 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 11:02:55,954 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,954 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 11:02:55,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,956 - INFO - number of orbitals:  48
-2024-12-03 11:02:55,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,956 - INFO - moving on ...
-2024-12-03 11:02:55,956 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 11:02:55,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,957 - INFO - number of orbitals:  116
-2024-12-03 11:02:55,957 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,957 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,957 - INFO - moving on ...
-2024-12-03 11:02:55,957 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 11:02:55,958 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 11:02:55,958 - INFO - problem_instance short name: n_h3_0
-2024-12-03 11:02:55,958 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,958 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 11:02:55,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,959 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:55,959 - INFO - number of supporting files: 2
-2024-12-03 11:02:55,959 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-03 11:02:55,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-03 11:02:55,959 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-03 11:02:55,964 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:55,964 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-03 11:02:55,964 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-03 11:02:55,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-03 11:02:55,964 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:02:55,964 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 11:02:55,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,965 - INFO - number of orbitals:  72
-2024-12-03 11:02:55,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,965 - INFO - moving on ...
-2024-12-03 11:02:55,965 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 11:02:55,965 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 11:02:55,966 - INFO - problem_instance short name: h2_o_0
-2024-12-03 11:02:55,966 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,966 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 11:02:55,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,967 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:55,967 - INFO - number of supporting files: 2
-2024-12-03 11:02:55,967 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 11:02:55,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 11:02:55,967 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 11:02:55,972 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:55,972 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 11:02:55,972 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 11:02:55,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 11:02:55,972 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:02:55,972 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 11:02:55,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,973 - INFO - number of orbitals:  115
-2024-12-03 11:02:55,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,973 - INFO - moving on ...
-2024-12-03 11:02:55,973 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 11:02:55,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,975 - INFO - number of orbitals:  58
-2024-12-03 11:02:55,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,975 - INFO - moving on ...
-2024-12-03 11:02:55,975 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 11:02:55,975 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 11:02:55,975 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 11:02:55,975 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,975 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 11:02:55,976 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,976 - INFO - number of orbitals:  58
-2024-12-03 11:02:55,976 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,976 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,976 - INFO - moving on ...
-2024-12-03 11:02:55,976 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 11:02:55,977 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 11:02:55,977 - INFO - problem_instance short name: Cr_0
-2024-12-03 11:02:55,977 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,977 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 11:02:55,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,978 - INFO - number of orbitals:  54
-2024-12-03 11:02:55,978 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,978 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,978 - INFO - moving on ...
-2024-12-03 11:02:55,978 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 11:02:55,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,979 - INFO - number of orbitals:  88
-2024-12-03 11:02:55,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,979 - INFO - moving on ...
-2024-12-03 11:02:55,979 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 11:02:55,979 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 11:02:55,979 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 11:02:55,980 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,980 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 11:02:55,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,981 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:55,981 - INFO - number of supporting files: 2
-2024-12-03 11:02:55,981 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-03 11:02:55,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-03 11:02:55,981 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-03 11:02:55,986 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:55,986 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-03 11:02:55,986 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-03 11:02:55,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-03 11:02:55,986 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:02:55,986 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 11:02:55,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,988 - INFO - number of orbitals:  74
-2024-12-03 11:02:55,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,988 - INFO - moving on ...
-2024-12-03 11:02:55,988 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 11:02:55,988 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 11:02:55,988 - INFO - problem_instance short name: VO_0
-2024-12-03 11:02:55,988 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,988 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 11:02:55,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,989 - INFO - number of orbitals:  76
-2024-12-03 11:02:55,989 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,990 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,990 - INFO - moving on ...
-2024-12-03 11:02:55,990 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 11:02:55,990 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 11:02:55,990 - INFO - problem_instance short name: c_o2_0
-2024-12-03 11:02:55,990 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,990 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 11:02:55,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,991 - INFO - number of orbitals:  42
-2024-12-03 11:02:55,991 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,991 - INFO - moving on ...
-2024-12-03 11:02:55,991 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 11:02:55,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,993 - INFO - number of orbitals:  90
-2024-12-03 11:02:55,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,993 - INFO - moving on ...
-2024-12-03 11:02:55,993 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 11:02:55,993 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 11:02:55,993 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 11:02:55,993 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,993 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 11:02:55,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,994 - INFO - number of orbitals:  48
-2024-12-03 11:02:55,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,995 - INFO - moving on ...
-2024-12-03 11:02:55,995 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 11:02:55,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,996 - INFO - number of orbitals:  116
-2024-12-03 11:02:55,996 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-03 11:02:55,996 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:55,996 - INFO - moving on ...
-2024-12-03 11:02:55,996 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 11:02:55,996 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 11:02:55,996 - INFO - problem_instance short name: p_h3_0
-2024-12-03 11:02:55,996 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:55,996 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 11:02:55,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:55,998 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:55,998 - INFO - number of supporting files: 2
-2024-12-03 11:02:55,998 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-03 11:02:55,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-03 11:02:55,998 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-03 11:02:56,003 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:56,003 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-03 11:02:56,003 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-03 11:02:56,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-03 11:02:56,003 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:02:56,004 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 11:02:56,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,005 - INFO - number of orbitals:  76
-2024-12-03 11:02:56,005 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:02:56,005 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:56,005 - INFO - moving on ...
-2024-12-03 11:02:56,005 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 11:02:56,005 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 11:02:56,005 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 11:02:56,005 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 11:02:56,006 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 11:02:56,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,007 - INFO - number of orbitals:  69
-2024-12-03 11:02:56,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:02:56,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:56,007 - INFO - moving on ...
-2024-12-03 11:02:56,007 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 11:02:56,007 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 11:02:56,007 - INFO - problem_instance short name: h_cl_0
-2024-12-03 11:02:56,007 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:02:56,007 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 11:02:56,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,009 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:56,009 - INFO - number of supporting files: 2
-2024-12-03 11:02:56,009 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 11:02:56,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 11:02:56,009 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 11:02:56,015 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:56,015 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 11:02:56,016 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 11:02:56,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 11:02:56,016 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:02:56,016 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 11:02:56,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,017 - INFO - number of orbitals:  89
-2024-12-03 11:02:56,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:02:56,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:56,018 - INFO - moving on ...
-2024-12-03 11:02:56,018 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 11:02:56,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,019 - INFO - number of orbitals:  48
-2024-12-03 11:02:56,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:02:56,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:56,019 - INFO - moving on ...
-2024-12-03 11:02:56,020 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 11:02:56,020 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 11:02:56,020 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 11:02:56,020 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:56,020 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 11:02:56,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,022 - INFO - number of orbitals:  47
-2024-12-03 11:02:56,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:02:56,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:56,022 - INFO - moving on ...
-2024-12-03 11:02:56,022 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 11:02:56,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,023 - INFO - number of orbitals:  106
-2024-12-03 11:02:56,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:02:56,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:56,023 - INFO - moving on ...
-2024-12-03 11:02:56,023 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 11:02:56,024 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 11:02:56,024 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 11:02:56,024 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 11:02:56,024 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 11:02:56,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,025 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:56,025 - INFO - number of supporting files: 1
-2024-12-03 11:02:56,025 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-03 11:02:56,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-03 11:02:56,025 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-03 11:02:56,030 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:56,030 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-03 11:02:56,030 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 11:02:56,030 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 11:02:56,030 - INFO - problem_instance short name: c_h4_0
-2024-12-03 11:02:56,030 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:02:56,031 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 11:02:56,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,032 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:56,032 - INFO - number of supporting files: 2
-2024-12-03 11:02:56,032 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-03 11:02:56,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-03 11:02:56,032 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-03 11:02:56,037 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:56,037 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-03 11:02:56,038 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-03 11:02:56,038 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-03 11:02:56,038 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:02:56,038 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 11:02:56,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,039 - INFO - number of orbitals:  86
-2024-12-03 11:02:56,039 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:02:56,039 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:56,039 - INFO - moving on ...
-2024-12-03 11:02:56,039 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 11:02:56,040 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 11:02:56,040 - INFO - problem_instance short name: h2_o_0
-2024-12-03 11:02:56,040 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:02:56,040 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 11:02:56,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,041 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:56,041 - INFO - number of supporting files: 2
-2024-12-03 11:02:56,041 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 11:02:56,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 11:02:56,042 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 11:02:56,046 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:56,047 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 11:02:56,047 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 11:02:56,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 11:02:56,047 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:02:56,047 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 11:02:56,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,049 - INFO - number of orbitals:  115
-2024-12-03 11:02:56,049 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:02:56,049 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:56,049 - INFO - moving on ...
-2024-12-03 11:02:56,049 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 11:02:56,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,050 - INFO - number of orbitals:  58
-2024-12-03 11:02:56,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:02:56,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:02:56,051 - INFO - moving on ...
-2024-12-03 11:02:56,051 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 11:02:56,051 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 11:02:56,051 - INFO - problem_instance short name: fe_red
-2024-12-03 11:02:56,051 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 11:02:56,051 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 11:02:56,051 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:02:56,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:02:56,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:02:56,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:02:56,053 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:02:56,054 - INFO - number of supporting files: 1
-2024-12-03 11:02:56,054 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-03 11:02:56,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-03 11:02:56,054 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-03 11:02:56,058 - INFO - number of entries in Hamiltonian_features.csv:  89
-2024-12-03 11:02:56,059 - INFO - did NOT find instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 in database.
-2024-12-03 11:02:56,059 - INFO - Processing instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 ...
-2024-12-03 11:02:56,059 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz...
-2024-12-03 11:02:56,101 - INFO - Connected (version 2.0, client 0)
-2024-12-03 11:02:56,655 - INFO - Authentication (publickey) successful!
-2024-12-03 11:02:56,682 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 11:02:56,955 - INFO - [chan 0] sftp session closed.
-2024-12-03 11:02:56,955 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 11:02:56,956 - INFO - decompressing file fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz...
-2024-12-03 11:02:57,132 - INFO - this script has been running for 1.02 hours.
-2024-12-03 11:02:57,133 - INFO - ===============================================
-2024-12-03 11:02:57,133 - INFO - calculating Hamiltonian features...
-2024-12-03 11:02:57,133 - INFO - reading data from fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97
-2024-12-03 11:02:58,407 - INFO - finished reading FCIDUMP data.
-2024-12-03 11:02:58,407 - INFO - data['NORB']: 45
-2024-12-03 11:02:58,407 - INFO - len(data['H1']): 45
-2024-12-03 11:02:58,408 - INFO - ao2mo.restore...
-2024-12-03 11:02:58,414 - INFO - done.
-2024-12-03 11:02:58,414 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 11:02:58,414 - INFO - done.
-2024-12-03 11:02:58,415 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 11:20:00,015 - INFO - done.
-2024-12-03 11:20:00,015 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 11:21:28,884 - INFO - done.
-2024-12-03 11:21:28,884 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 11:21:38,113 - INFO - done.
-2024-12-03 11:21:38,113 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 11:21:38,839 - INFO - done.
-2024-12-03 11:21:38,841 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 11:21:38,842 - INFO - done.
-2024-12-03 11:21:38,842 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 11:21:38,843 - INFO - done.
-2024-12-03 11:21:39,626 - INFO - Hamiltonian features calculation run time (seconds): 1122.492903
-2024-12-03 11:21:39,628 - INFO - wrote df_eigs to file: df_eigs.79e71b3e-6364-4972-b4b3-07841fa8ba97.bin
-2024-12-03 11:21:39,629 - INFO - deleting file fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-03 11:21:39,632 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 11:21:39,639 - INFO - this script has been running for 1.33 hours.
-2024-12-03 11:21:39,640 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 11:21:39,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:21:39,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:21:39,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:21:39,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:21:39,642 - INFO - number of orbitals:  53
-2024-12-03 11:21:39,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:21:39,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:21:39,643 - INFO - moving on ...
-2024-12-03 11:21:39,643 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 11:21:39,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:21:39,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:21:39,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:21:39,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:21:39,645 - INFO - number of orbitals:  58
-2024-12-03 11:21:39,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:21:39,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:21:39,645 - INFO - moving on ...
-2024-12-03 11:21:39,645 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 11:21:39,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:21:39,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:21:39,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:21:39,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:21:39,647 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:21:39,647 - INFO - number of supporting files: 1
-2024-12-03 11:21:39,647 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-03 11:21:39,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-03 11:21:39,647 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-03 11:21:39,653 - INFO - number of entries in Hamiltonian_features.csv:  90
-2024-12-03 11:21:39,653 - INFO - did NOT find instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f in database.
-2024-12-03 11:21:39,653 - INFO - Processing instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f ...
-2024-12-03 11:21:39,653 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz...
-2024-12-03 11:21:39,698 - INFO - Connected (version 2.0, client 0)
-2024-12-03 11:21:40,251 - INFO - Authentication (publickey) successful!
-2024-12-03 11:21:40,273 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 11:21:40,572 - INFO - [chan 0] sftp session closed.
-2024-12-03 11:21:40,573 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 11:21:40,573 - INFO - decompressing file fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz...
-2024-12-03 11:21:40,720 - INFO - this script has been running for 1.33 hours.
-2024-12-03 11:21:40,720 - INFO - ===============================================
-2024-12-03 11:21:40,720 - INFO - calculating Hamiltonian features...
-2024-12-03 11:21:40,720 - INFO - reading data from fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f
-2024-12-03 11:21:41,980 - INFO - finished reading FCIDUMP data.
-2024-12-03 11:21:41,981 - INFO - data['NORB']: 44
-2024-12-03 11:21:41,981 - INFO - len(data['H1']): 44
-2024-12-03 11:21:41,981 - INFO - ao2mo.restore...
-2024-12-03 11:21:41,989 - INFO - done.
-2024-12-03 11:21:41,989 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 11:21:41,990 - INFO - done.
-2024-12-03 11:21:41,990 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 11:37:18,066 - INFO - done.
-2024-12-03 11:37:18,066 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 11:38:32,445 - INFO - done.
-2024-12-03 11:38:32,445 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 11:38:40,354 - INFO - done.
-2024-12-03 11:38:40,354 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 11:38:40,888 - INFO - done.
-2024-12-03 11:38:40,889 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 11:38:40,890 - INFO - done.
-2024-12-03 11:38:40,890 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 11:38:40,891 - INFO - done.
-2024-12-03 11:38:41,516 - INFO - Hamiltonian features calculation run time (seconds): 1020.795562
-2024-12-03 11:38:41,523 - INFO - wrote df_eigs to file: df_eigs.379a0693-4ac3-4ff0-be33-7be3f6cad84f.bin
-2024-12-03 11:38:41,523 - INFO - deleting file fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-03 11:38:41,526 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 11:38:41,533 - INFO - this script has been running for 1.61 hours.
-2024-12-03 11:38:41,534 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 11:38:41,534 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:38:41,534 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:38:41,534 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:38:41,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:38:41,536 - INFO - number of orbitals:  54
-2024-12-03 11:38:41,536 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:38:41,536 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:38:41,536 - INFO - moving on ...
-2024-12-03 11:38:41,536 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 11:38:41,537 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:38:41,537 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:38:41,537 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:38:41,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:38:41,539 - INFO - number of orbitals:  55
-2024-12-03 11:38:41,539 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:38:41,539 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:38:41,539 - INFO - moving on ...
-2024-12-03 11:38:41,539 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 11:38:41,539 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:38:41,539 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:38:41,539 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:38:41,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:38:41,542 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:38:41,542 - INFO - number of supporting files: 1
-2024-12-03 11:38:41,542 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-03 11:38:41,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-03 11:38:41,542 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-03 11:38:41,548 - INFO - number of entries in Hamiltonian_features.csv:  91
-2024-12-03 11:38:41,548 - INFO - did NOT find instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e in database.
-2024-12-03 11:38:41,548 - INFO - Processing instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e ...
-2024-12-03 11:38:41,548 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz...
-2024-12-03 11:38:41,595 - INFO - Connected (version 2.0, client 0)
-2024-12-03 11:38:42,169 - INFO - Authentication (publickey) successful!
-2024-12-03 11:38:42,189 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 11:38:42,414 - INFO - [chan 0] sftp session closed.
-2024-12-03 11:38:42,414 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 11:38:42,415 - INFO - decompressing file fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz...
-2024-12-03 11:38:42,579 - INFO - this script has been running for 1.61 hours.
-2024-12-03 11:38:42,580 - INFO - ===============================================
-2024-12-03 11:38:42,580 - INFO - calculating Hamiltonian features...
-2024-12-03 11:38:42,580 - INFO - reading data from fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e
-2024-12-03 11:38:43,701 - INFO - finished reading FCIDUMP data.
-2024-12-03 11:38:43,701 - INFO - data['NORB']: 44
-2024-12-03 11:38:43,701 - INFO - len(data['H1']): 44
-2024-12-03 11:38:43,702 - INFO - ao2mo.restore...
-2024-12-03 11:38:43,707 - INFO - done.
-2024-12-03 11:38:43,708 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 11:38:43,708 - INFO - done.
-2024-12-03 11:38:43,708 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 11:53:54,203 - INFO - done.
-2024-12-03 11:53:54,204 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 11:55:10,521 - INFO - done.
-2024-12-03 11:55:10,522 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 11:55:18,042 - INFO - done.
-2024-12-03 11:55:18,042 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 11:55:18,565 - INFO - done.
-2024-12-03 11:55:18,567 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 11:55:18,568 - INFO - done.
-2024-12-03 11:55:18,568 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 11:55:18,569 - INFO - done.
-2024-12-03 11:55:19,221 - INFO - Hamiltonian features calculation run time (seconds): 996.641108
-2024-12-03 11:55:19,224 - INFO - wrote df_eigs to file: df_eigs.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.bin
-2024-12-03 11:55:19,224 - INFO - deleting file fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-03 11:55:19,228 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 11:55:19,234 - INFO - this script has been running for 1.89 hours.
-2024-12-03 11:55:19,235 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 11:55:19,236 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,236 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,237 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,240 - INFO - number of orbitals:  54
-2024-12-03 11:55:19,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,242 - INFO - moving on ...
-2024-12-03 11:55:19,243 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 11:55:19,243 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,248 - INFO - number of orbitals:  55
-2024-12-03 11:55:19,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,249 - INFO - moving on ...
-2024-12-03 11:55:19,250 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 11:55:19,251 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 11:55:19,251 - INFO - problem_instance short name: Sc_1
-2024-12-03 11:55:19,252 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,252 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 11:55:19,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,255 - INFO - number of orbitals:  54
-2024-12-03 11:55:19,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,257 - INFO - moving on ...
-2024-12-03 11:55:19,258 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 11:55:19,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,260 - INFO - number of orbitals:  135
-2024-12-03 11:55:19,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,262 - INFO - moving on ...
-2024-12-03 11:55:19,262 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 11:55:19,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,265 - INFO - number of orbitals:  88
-2024-12-03 11:55:19,266 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,266 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,267 - INFO - moving on ...
-2024-12-03 11:55:19,267 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 11:55:19,268 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 11:55:19,269 - INFO - problem_instance short name: cr_dimer
-2024-12-03 11:55:19,270 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,270 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 11:55:19,271 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,272 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,272 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,275 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,276 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,276 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 11:55:19,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 11:55:19,277 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 11:55:19,283 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,284 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,285 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 11:55:19,285 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,286 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,287 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,290 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,290 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,291 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-03 11:55:19,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-03 11:55:19,292 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-03 11:55:19,298 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,299 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,300 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 11:55:19,300 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,301 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,301 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,304 - INFO - number of orbitals:  68
-2024-12-03 11:55:19,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,305 - INFO - moving on ...
-2024-12-03 11:55:19,306 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 11:55:19,306 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,307 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,307 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,310 - INFO - number of orbitals:  76
-2024-12-03 11:55:19,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,311 - INFO - moving on ...
-2024-12-03 11:55:19,311 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 11:55:19,311 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,312 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,312 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,313 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,314 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,314 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 11:55:19,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 11:55:19,314 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 11:55:19,319 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,319 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,319 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 11:55:19,319 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,319 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,319 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,321 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,321 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,321 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-03 11:55:19,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-03 11:55:19,321 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-03 11:55:19,326 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,326 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,326 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 11:55:19,326 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,327 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,327 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,328 - INFO - number of orbitals:  68
-2024-12-03 11:55:19,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,328 - INFO - moving on ...
-2024-12-03 11:55:19,328 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 11:55:19,328 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,329 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,329 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,330 - INFO - number of orbitals:  76
-2024-12-03 11:55:19,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,330 - INFO - moving on ...
-2024-12-03 11:55:19,330 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 11:55:19,330 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,330 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,330 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,332 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,332 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,332 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 11:55:19,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 11:55:19,332 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 11:55:19,337 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,337 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,337 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 11:55:19,337 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,339 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,339 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,339 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-03 11:55:19,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-03 11:55:19,340 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-03 11:55:19,345 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,345 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,345 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 11:55:19,345 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,345 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,345 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,347 - INFO - number of orbitals:  68
-2024-12-03 11:55:19,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,347 - INFO - moving on ...
-2024-12-03 11:55:19,347 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 11:55:19,347 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,347 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,347 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,349 - INFO - number of orbitals:  76
-2024-12-03 11:55:19,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,349 - INFO - moving on ...
-2024-12-03 11:55:19,349 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 11:55:19,349 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 11:55:19,349 - INFO - problem_instance short name: c_s_0
-2024-12-03 11:55:19,349 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,350 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 11:55:19,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,351 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,351 - INFO - number of supporting files: 2
-2024-12-03 11:55:19,351 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-03 11:55:19,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-03 11:55:19,351 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-03 11:55:19,356 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,356 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,356 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-03 11:55:19,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-03 11:55:19,357 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:55:19,357 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 11:55:19,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,358 - INFO - number of orbitals:  64
-2024-12-03 11:55:19,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,358 - INFO - moving on ...
-2024-12-03 11:55:19,358 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 11:55:19,358 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 11:55:19,358 - INFO - problem_instance short name: si_o_0
-2024-12-03 11:55:19,358 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,358 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 11:55:19,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,359 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,360 - INFO - number of supporting files: 2
-2024-12-03 11:55:19,360 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-03 11:55:19,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-03 11:55:19,360 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-03 11:55:19,365 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,365 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,365 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-03 11:55:19,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-03 11:55:19,365 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:55:19,365 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 11:55:19,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,367 - INFO - number of orbitals:  114
-2024-12-03 11:55:19,367 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,367 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,367 - INFO - moving on ...
-2024-12-03 11:55:19,367 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 11:55:19,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,368 - INFO - number of orbitals:  64
-2024-12-03 11:55:19,368 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,368 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,368 - INFO - moving on ...
-2024-12-03 11:55:19,368 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 11:55:19,368 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 11:55:19,368 - INFO - problem_instance short name: na_cl_0
-2024-12-03 11:55:19,368 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,368 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 11:55:19,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,370 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,370 - INFO - number of supporting files: 2
-2024-12-03 11:55:19,370 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-03 11:55:19,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-03 11:55:19,370 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-03 11:55:19,375 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,375 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,375 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-03 11:55:19,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-03 11:55:19,375 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:55:19,375 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 11:55:19,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,377 - INFO - number of orbitals:  118
-2024-12-03 11:55:19,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,377 - INFO - moving on ...
-2024-12-03 11:55:19,377 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 11:55:19,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,378 - INFO - number of orbitals:  68
-2024-12-03 11:55:19,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,378 - INFO - moving on ...
-2024-12-03 11:55:19,378 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 11:55:19,378 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 11:55:19,378 - INFO - problem_instance short name: ru_mono
-2024-12-03 11:55:19,378 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,379 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 11:55:19,379 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,379 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,379 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,380 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,381 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,381 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 11:55:19,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 11:55:19,381 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 11:55:19,386 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,386 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,386 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 11:55:19,386 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,388 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,388 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,388 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-03 11:55:19,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-03 11:55:19,388 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-03 11:55:19,393 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,394 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,394 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 11:55:19,394 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,396 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,396 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,396 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 11:55:19,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 11:55:19,396 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 11:55:19,401 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,401 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,401 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 11:55:19,401 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,403 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,403 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,403 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-03 11:55:19,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-03 11:55:19,403 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-03 11:55:19,408 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,409 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,409 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 11:55:19,409 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,409 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,409 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,410 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,411 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,411 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 11:55:19,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 11:55:19,411 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 11:55:19,415 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,416 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,416 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 11:55:19,416 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,416 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,416 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,417 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,418 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,418 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-03 11:55:19,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-03 11:55:19,418 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-03 11:55:19,423 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,423 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,423 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 11:55:19,423 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 11:55:19,423 - INFO - problem_instance short name: p2_0
-2024-12-03 11:55:19,423 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,423 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 11:55:19,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,425 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,425 - INFO - number of supporting files: 2
-2024-12-03 11:55:19,425 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-03 11:55:19,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-03 11:55:19,425 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-03 11:55:19,430 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,430 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,430 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-03 11:55:19,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-03 11:55:19,431 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:55:19,431 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 11:55:19,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,432 - INFO - number of orbitals:  118
-2024-12-03 11:55:19,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,432 - INFO - moving on ...
-2024-12-03 11:55:19,432 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 11:55:19,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,433 - INFO - number of orbitals:  68
-2024-12-03 11:55:19,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,433 - INFO - moving on ...
-2024-12-03 11:55:19,433 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 11:55:19,433 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 11:55:19,434 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 11:55:19,434 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,434 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 11:55:19,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,435 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,435 - INFO - number of supporting files: 2
-2024-12-03 11:55:19,435 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-03 11:55:19,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-03 11:55:19,435 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-03 11:55:19,440 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,440 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,441 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-03 11:55:19,441 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-03 11:55:19,441 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:55:19,441 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 11:55:19,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,442 - INFO - number of orbitals:  119
-2024-12-03 11:55:19,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,442 - INFO - moving on ...
-2024-12-03 11:55:19,442 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 11:55:19,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,443 - INFO - number of orbitals:  62
-2024-12-03 11:55:19,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,443 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,443 - INFO - moving on ...
-2024-12-03 11:55:19,443 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 11:55:19,444 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 11:55:19,444 - INFO - problem_instance short name: mn_mono
-2024-12-03 11:55:19,444 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,444 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 11:55:19,444 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,444 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,444 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,446 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,446 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,446 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 11:55:19,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 11:55:19,446 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 11:55:19,451 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,451 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,451 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 11:55:19,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,453 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,453 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,453 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-03 11:55:19,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-03 11:55:19,453 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-03 11:55:19,459 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,459 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,459 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 11:55:19,459 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,459 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,459 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,461 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,461 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,461 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 11:55:19,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 11:55:19,461 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 11:55:19,466 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,467 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,467 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 11:55:19,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,469 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,469 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,469 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-03 11:55:19,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-03 11:55:19,469 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-03 11:55:19,474 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,474 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,474 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 11:55:19,474 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,474 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,475 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,476 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,476 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,476 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 11:55:19,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 11:55:19,476 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 11:55:19,481 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,482 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,482 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 11:55:19,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,484 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,484 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,484 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-03 11:55:19,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-03 11:55:19,484 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-03 11:55:19,489 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,489 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,489 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 11:55:19,489 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,490 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,490 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,491 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,491 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,492 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 11:55:19,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 11:55:19,492 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 11:55:19,497 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,497 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,497 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 11:55:19,497 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,497 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,497 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,499 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,499 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,499 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-03 11:55:19,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-03 11:55:19,499 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-03 11:55:19,504 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,505 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,505 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 11:55:19,505 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 11:55:19,505 - INFO - problem_instance short name: Mn_0
-2024-12-03 11:55:19,505 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,505 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 11:55:19,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,506 - INFO - number of orbitals:  54
-2024-12-03 11:55:19,506 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,506 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,506 - INFO - moving on ...
-2024-12-03 11:55:19,506 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 11:55:19,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,508 - INFO - number of orbitals:  88
-2024-12-03 11:55:19,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,508 - INFO - moving on ...
-2024-12-03 11:55:19,508 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 11:55:19,508 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 11:55:19,508 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 11:55:19,508 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,508 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 11:55:19,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,509 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,509 - INFO - number of supporting files: 2
-2024-12-03 11:55:19,509 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-03 11:55:19,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-03 11:55:19,509 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-03 11:55:19,514 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,514 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,515 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-03 11:55:19,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-03 11:55:19,515 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:55:19,515 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 11:55:19,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,516 - INFO - number of orbitals:  88
-2024-12-03 11:55:19,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,516 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,516 - INFO - moving on ...
-2024-12-03 11:55:19,516 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 11:55:19,516 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 11:55:19,516 - INFO - problem_instance short name: Fe_1
-2024-12-03 11:55:19,516 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,516 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 11:55:19,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,517 - INFO - number of orbitals:  54
-2024-12-03 11:55:19,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,517 - INFO - moving on ...
-2024-12-03 11:55:19,518 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 11:55:19,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,519 - INFO - number of orbitals:  88
-2024-12-03 11:55:19,519 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,519 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,519 - INFO - moving on ...
-2024-12-03 11:55:19,519 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 11:55:19,519 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 11:55:19,519 - INFO - problem_instance short name: h2_s_0
-2024-12-03 11:55:19,519 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,519 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 11:55:19,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,520 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,520 - INFO - number of supporting files: 2
-2024-12-03 11:55:19,520 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-03 11:55:19,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-03 11:55:19,520 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-03 11:55:19,525 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,525 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,525 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-03 11:55:19,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-03 11:55:19,525 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:55:19,525 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 11:55:19,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,527 - INFO - number of orbitals:  119
-2024-12-03 11:55:19,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,527 - INFO - moving on ...
-2024-12-03 11:55:19,527 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 11:55:19,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,528 - INFO - number of orbitals:  62
-2024-12-03 11:55:19,528 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,528 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,528 - INFO - moving on ...
-2024-12-03 11:55:19,528 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 11:55:19,528 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 11:55:19,528 - INFO - problem_instance short name: Cu_0
-2024-12-03 11:55:19,528 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,528 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 11:55:19,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,529 - INFO - number of orbitals:  54
-2024-12-03 11:55:19,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,529 - INFO - moving on ...
-2024-12-03 11:55:19,529 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 11:55:19,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,530 - INFO - number of orbitals:  88
-2024-12-03 11:55:19,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,531 - INFO - moving on ...
-2024-12-03 11:55:19,531 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 11:55:19,531 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 11:55:19,531 - INFO - problem_instance short name: blue_dimer
-2024-12-03 11:55:19,531 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,531 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 11:55:19,531 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,531 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,531 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,533 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,533 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,533 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 11:55:19,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 11:55:19,533 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 11:55:19,538 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,538 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,538 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 11:55:19,538 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,538 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,538 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,540 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,540 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,540 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 11:55:19,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 11:55:19,540 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 11:55:19,545 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,545 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,545 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 11:55:19,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,546 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,546 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,547 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,547 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,547 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-03 11:55:19,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-03 11:55:19,547 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-03 11:55:19,552 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,552 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,552 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 11:55:19,553 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,553 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,553 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,554 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,554 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,554 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-03 11:55:19,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-03 11:55:19,554 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-03 11:55:19,559 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,559 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,560 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 11:55:19,560 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,560 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,560 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,561 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,561 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,561 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 11:55:19,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 11:55:19,562 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 11:55:19,567 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,567 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,567 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 11:55:19,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,569 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,569 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,569 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 11:55:19,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 11:55:19,569 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 11:55:19,574 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,575 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,575 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 11:55:19,575 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,575 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,575 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,577 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,577 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,577 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-03 11:55:19,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-03 11:55:19,577 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-03 11:55:19,582 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,582 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,582 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 11:55:19,582 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,582 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,582 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,584 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,584 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,584 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-03 11:55:19,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-03 11:55:19,584 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-03 11:55:19,589 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,590 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,590 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 11:55:19,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,592 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,592 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,592 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 11:55:19,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 11:55:19,592 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 11:55:19,597 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,598 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,598 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 11:55:19,598 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,598 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,598 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,600 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,600 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,600 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-03 11:55:19,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-03 11:55:19,600 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-03 11:55:19,605 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,606 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,606 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 11:55:19,606 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,606 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,606 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,608 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,608 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,608 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-03 11:55:19,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-03 11:55:19,608 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-03 11:55:19,613 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,613 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,613 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 11:55:19,613 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,613 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,613 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,615 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,615 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,615 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-03 11:55:19,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-03 11:55:19,615 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-03 11:55:19,621 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,621 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,621 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 11:55:19,621 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 11:55:19,621 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 11:55:19,621 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,621 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 11:55:19,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,623 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,623 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,623 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-03 11:55:19,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-03 11:55:19,623 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-03 11:55:19,628 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,628 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,628 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 11:55:19,629 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 11:55:19,629 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 11:55:19,629 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,629 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 11:55:19,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,630 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,630 - INFO - number of supporting files: 2
-2024-12-03 11:55:19,630 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-03 11:55:19,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-03 11:55:19,630 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-03 11:55:19,635 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,636 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,636 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-03 11:55:19,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-03 11:55:19,636 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 11:55:19,636 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 11:55:19,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,637 - INFO - number of orbitals:  78
-2024-12-03 11:55:19,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 11:55:19,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 11:55:19,637 - INFO - moving on ...
-2024-12-03 11:55:19,637 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 11:55:19,637 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 11:55:19,637 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 11:55:19,637 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,637 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 11:55:19,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,639 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,639 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,639 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 11:55:19,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 11:55:19,639 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 11:55:19,644 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,644 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,644 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 11:55:19,644 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 11:55:19,644 - INFO - problem_instance short name: ru_macho
-2024-12-03 11:55:19,645 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 11:55:19,645 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 11:55:19,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,646 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,646 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,646 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 11:55:19,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 11:55:19,647 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 11:55:19,651 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,652 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,652 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 11:55:19,652 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,652 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,652 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,654 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,654 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,654 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 11:55:19,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 11:55:19,654 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 11:55:19,659 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,659 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,659 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 11:55:19,660 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,660 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,660 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,661 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,661 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,661 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,662 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 11:55:19,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 11:55:19,662 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 11:55:19,667 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,667 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,667 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 11:55:19,667 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,667 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,667 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,669 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,669 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,669 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 11:55:19,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 11:55:19,669 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 11:55:19,674 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,675 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,675 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 11:55:19,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,675 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,675 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,677 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,677 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,677 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-03 11:55:19,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-03 11:55:19,677 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-03 11:55:19,682 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,683 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,683 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 11:55:19,683 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,683 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,685 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,685 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,685 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 11:55:19,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 11:55:19,685 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 11:55:19,690 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,691 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 11:55:19,691 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 11:55:19,691 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 11:55:19,691 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 11:55:19,691 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 11:55:19,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 11:55:19,693 - INFO - attempting to process the Hamiltonian...
-2024-12-03 11:55:19,693 - INFO - number of supporting files: 1
-2024-12-03 11:55:19,693 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-03 11:55:19,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-03 11:55:19,693 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-03 11:55:19,698 - INFO - number of entries in Hamiltonian_features.csv:  92
-2024-12-03 11:55:19,699 - INFO - did NOT find instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d in database.
-2024-12-03 11:55:19,699 - INFO - Processing instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d ...
-2024-12-03 11:55:19,699 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz...
-2024-12-03 11:55:19,744 - INFO - Connected (version 2.0, client 0)
-2024-12-03 11:55:20,301 - INFO - Authentication (publickey) successful!
-2024-12-03 11:55:20,323 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 11:55:20,590 - INFO - [chan 0] sftp session closed.
-2024-12-03 11:55:20,590 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 11:55:20,591 - INFO - decompressing file fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz...
-2024-12-03 11:55:20,741 - INFO - this script has been running for 1.89 hours.
-2024-12-03 11:55:20,741 - INFO - ===============================================
-2024-12-03 11:55:20,741 - INFO - calculating Hamiltonian features...
-2024-12-03 11:55:20,741 - INFO - reading data from fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d
-2024-12-03 11:55:21,927 - INFO - finished reading FCIDUMP data.
-2024-12-03 11:55:21,927 - INFO - data['NORB']: 45
-2024-12-03 11:55:21,927 - INFO - len(data['H1']): 45
-2024-12-03 11:55:21,927 - INFO - ao2mo.restore...
-2024-12-03 11:55:21,933 - INFO - done.
-2024-12-03 11:55:21,934 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 11:55:21,934 - INFO - done.
-2024-12-03 11:55:21,934 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 12:12:06,946 - INFO - done.
-2024-12-03 12:12:06,946 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 12:13:31,824 - INFO - done.
-2024-12-03 12:13:31,825 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 12:13:40,882 - INFO - done.
-2024-12-03 12:13:40,883 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 12:13:41,497 - INFO - done.
-2024-12-03 12:13:41,498 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 12:13:41,498 - INFO - done.
-2024-12-03 12:13:41,498 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 12:13:41,499 - INFO - done.
-2024-12-03 12:13:42,162 - INFO - Hamiltonian features calculation run time (seconds): 1101.420777
-2024-12-03 12:13:42,163 - INFO - wrote df_eigs to file: df_eigs.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.bin
-2024-12-03 12:13:42,163 - INFO - deleting file fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-03 12:13:42,166 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 12:13:42,172 - INFO - this script has been running for 2.19 hours.
-2024-12-03 12:13:42,173 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 12:13:42,173 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:13:42,173 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:13:42,174 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:13:42,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:13:42,176 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:13:42,176 - INFO - number of supporting files: 1
-2024-12-03 12:13:42,176 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 12:13:42,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 12:13:42,177 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 12:13:42,182 - INFO - number of entries in Hamiltonian_features.csv:  93
-2024-12-03 12:13:42,183 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 12:13:42,183 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 12:13:42,183 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:13:42,184 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:13:42,184 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:13:42,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:13:42,186 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:13:42,186 - INFO - number of supporting files: 1
-2024-12-03 12:13:42,187 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-03 12:13:42,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-03 12:13:42,187 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-03 12:13:42,192 - INFO - number of entries in Hamiltonian_features.csv:  93
-2024-12-03 12:13:42,193 - INFO - did NOT find instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 in database.
-2024-12-03 12:13:42,193 - INFO - Processing instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 ...
-2024-12-03 12:13:42,193 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz...
-2024-12-03 12:13:42,240 - INFO - Connected (version 2.0, client 0)
-2024-12-03 12:13:42,785 - INFO - Authentication (publickey) successful!
-2024-12-03 12:13:42,806 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 12:13:42,984 - INFO - [chan 0] sftp session closed.
-2024-12-03 12:13:42,985 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 12:13:42,985 - INFO - decompressing file fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz...
-2024-12-03 12:13:43,140 - INFO - this script has been running for 2.19 hours.
-2024-12-03 12:13:43,140 - INFO - ===============================================
-2024-12-03 12:13:43,140 - INFO - calculating Hamiltonian features...
-2024-12-03 12:13:43,140 - INFO - reading data from fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5
-2024-12-03 12:13:44,062 - INFO - finished reading FCIDUMP data.
-2024-12-03 12:13:44,062 - INFO - data['NORB']: 42
-2024-12-03 12:13:44,062 - INFO - len(data['H1']): 42
-2024-12-03 12:13:44,062 - INFO - ao2mo.restore...
-2024-12-03 12:13:44,067 - INFO - done.
-2024-12-03 12:13:44,067 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 12:13:44,068 - INFO - done.
-2024-12-03 12:13:44,068 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 12:26:24,545 - INFO - done.
-2024-12-03 12:26:24,545 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 12:27:28,470 - INFO - done.
-2024-12-03 12:27:28,470 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 12:27:34,714 - INFO - done.
-2024-12-03 12:27:34,714 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 12:27:35,104 - INFO - done.
-2024-12-03 12:27:35,105 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 12:27:35,106 - INFO - done.
-2024-12-03 12:27:35,106 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 12:27:35,107 - INFO - done.
-2024-12-03 12:27:35,593 - INFO - Hamiltonian features calculation run time (seconds): 832.452655
-2024-12-03 12:27:35,594 - INFO - wrote df_eigs to file: df_eigs.73ae455f-a729-4fac-a626-5654b03c1ef5.bin
-2024-12-03 12:27:35,595 - INFO - deleting file fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-03 12:27:35,597 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 12:27:35,604 - INFO - this script has been running for 2.43 hours.
-2024-12-03 12:27:35,604 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 12:27:35,605 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 12:27:35,605 - INFO - problem_instance short name: si_h4_0
-2024-12-03 12:27:35,606 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 12:27:35,606 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 12:27:35,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:27:35,608 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:27:35,609 - INFO - number of supporting files: 2
-2024-12-03 12:27:35,609 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-03 12:27:35,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-03 12:27:35,610 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-03 12:27:35,615 - INFO - number of entries in Hamiltonian_features.csv:  94
-2024-12-03 12:27:35,616 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-03 12:27:35,616 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-03 12:27:35,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-03 12:27:35,617 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:27:35,617 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 12:27:35,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:27:35,619 - INFO - number of orbitals:  90
-2024-12-03 12:27:35,620 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:27:35,620 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:27:35,621 - INFO - moving on ...
-2024-12-03 12:27:35,621 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 12:27:35,622 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 12:27:35,622 - INFO - problem_instance short name: c_o2_0
-2024-12-03 12:27:35,622 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 12:27:35,623 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 12:27:35,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:27:35,625 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:27:35,625 - INFO - number of supporting files: 2
-2024-12-03 12:27:35,626 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-03 12:27:35,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-03 12:27:35,626 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-03 12:27:35,632 - INFO - number of entries in Hamiltonian_features.csv:  94
-2024-12-03 12:27:35,633 - INFO - did NOT find instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 in database.
-2024-12-03 12:27:35,633 - INFO - Processing instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 ...
-2024-12-03 12:27:35,634 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz...
-2024-12-03 12:27:35,681 - INFO - Connected (version 2.0, client 0)
-2024-12-03 12:27:36,200 - INFO - Authentication (publickey) successful!
-2024-12-03 12:27:36,215 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 12:27:36,743 - INFO - [chan 0] sftp session closed.
-2024-12-03 12:27:36,744 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 12:27:36,744 - INFO - decompressing file fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz...
-2024-12-03 12:27:36,856 - INFO - this script has been running for 2.43 hours.
-2024-12-03 12:27:36,856 - INFO - ===============================================
-2024-12-03 12:27:36,856 - INFO - calculating Hamiltonian features...
-2024-12-03 12:27:36,856 - INFO - reading data from fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5
-2024-12-03 12:27:37,651 - INFO - finished reading FCIDUMP data.
-2024-12-03 12:27:37,651 - INFO - data['NORB']: 42
-2024-12-03 12:27:37,651 - INFO - len(data['H1']): 42
-2024-12-03 12:27:37,651 - INFO - ao2mo.restore...
-2024-12-03 12:27:37,655 - INFO - done.
-2024-12-03 12:27:37,655 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 12:27:37,655 - INFO - done.
-2024-12-03 12:27:37,655 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 12:32:27,942 - INFO - done.
-2024-12-03 12:32:27,942 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 12:32:41,226 - INFO - done.
-2024-12-03 12:32:41,227 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 12:32:42,363 - INFO - done.
-2024-12-03 12:32:42,364 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 12:32:42,790 - INFO - done.
-2024-12-03 12:32:42,790 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 12:32:42,791 - INFO - done.
-2024-12-03 12:32:42,792 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 12:32:42,792 - INFO - done.
-2024-12-03 12:32:42,943 - INFO - Hamiltonian features calculation run time (seconds): 306.087092
-2024-12-03 12:32:42,945 - INFO - wrote df_eigs to file: df_eigs.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.bin
-2024-12-03 12:32:42,945 - INFO - deleting file fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-03 12:32:42,948 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 12:32:42,953 - INFO - this script has been running for 2.51 hours.
-2024-12-03 12:32:42,954 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-03 12:32:42,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-03 12:32:42,955 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:32:42,955 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 12:32:42,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:32:42,958 - INFO - number of orbitals:  90
-2024-12-03 12:32:42,958 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:32:42,958 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:32:42,959 - INFO - moving on ...
-2024-12-03 12:32:42,959 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 12:32:42,960 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 12:32:42,960 - INFO - problem_instance short name: h_f_0
-2024-12-03 12:32:42,961 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 12:32:42,961 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 12:32:42,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:32:42,963 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:32:42,964 - INFO - number of supporting files: 2
-2024-12-03 12:32:42,964 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 12:32:42,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 12:32:42,964 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 12:32:42,970 - INFO - number of entries in Hamiltonian_features.csv:  95
-2024-12-03 12:32:42,971 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 12:32:42,971 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 12:32:42,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 12:32:42,971 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:32:42,971 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 12:32:42,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:32:42,973 - INFO - number of orbitals:  85
-2024-12-03 12:32:42,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:32:42,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:32:42,973 - INFO - moving on ...
-2024-12-03 12:32:42,973 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 12:32:42,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:32:42,975 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:32:42,975 - INFO - number of supporting files: 2
-2024-12-03 12:32:42,975 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-03 12:32:42,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-03 12:32:42,975 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-03 12:32:42,981 - INFO - number of entries in Hamiltonian_features.csv:  95
-2024-12-03 12:32:42,981 - INFO - did NOT find instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 in database.
-2024-12-03 12:32:42,981 - INFO - Processing instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 ...
-2024-12-03 12:32:42,981 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz...
-2024-12-03 12:32:43,027 - INFO - Connected (version 2.0, client 0)
-2024-12-03 12:32:43,589 - INFO - Authentication (publickey) successful!
-2024-12-03 12:32:43,614 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 12:32:43,801 - INFO - [chan 0] sftp session closed.
-2024-12-03 12:32:43,802 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 12:32:43,802 - INFO - decompressing file fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz...
-2024-12-03 12:32:43,954 - INFO - this script has been running for 2.51 hours.
-2024-12-03 12:32:43,954 - INFO - ===============================================
-2024-12-03 12:32:43,954 - INFO - calculating Hamiltonian features...
-2024-12-03 12:32:43,954 - INFO - reading data from fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488
-2024-12-03 12:32:45,052 - INFO - finished reading FCIDUMP data.
-2024-12-03 12:32:45,052 - INFO - data['NORB']: 44
-2024-12-03 12:32:45,052 - INFO - len(data['H1']): 44
-2024-12-03 12:32:45,052 - INFO - ao2mo.restore...
-2024-12-03 12:32:45,058 - INFO - done.
-2024-12-03 12:32:45,058 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 12:32:45,058 - INFO - done.
-2024-12-03 12:32:45,058 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 12:39:47,530 - INFO - done.
-2024-12-03 12:39:47,530 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 12:40:19,445 - INFO - done.
-2024-12-03 12:40:19,445 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 12:40:22,611 - INFO - done.
-2024-12-03 12:40:22,612 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 12:40:23,130 - INFO - done.
-2024-12-03 12:40:23,131 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 12:40:23,132 - INFO - done.
-2024-12-03 12:40:23,132 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 12:40:23,132 - INFO - done.
-2024-12-03 12:40:23,435 - INFO - Hamiltonian features calculation run time (seconds): 459.480256
-2024-12-03 12:40:23,436 - INFO - wrote df_eigs to file: df_eigs.819ffa8e-51ee-4e78-aa07-17686d7a9488.bin
-2024-12-03 12:40:23,436 - INFO - deleting file fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-03 12:40:23,440 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 12:40:23,446 - INFO - this script has been running for 2.64 hours.
-2024-12-03 12:40:23,446 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-03 12:40:23,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-03 12:40:23,447 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:40:23,448 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 12:40:23,449 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 12:40:23,449 - INFO - problem_instance short name: CuO_0
-2024-12-03 12:40:23,450 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 12:40:23,450 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 12:40:23,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:40:23,452 - INFO - number of orbitals:  76
-2024-12-03 12:40:23,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:40:23,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:40:23,454 - INFO - moving on ...
-2024-12-03 12:40:23,454 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 12:40:23,454 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 12:40:23,455 - INFO - problem_instance short name: Cr_0
-2024-12-03 12:40:23,455 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 12:40:23,456 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 12:40:23,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:40:23,458 - INFO - number of orbitals:  54
-2024-12-03 12:40:23,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:40:23,459 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:40:23,459 - INFO - moving on ...
-2024-12-03 12:40:23,459 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 12:40:23,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:40:23,464 - INFO - number of orbitals:  88
-2024-12-03 12:40:23,464 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:40:23,464 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:40:23,464 - INFO - moving on ...
-2024-12-03 12:40:23,464 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 12:40:23,465 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 12:40:23,465 - INFO - problem_instance short name: n_h3_0
-2024-12-03 12:40:23,465 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 12:40:23,465 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 12:40:23,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:40:23,469 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:40:23,469 - INFO - number of supporting files: 2
-2024-12-03 12:40:23,469 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-03 12:40:23,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-03 12:40:23,470 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-03 12:40:23,475 - INFO - number of entries in Hamiltonian_features.csv:  96
-2024-12-03 12:40:23,475 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-03 12:40:23,476 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-03 12:40:23,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-03 12:40:23,476 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:40:23,476 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 12:40:23,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:40:23,477 - INFO - number of orbitals:  72
-2024-12-03 12:40:23,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:40:23,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:40:23,477 - INFO - moving on ...
-2024-12-03 12:40:23,477 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 12:40:23,477 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 12:40:23,477 - INFO - problem_instance short name: O_0
-2024-12-03 12:40:23,478 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 12:40:23,478 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 12:40:23,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:40:23,479 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:40:23,479 - INFO - number of supporting files: 2
-2024-12-03 12:40:23,479 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-03 12:40:23,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-03 12:40:23,479 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-03 12:40:23,484 - INFO - number of entries in Hamiltonian_features.csv:  96
-2024-12-03 12:40:23,485 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-03 12:40:23,485 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-03 12:40:23,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-03 12:40:23,485 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:40:23,485 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 12:40:23,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:40:23,486 - INFO - number of orbitals:  79
-2024-12-03 12:40:23,486 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:40:23,486 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:40:23,486 - INFO - moving on ...
-2024-12-03 12:40:23,486 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 12:40:23,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:40:23,487 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:40:23,488 - INFO - number of supporting files: 2
-2024-12-03 12:40:23,488 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-03 12:40:23,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-03 12:40:23,488 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-03 12:40:23,493 - INFO - number of entries in Hamiltonian_features.csv:  96
-2024-12-03 12:40:23,493 - INFO - did NOT find instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb in database.
-2024-12-03 12:40:23,493 - INFO - Processing instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb ...
-2024-12-03 12:40:23,493 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz...
-2024-12-03 12:40:23,538 - INFO - Connected (version 2.0, client 0)
-2024-12-03 12:40:24,076 - INFO - Authentication (publickey) successful!
-2024-12-03 12:40:24,099 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 12:40:24,297 - INFO - [chan 0] sftp session closed.
-2024-12-03 12:40:24,298 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 12:40:24,298 - INFO - decompressing file fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz...
-2024-12-03 12:40:24,381 - INFO - this script has been running for 2.64 hours.
-2024-12-03 12:40:24,381 - INFO - ===============================================
-2024-12-03 12:40:24,381 - INFO - calculating Hamiltonian features...
-2024-12-03 12:40:24,381 - INFO - reading data from fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb
-2024-12-03 12:40:25,073 - INFO - finished reading FCIDUMP data.
-2024-12-03 12:40:25,073 - INFO - data['NORB']: 45
-2024-12-03 12:40:25,073 - INFO - len(data['H1']): 45
-2024-12-03 12:40:25,073 - INFO - ao2mo.restore...
-2024-12-03 12:40:25,080 - INFO - done.
-2024-12-03 12:40:25,080 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 12:40:25,080 - INFO - done.
-2024-12-03 12:40:25,080 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 12:44:57,237 - INFO - done.
-2024-12-03 12:44:57,237 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 12:45:15,383 - INFO - done.
-2024-12-03 12:45:15,384 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 12:45:16,870 - INFO - done.
-2024-12-03 12:45:16,870 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 12:45:17,480 - INFO - done.
-2024-12-03 12:45:17,481 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 12:45:17,482 - INFO - done.
-2024-12-03 12:45:17,482 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 12:45:17,483 - INFO - done.
-2024-12-03 12:45:17,741 - INFO - Hamiltonian features calculation run time (seconds): 293.360124
-2024-12-03 12:45:17,743 - INFO - wrote df_eigs to file: df_eigs.1661aaae-621a-430d-990a-bcbbbe270dfb.bin
-2024-12-03 12:45:17,743 - INFO - deleting file fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-03 12:45:17,746 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 12:45:17,752 - INFO - this script has been running for 2.72 hours.
-2024-12-03 12:45:17,752 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-03 12:45:17,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-03 12:45:17,753 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:45:17,754 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 12:45:17,755 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 12:45:17,755 - INFO - problem_instance short name: s_o2_0
-2024-12-03 12:45:17,756 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,756 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 12:45:17,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,759 - INFO - number of orbitals:  46
-2024-12-03 12:45:17,759 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,759 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,760 - INFO - moving on ...
-2024-12-03 12:45:17,760 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 12:45:17,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,761 - INFO - number of orbitals:  94
-2024-12-03 12:45:17,761 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,761 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,761 - INFO - moving on ...
-2024-12-03 12:45:17,761 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 12:45:17,762 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 12:45:17,762 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 12:45:17,762 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,762 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 12:45:17,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,763 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,763 - INFO - number of supporting files: 1
-2024-12-03 12:45:17,763 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 12:45:17,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 12:45:17,763 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 12:45:17,770 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,770 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 12:45:17,771 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 12:45:17,771 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 12:45:17,771 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 12:45:17,771 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,771 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 12:45:17,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,772 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,772 - INFO - number of supporting files: 1
-2024-12-03 12:45:17,772 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 12:45:17,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 12:45:17,773 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 12:45:17,778 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,779 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 12:45:17,779 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 12:45:17,779 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 12:45:17,779 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 12:45:17,779 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,779 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 12:45:17,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,780 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,780 - INFO - number of supporting files: 2
-2024-12-03 12:45:17,780 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 12:45:17,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 12:45:17,780 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 12:45:17,786 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,786 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 12:45:17,786 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 12:45:17,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 12:45:17,787 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:45:17,787 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 12:45:17,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,788 - INFO - number of orbitals:  115
-2024-12-03 12:45:17,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,788 - INFO - moving on ...
-2024-12-03 12:45:17,788 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 12:45:17,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,789 - INFO - number of orbitals:  58
-2024-12-03 12:45:17,789 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,789 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,789 - INFO - moving on ...
-2024-12-03 12:45:17,789 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 12:45:17,790 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 12:45:17,790 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 12:45:17,790 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,790 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 12:45:17,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,791 - INFO - number of orbitals:  52
-2024-12-03 12:45:17,791 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,791 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,791 - INFO - moving on ...
-2024-12-03 12:45:17,791 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 12:45:17,791 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 12:45:17,791 - INFO - problem_instance short name: mo_n2
-2024-12-03 12:45:17,791 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,791 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 12:45:17,791 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,792 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,792 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,793 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,793 - INFO - number of supporting files: 1
-2024-12-03 12:45:17,793 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-03 12:45:17,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-03 12:45:17,793 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-03 12:45:17,799 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,799 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-03 12:45:17,799 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 12:45:17,799 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,799 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,799 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,801 - INFO - number of orbitals:  46
-2024-12-03 12:45:17,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,801 - INFO - moving on ...
-2024-12-03 12:45:17,801 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 12:45:17,801 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,801 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,801 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,803 - INFO - number of orbitals:  46
-2024-12-03 12:45:17,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,803 - INFO - moving on ...
-2024-12-03 12:45:17,803 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 12:45:17,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,805 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,805 - INFO - number of supporting files: 1
-2024-12-03 12:45:17,805 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-03 12:45:17,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-03 12:45:17,805 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-03 12:45:17,811 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,811 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-03 12:45:17,811 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 12:45:17,811 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 12:45:17,811 - INFO - problem_instance short name: Cr_1
-2024-12-03 12:45:17,811 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,811 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 12:45:17,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,813 - INFO - number of orbitals:  54
-2024-12-03 12:45:17,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,813 - INFO - moving on ...
-2024-12-03 12:45:17,813 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 12:45:17,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,814 - INFO - number of orbitals:  135
-2024-12-03 12:45:17,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,814 - INFO - moving on ...
-2024-12-03 12:45:17,814 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 12:45:17,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,815 - INFO - number of orbitals:  88
-2024-12-03 12:45:17,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,816 - INFO - moving on ...
-2024-12-03 12:45:17,816 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 12:45:17,816 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 12:45:17,816 - INFO - problem_instance short name: na2_0
-2024-12-03 12:45:17,816 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,816 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 12:45:17,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,817 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,817 - INFO - number of supporting files: 2
-2024-12-03 12:45:17,817 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-03 12:45:17,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-03 12:45:17,817 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-03 12:45:17,822 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,823 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-03 12:45:17,823 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-03 12:45:17,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-03 12:45:17,823 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:45:17,823 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 12:45:17,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,824 - INFO - number of orbitals:  118
-2024-12-03 12:45:17,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,824 - INFO - moving on ...
-2024-12-03 12:45:17,824 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 12:45:17,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,826 - INFO - number of orbitals:  68
-2024-12-03 12:45:17,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,826 - INFO - moving on ...
-2024-12-03 12:45:17,826 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 12:45:17,826 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 12:45:17,826 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 12:45:17,826 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,826 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 12:45:17,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,827 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,827 - INFO - number of supporting files: 1
-2024-12-03 12:45:17,827 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 12:45:17,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 12:45:17,827 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 12:45:17,833 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,833 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 12:45:17,833 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 12:45:17,833 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 12:45:17,833 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 12:45:17,833 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,833 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 12:45:17,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,835 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,835 - INFO - number of supporting files: 2
-2024-12-03 12:45:17,835 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-03 12:45:17,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-03 12:45:17,835 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-03 12:45:17,840 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,840 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-03 12:45:17,840 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-03 12:45:17,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-03 12:45:17,840 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 12:45:17,841 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 12:45:17,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,842 - INFO - number of orbitals:  74
-2024-12-03 12:45:17,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,842 - INFO - moving on ...
-2024-12-03 12:45:17,842 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 12:45:17,842 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 12:45:17,842 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 12:45:17,842 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,842 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 12:45:17,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,843 - INFO - number of orbitals:  58
-2024-12-03 12:45:17,843 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,843 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,843 - INFO - moving on ...
-2024-12-03 12:45:17,843 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 12:45:17,844 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 12:45:17,844 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 12:45:17,844 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,844 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 12:45:17,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,845 - INFO - number of orbitals:  48
-2024-12-03 12:45:17,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,845 - INFO - moving on ...
-2024-12-03 12:45:17,845 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 12:45:17,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,846 - INFO - number of orbitals:  116
-2024-12-03 12:45:17,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,846 - INFO - moving on ...
-2024-12-03 12:45:17,846 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 12:45:17,847 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 12:45:17,847 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 12:45:17,847 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 12:45:17,847 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 12:45:17,847 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,847 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,847 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,849 - INFO - number of orbitals:  55
-2024-12-03 12:45:17,849 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,849 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,849 - INFO - moving on ...
-2024-12-03 12:45:17,849 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 12:45:17,849 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,849 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,849 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,850 - INFO - number of orbitals:  70
-2024-12-03 12:45:17,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,851 - INFO - moving on ...
-2024-12-03 12:45:17,851 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 12:45:17,851 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,852 - INFO - number of orbitals:  55
-2024-12-03 12:45:17,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,853 - INFO - moving on ...
-2024-12-03 12:45:17,853 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 12:45:17,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,854 - INFO - number of orbitals:  69
-2024-12-03 12:45:17,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 12:45:17,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 12:45:17,854 - INFO - moving on ...
-2024-12-03 12:45:17,855 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 12:45:17,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,855 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,855 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,856 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,856 - INFO - number of supporting files: 1
-2024-12-03 12:45:17,856 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-03 12:45:17,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-03 12:45:17,857 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-03 12:45:17,862 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,862 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-03 12:45:17,862 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 12:45:17,862 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 12:45:17,862 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 12:45:17,862 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 12:45:17,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 12:45:17,864 - INFO - attempting to process the Hamiltonian...
-2024-12-03 12:45:17,864 - INFO - number of supporting files: 1
-2024-12-03 12:45:17,864 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-03 12:45:17,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-03 12:45:17,864 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-03 12:45:17,869 - INFO - number of entries in Hamiltonian_features.csv:  97
-2024-12-03 12:45:17,870 - INFO - did NOT find instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 in database.
-2024-12-03 12:45:17,870 - INFO - Processing instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 ...
-2024-12-03 12:45:17,870 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz...
-2024-12-03 12:45:17,914 - INFO - Connected (version 2.0, client 0)
-2024-12-03 12:45:18,438 - INFO - Authentication (publickey) successful!
-2024-12-03 12:45:18,453 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 12:45:18,736 - INFO - [chan 0] sftp session closed.
-2024-12-03 12:45:18,737 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 12:45:18,737 - INFO - decompressing file fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz...
-2024-12-03 12:45:18,924 - INFO - this script has been running for 2.72 hours.
-2024-12-03 12:45:18,924 - INFO - ===============================================
-2024-12-03 12:45:18,925 - INFO - calculating Hamiltonian features...
-2024-12-03 12:45:18,925 - INFO - reading data from fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42
-2024-12-03 12:45:20,262 - INFO - finished reading FCIDUMP data.
-2024-12-03 12:45:20,262 - INFO - data['NORB']: 45
-2024-12-03 12:45:20,262 - INFO - len(data['H1']): 45
-2024-12-03 12:45:20,263 - INFO - ao2mo.restore...
-2024-12-03 12:45:20,269 - INFO - done.
-2024-12-03 12:45:20,269 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 12:45:20,269 - INFO - done.
-2024-12-03 12:45:20,270 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 13:02:35,707 - INFO - done.
-2024-12-03 13:02:35,708 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 13:04:04,097 - INFO - done.
-2024-12-03 13:04:04,097 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 13:04:13,171 - INFO - done.
-2024-12-03 13:04:13,171 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 13:04:13,963 - INFO - done.
-2024-12-03 13:04:13,964 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 13:04:13,965 - INFO - done.
-2024-12-03 13:04:13,965 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 13:04:13,966 - INFO - done.
-2024-12-03 13:04:14,652 - INFO - Hamiltonian features calculation run time (seconds): 1135.72675
-2024-12-03 13:04:14,654 - INFO - wrote df_eigs to file: df_eigs.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.bin
-2024-12-03 13:04:14,655 - INFO - deleting file fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-03 13:04:14,659 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 13:04:14,666 - INFO - this script has been running for 3.04 hours.
-2024-12-03 13:04:14,666 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 13:04:14,667 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 13:04:14,667 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 13:04:14,668 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 13:04:14,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 13:04:14,671 - INFO - number of orbitals:  55
-2024-12-03 13:04:14,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 13:04:14,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 13:04:14,671 - INFO - moving on ...
-2024-12-03 13:04:14,671 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 13:04:14,672 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 13:04:14,672 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 13:04:14,672 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 13:04:14,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 13:04:14,674 - INFO - number of orbitals:  69
-2024-12-03 13:04:14,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 13:04:14,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 13:04:14,674 - INFO - moving on ...
-2024-12-03 13:04:14,674 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 13:04:14,674 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 13:04:14,674 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 13:04:14,674 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 13:04:14,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 13:04:14,677 - INFO - attempting to process the Hamiltonian...
-2024-12-03 13:04:14,677 - INFO - number of supporting files: 1
-2024-12-03 13:04:14,677 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-03 13:04:14,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-03 13:04:14,677 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-03 13:04:14,684 - INFO - number of entries in Hamiltonian_features.csv:  98
-2024-12-03 13:04:14,684 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-03 13:04:14,684 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 13:04:14,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 13:04:14,685 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 13:04:14,685 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 13:04:14,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 13:04:14,687 - INFO - attempting to process the Hamiltonian...
-2024-12-03 13:04:14,687 - INFO - number of supporting files: 1
-2024-12-03 13:04:14,687 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-03 13:04:14,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-03 13:04:14,687 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-03 13:04:14,693 - INFO - number of entries in Hamiltonian_features.csv:  98
-2024-12-03 13:04:14,693 - INFO - did NOT find instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 in database.
-2024-12-03 13:04:14,693 - INFO - Processing instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 ...
-2024-12-03 13:04:14,693 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz...
-2024-12-03 13:04:14,737 - INFO - Connected (version 2.0, client 0)
-2024-12-03 13:04:15,302 - INFO - Authentication (publickey) successful!
-2024-12-03 13:04:15,324 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 13:04:15,679 - INFO - [chan 0] sftp session closed.
-2024-12-03 13:04:15,679 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 13:04:15,679 - INFO - decompressing file fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz...
-2024-12-03 13:04:15,831 - INFO - this script has been running for 3.04 hours.
-2024-12-03 13:04:15,831 - INFO - ===============================================
-2024-12-03 13:04:15,831 - INFO - calculating Hamiltonian features...
-2024-12-03 13:04:15,832 - INFO - reading data from fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4
-2024-12-03 13:04:17,094 - INFO - finished reading FCIDUMP data.
-2024-12-03 13:04:17,095 - INFO - data['NORB']: 45
-2024-12-03 13:04:17,095 - INFO - len(data['H1']): 45
-2024-12-03 13:04:17,095 - INFO - ao2mo.restore...
-2024-12-03 13:04:17,100 - INFO - done.
-2024-12-03 13:04:17,101 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 13:04:17,101 - INFO - done.
-2024-12-03 13:04:17,101 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 13:21:35,052 - INFO - done.
-2024-12-03 13:21:35,052 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 13:23:03,436 - INFO - done.
-2024-12-03 13:23:03,437 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 13:23:12,188 - INFO - done.
-2024-12-03 13:23:12,189 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 13:23:12,833 - INFO - done.
-2024-12-03 13:23:12,834 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 13:23:12,835 - INFO - done.
-2024-12-03 13:23:12,835 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 13:23:12,836 - INFO - done.
-2024-12-03 13:23:13,599 - INFO - Hamiltonian features calculation run time (seconds): 1137.767133
-2024-12-03 13:23:13,601 - INFO - wrote df_eigs to file: df_eigs.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.bin
-2024-12-03 13:23:13,602 - INFO - deleting file fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-03 13:23:13,605 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 13:23:13,613 - INFO - this script has been running for 3.35 hours.
-2024-12-03 13:23:13,614 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 13:23:13,614 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 13:23:13,615 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 13:23:13,615 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 13:23:13,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 13:23:13,618 - INFO - attempting to process the Hamiltonian...
-2024-12-03 13:23:13,619 - INFO - number of supporting files: 1
-2024-12-03 13:23:13,619 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-03 13:23:13,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-03 13:23:13,620 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-03 13:23:13,627 - INFO - number of entries in Hamiltonian_features.csv:  99
-2024-12-03 13:23:13,628 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-03 13:23:13,628 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 13:23:13,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 13:23:13,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 13:23:13,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 13:23:13,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 13:23:13,633 - INFO - attempting to process the Hamiltonian...
-2024-12-03 13:23:13,633 - INFO - number of supporting files: 1
-2024-12-03 13:23:13,634 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-03 13:23:13,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-03 13:23:13,635 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-03 13:23:13,641 - INFO - number of entries in Hamiltonian_features.csv:  99
-2024-12-03 13:23:13,642 - INFO - did NOT find instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a in database.
-2024-12-03 13:23:13,642 - INFO - Processing instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a ...
-2024-12-03 13:23:13,643 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz...
-2024-12-03 13:23:13,690 - INFO - Connected (version 2.0, client 0)
-2024-12-03 13:23:14,243 - INFO - Authentication (publickey) successful!
-2024-12-03 13:23:14,263 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 13:23:14,550 - INFO - [chan 0] sftp session closed.
-2024-12-03 13:23:14,551 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 13:23:14,551 - INFO - decompressing file fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz...
-2024-12-03 13:23:14,758 - INFO - this script has been running for 3.35 hours.
-2024-12-03 13:23:14,759 - INFO - ===============================================
-2024-12-03 13:23:14,759 - INFO - calculating Hamiltonian features...
-2024-12-03 13:23:14,759 - INFO - reading data from fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a
-2024-12-03 13:23:16,058 - INFO - finished reading FCIDUMP data.
-2024-12-03 13:23:16,058 - INFO - data['NORB']: 45
-2024-12-03 13:23:16,058 - INFO - len(data['H1']): 45
-2024-12-03 13:23:16,059 - INFO - ao2mo.restore...
-2024-12-03 13:23:16,065 - INFO - done.
-2024-12-03 13:23:16,065 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 13:23:16,065 - INFO - done.
-2024-12-03 13:23:16,065 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 13:40:30,999 - INFO - done.
-2024-12-03 13:40:30,999 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 13:41:58,711 - INFO - done.
-2024-12-03 13:41:58,712 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 13:42:07,762 - INFO - done.
-2024-12-03 13:42:07,763 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 13:42:08,387 - INFO - done.
-2024-12-03 13:42:08,387 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 13:42:08,388 - INFO - done.
-2024-12-03 13:42:08,389 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 13:42:08,389 - INFO - done.
-2024-12-03 13:42:09,089 - INFO - Hamiltonian features calculation run time (seconds): 1134.330788
-2024-12-03 13:42:09,091 - INFO - wrote df_eigs to file: df_eigs.98016425-092d-41a4-b397-9b4b237c582a.bin
-2024-12-03 13:42:09,092 - INFO - deleting file fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-03 13:42:09,096 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 13:42:09,106 - INFO - this script has been running for 3.67 hours.
-2024-12-03 13:42:09,106 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 13:42:09,107 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 13:42:09,107 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 13:42:09,108 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 13:42:09,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 13:42:09,110 - INFO - attempting to process the Hamiltonian...
-2024-12-03 13:42:09,111 - INFO - number of supporting files: 1
-2024-12-03 13:42:09,111 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-03 13:42:09,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-03 13:42:09,111 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-03 13:42:09,118 - INFO - number of entries in Hamiltonian_features.csv:  100
-2024-12-03 13:42:09,118 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-03 13:42:09,118 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 13:42:09,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 13:42:09,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 13:42:09,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 13:42:09,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 13:42:09,120 - INFO - attempting to process the Hamiltonian...
-2024-12-03 13:42:09,120 - INFO - number of supporting files: 1
-2024-12-03 13:42:09,120 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-03 13:42:09,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-03 13:42:09,120 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-03 13:42:09,126 - INFO - number of entries in Hamiltonian_features.csv:  100
-2024-12-03 13:42:09,127 - INFO - did NOT find instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 in database.
-2024-12-03 13:42:09,127 - INFO - Processing instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 ...
-2024-12-03 13:42:09,127 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz...
-2024-12-03 13:42:09,171 - INFO - Connected (version 2.0, client 0)
-2024-12-03 13:42:09,713 - INFO - Authentication (publickey) successful!
-2024-12-03 13:42:09,731 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 13:42:10,061 - INFO - [chan 0] sftp session closed.
-2024-12-03 13:42:10,062 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 13:42:10,063 - INFO - decompressing file fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz...
-2024-12-03 13:42:10,290 - INFO - this script has been running for 3.67 hours.
-2024-12-03 13:42:10,291 - INFO - ===============================================
-2024-12-03 13:42:10,291 - INFO - calculating Hamiltonian features...
-2024-12-03 13:42:10,291 - INFO - reading data from fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4
-2024-12-03 13:42:11,605 - INFO - finished reading FCIDUMP data.
-2024-12-03 13:42:11,605 - INFO - data['NORB']: 45
-2024-12-03 13:42:11,605 - INFO - len(data['H1']): 45
-2024-12-03 13:42:11,605 - INFO - ao2mo.restore...
-2024-12-03 13:42:11,611 - INFO - done.
-2024-12-03 13:42:11,611 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 13:42:11,611 - INFO - done.
-2024-12-03 13:42:11,611 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 13:59:12,012 - INFO - done.
-2024-12-03 13:59:12,012 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 14:00:38,418 - INFO - done.
-2024-12-03 14:00:38,418 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 14:00:47,211 - INFO - done.
-2024-12-03 14:00:47,212 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 14:00:48,085 - INFO - done.
-2024-12-03 14:00:48,087 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 14:00:48,088 - INFO - done.
-2024-12-03 14:00:48,089 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 14:00:48,089 - INFO - done.
-2024-12-03 14:00:48,835 - INFO - Hamiltonian features calculation run time (seconds): 1118.544073
-2024-12-03 14:00:48,837 - INFO - wrote df_eigs to file: df_eigs.f7797f63-30ab-40e0-8ca6-042c9aa932b4.bin
-2024-12-03 14:00:48,838 - INFO - deleting file fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-03 14:00:48,841 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 14:00:48,849 - INFO - this script has been running for 3.98 hours.
-2024-12-03 14:00:48,850 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 14:00:48,850 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:00:48,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:00:48,852 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:00:48,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,856 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:48,856 - INFO - number of supporting files: 1
-2024-12-03 14:00:48,857 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 14:00:48,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 14:00:48,857 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 14:00:48,864 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:48,864 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 14:00:48,865 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 14:00:48,865 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:00:48,865 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:00:48,865 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:00:48,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,867 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:48,867 - INFO - number of supporting files: 1
-2024-12-03 14:00:48,867 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-03 14:00:48,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-03 14:00:48,867 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-03 14:00:48,876 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:48,877 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-03 14:00:48,877 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 14:00:48,877 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 14:00:48,878 - INFO - problem_instance short name: li2_0
-2024-12-03 14:00:48,878 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,878 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 14:00:48,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,880 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:48,880 - INFO - number of supporting files: 2
-2024-12-03 14:00:48,880 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-03 14:00:48,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-03 14:00:48,880 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-03 14:00:48,890 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:48,890 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-03 14:00:48,890 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-03 14:00:48,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-03 14:00:48,890 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:00:48,890 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 14:00:48,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,892 - INFO - number of orbitals:  110
-2024-12-03 14:00:48,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,893 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,893 - INFO - moving on ...
-2024-12-03 14:00:48,893 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 14:00:48,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,894 - INFO - number of orbitals:  60
-2024-12-03 14:00:48,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,895 - INFO - moving on ...
-2024-12-03 14:00:48,895 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 14:00:48,895 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 14:00:48,895 - INFO - problem_instance short name: cl2_0
-2024-12-03 14:00:48,895 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,895 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 14:00:48,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,897 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:48,897 - INFO - number of supporting files: 2
-2024-12-03 14:00:48,897 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-03 14:00:48,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-03 14:00:48,897 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-03 14:00:48,907 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:48,907 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-03 14:00:48,907 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-03 14:00:48,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-03 14:00:48,907 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:00:48,907 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 14:00:48,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,909 - INFO - number of orbitals:  118
-2024-12-03 14:00:48,909 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,909 - INFO - moving on ...
-2024-12-03 14:00:48,909 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 14:00:48,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,911 - INFO - number of orbitals:  68
-2024-12-03 14:00:48,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,912 - INFO - moving on ...
-2024-12-03 14:00:48,912 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 14:00:48,912 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 14:00:48,912 - INFO - problem_instance short name: Sc_0
-2024-12-03 14:00:48,912 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,912 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 14:00:48,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,914 - INFO - number of orbitals:  54
-2024-12-03 14:00:48,914 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,914 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,914 - INFO - moving on ...
-2024-12-03 14:00:48,914 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 14:00:48,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,916 - INFO - number of orbitals:  135
-2024-12-03 14:00:48,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,916 - INFO - moving on ...
-2024-12-03 14:00:48,916 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 14:00:48,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,918 - INFO - number of orbitals:  88
-2024-12-03 14:00:48,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,918 - INFO - moving on ...
-2024-12-03 14:00:48,918 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 14:00:48,918 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 14:00:48,918 - INFO - problem_instance short name: ScO_0
-2024-12-03 14:00:48,918 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,919 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 14:00:48,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,920 - INFO - number of orbitals:  76
-2024-12-03 14:00:48,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,920 - INFO - moving on ...
-2024-12-03 14:00:48,920 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 14:00:48,921 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 14:00:48,921 - INFO - problem_instance short name: Cu_1
-2024-12-03 14:00:48,921 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,921 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 14:00:48,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,922 - INFO - number of orbitals:  54
-2024-12-03 14:00:48,922 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,922 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,923 - INFO - moving on ...
-2024-12-03 14:00:48,923 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 14:00:48,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,924 - INFO - number of orbitals:  88
-2024-12-03 14:00:48,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,924 - INFO - moving on ...
-2024-12-03 14:00:48,924 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 14:00:48,925 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 14:00:48,925 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 14:00:48,925 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,925 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 14:00:48,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,926 - INFO - number of orbitals:  66
-2024-12-03 14:00:48,927 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,927 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,927 - INFO - moving on ...
-2024-12-03 14:00:48,927 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 14:00:48,927 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 14:00:48,927 - INFO - problem_instance short name: be_0
-2024-12-03 14:00:48,927 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,927 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 14:00:48,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,929 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:48,929 - INFO - number of supporting files: 2
-2024-12-03 14:00:48,929 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 14:00:48,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 14:00:48,929 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 14:00:48,937 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:48,938 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 14:00:48,938 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 14:00:48,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 14:00:48,938 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:00:48,938 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 14:00:48,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,939 - INFO - number of orbitals:  55
-2024-12-03 14:00:48,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,939 - INFO - moving on ...
-2024-12-03 14:00:48,939 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 14:00:48,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,941 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:48,941 - INFO - number of supporting files: 2
-2024-12-03 14:00:48,941 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-03 14:00:48,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-03 14:00:48,941 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-03 14:00:48,947 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:48,948 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-03 14:00:48,948 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-03 14:00:48,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-03 14:00:48,948 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:00:48,948 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 14:00:48,948 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 14:00:48,948 - INFO - problem_instance short name: TiO_0
-2024-12-03 14:00:48,948 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,948 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 14:00:48,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,950 - INFO - number of orbitals:  76
-2024-12-03 14:00:48,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,950 - INFO - moving on ...
-2024-12-03 14:00:48,950 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 14:00:48,950 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 14:00:48,950 - INFO - problem_instance short name: Mn_1
-2024-12-03 14:00:48,950 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,950 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 14:00:48,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,952 - INFO - number of orbitals:  54
-2024-12-03 14:00:48,952 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,952 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,952 - INFO - moving on ...
-2024-12-03 14:00:48,952 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 14:00:48,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,953 - INFO - number of orbitals:  88
-2024-12-03 14:00:48,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,953 - INFO - moving on ...
-2024-12-03 14:00:48,953 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 14:00:48,954 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 14:00:48,954 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 14:00:48,954 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,954 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 14:00:48,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,955 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:48,955 - INFO - number of supporting files: 2
-2024-12-03 14:00:48,955 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-03 14:00:48,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-03 14:00:48,955 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-03 14:00:48,961 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:48,962 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-03 14:00:48,962 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-03 14:00:48,962 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-03 14:00:48,962 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:00:48,962 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 14:00:48,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,963 - INFO - number of orbitals:  88
-2024-12-03 14:00:48,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,964 - INFO - moving on ...
-2024-12-03 14:00:48,964 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 14:00:48,964 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 14:00:48,964 - INFO - problem_instance short name: V_1
-2024-12-03 14:00:48,964 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,964 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 14:00:48,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,965 - INFO - number of orbitals:  54
-2024-12-03 14:00:48,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,965 - INFO - moving on ...
-2024-12-03 14:00:48,965 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 14:00:48,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,967 - INFO - number of orbitals:  88
-2024-12-03 14:00:48,967 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,967 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,967 - INFO - moving on ...
-2024-12-03 14:00:48,967 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 14:00:48,967 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 14:00:48,967 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 14:00:48,967 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,967 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 14:00:48,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,968 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:48,968 - INFO - number of supporting files: 2
-2024-12-03 14:00:48,968 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-03 14:00:48,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-03 14:00:48,968 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-03 14:00:48,975 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:48,975 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-03 14:00:48,975 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-03 14:00:48,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-03 14:00:48,975 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:00:48,975 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 14:00:48,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,977 - INFO - number of orbitals:  88
-2024-12-03 14:00:48,977 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,977 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,977 - INFO - moving on ...
-2024-12-03 14:00:48,977 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 14:00:48,977 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 14:00:48,977 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 14:00:48,977 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,977 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 14:00:48,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,979 - INFO - number of orbitals:  70
-2024-12-03 14:00:48,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,979 - INFO - moving on ...
-2024-12-03 14:00:48,979 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 14:00:48,979 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 14:00:48,979 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 14:00:48,979 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,979 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 14:00:48,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,980 - INFO - number of orbitals:  48
-2024-12-03 14:00:48,980 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,981 - INFO - moving on ...
-2024-12-03 14:00:48,981 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 14:00:48,981 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 14:00:48,981 - INFO - problem_instance short name: mo2_n2
-2024-12-03 14:00:48,981 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,981 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 14:00:48,981 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:00:48,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:00:48,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:00:48,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,983 - INFO - number of orbitals:  69
-2024-12-03 14:00:48,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,983 - INFO - moving on ...
-2024-12-03 14:00:48,983 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 14:00:48,983 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:00:48,983 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:00:48,983 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:00:48,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,985 - INFO - number of orbitals:  70
-2024-12-03 14:00:48,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,985 - INFO - moving on ...
-2024-12-03 14:00:48,985 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 14:00:48,985 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:00:48,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:00:48,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:00:48,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,987 - INFO - number of orbitals:  69
-2024-12-03 14:00:48,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,987 - INFO - moving on ...
-2024-12-03 14:00:48,987 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 14:00:48,987 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 14:00:48,987 - INFO - problem_instance short name: Ti_0
-2024-12-03 14:00:48,987 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,987 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 14:00:48,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,988 - INFO - number of orbitals:  54
-2024-12-03 14:00:48,989 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,989 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,989 - INFO - moving on ...
-2024-12-03 14:00:48,989 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 14:00:48,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,990 - INFO - number of orbitals:  88
-2024-12-03 14:00:48,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:48,990 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:48,990 - INFO - moving on ...
-2024-12-03 14:00:48,990 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 14:00:48,990 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 14:00:48,990 - INFO - problem_instance short name: c_o_0
-2024-12-03 14:00:48,990 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:00:48,990 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 14:00:48,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:48,991 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:48,992 - INFO - number of supporting files: 2
-2024-12-03 14:00:48,992 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-03 14:00:48,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-03 14:00:48,992 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-03 14:00:48,998 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:48,998 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-03 14:00:48,999 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-03 14:00:48,999 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-03 14:00:48,999 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:00:48,999 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 14:00:49,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:49,000 - INFO - number of orbitals:  110
-2024-12-03 14:00:49,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:49,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:49,000 - INFO - moving on ...
-2024-12-03 14:00:49,000 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 14:00:49,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:49,001 - INFO - number of orbitals:  60
-2024-12-03 14:00:49,001 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:49,002 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:49,002 - INFO - moving on ...
-2024-12-03 14:00:49,002 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 14:00:49,002 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 14:00:49,002 - INFO - problem_instance short name: VO_0
-2024-12-03 14:00:49,002 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:00:49,002 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 14:00:49,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:49,003 - INFO - number of orbitals:  76
-2024-12-03 14:00:49,003 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:00:49,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:00:49,003 - INFO - moving on ...
-2024-12-03 14:00:49,003 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 14:00:49,003 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 14:00:49,003 - INFO - problem_instance short name: ozone
-2024-12-03 14:00:49,003 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 14:00:49,003 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 14:00:49,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:00:49,004 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:00:49,004 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:00:49,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:00:49,005 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:00:49,005 - INFO - number of supporting files: 1
-2024-12-03 14:00:49,005 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-03 14:00:49,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-03 14:00:49,005 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-03 14:00:49,012 - INFO - number of entries in Hamiltonian_features.csv:  101
-2024-12-03 14:00:49,012 - INFO - did NOT find instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 in database.
-2024-12-03 14:00:49,012 - INFO - Processing instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 ...
-2024-12-03 14:00:49,012 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz...
-2024-12-03 14:00:49,055 - INFO - Connected (version 2.0, client 0)
-2024-12-03 14:00:49,593 - INFO - Authentication (publickey) successful!
-2024-12-03 14:00:49,612 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 14:00:49,863 - INFO - [chan 0] sftp session closed.
-2024-12-03 14:00:49,864 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 14:00:49,864 - INFO - decompressing file FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz...
-2024-12-03 14:00:50,008 - INFO - this script has been running for 3.98 hours.
-2024-12-03 14:00:50,008 - INFO - ===============================================
-2024-12-03 14:00:50,008 - INFO - calculating Hamiltonian features...
-2024-12-03 14:00:50,009 - INFO - reading data from FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849
-2024-12-03 14:00:50,956 - INFO - finished reading FCIDUMP data.
-2024-12-03 14:00:50,957 - INFO - data['NORB']: 42
-2024-12-03 14:00:50,957 - INFO - len(data['H1']): 42
-2024-12-03 14:00:50,957 - INFO - ao2mo.restore...
-2024-12-03 14:00:50,962 - INFO - done.
-2024-12-03 14:00:50,962 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 14:00:50,962 - INFO - done.
-2024-12-03 14:00:50,962 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 14:06:46,763 - INFO - done.
-2024-12-03 14:06:46,764 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 14:07:02,859 - INFO - done.
-2024-12-03 14:07:02,860 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 14:07:04,310 - INFO - done.
-2024-12-03 14:07:04,310 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 14:07:04,721 - INFO - done.
-2024-12-03 14:07:04,722 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 14:07:04,723 - INFO - done.
-2024-12-03 14:07:04,723 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 14:07:04,724 - INFO - done.
-2024-12-03 14:07:04,926 - INFO - Hamiltonian features calculation run time (seconds): 374.917382
-2024-12-03 14:07:04,928 - INFO - wrote df_eigs to file: df_eigs.b0c72570-cf06-4ecc-ae64-52a65720c849.bin
-2024-12-03 14:07:04,928 - INFO - deleting file FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-03 14:07:04,932 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 14:07:04,939 - INFO - this script has been running for 4.08 hours.
-2024-12-03 14:07:04,939 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 14:07:04,940 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:07:04,940 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:07:04,940 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:07:04,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:07:04,943 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:07:04,943 - INFO - number of supporting files: 1
-2024-12-03 14:07:04,943 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 14:07:04,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 14:07:04,943 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 14:07:04,950 - INFO - number of entries in Hamiltonian_features.csv:  102
-2024-12-03 14:07:04,951 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 14:07:04,951 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 14:07:04,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:07:04,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:07:04,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:07:04,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:07:04,953 - INFO - number of orbitals:  90
-2024-12-03 14:07:04,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:07:04,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:07:04,953 - INFO - moving on ...
-2024-12-03 14:07:04,953 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 14:07:04,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:07:04,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:07:04,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:07:04,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:07:04,955 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:07:04,956 - INFO - number of supporting files: 1
-2024-12-03 14:07:04,956 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-03 14:07:04,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-03 14:07:04,956 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-03 14:07:04,962 - INFO - number of entries in Hamiltonian_features.csv:  102
-2024-12-03 14:07:04,963 - INFO - did NOT find instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db in database.
-2024-12-03 14:07:04,963 - INFO - Processing instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db ...
-2024-12-03 14:07:04,963 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz...
-2024-12-03 14:07:05,005 - INFO - Connected (version 2.0, client 0)
-2024-12-03 14:07:05,536 - INFO - Authentication (publickey) successful!
-2024-12-03 14:07:05,551 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 14:07:05,733 - INFO - [chan 0] sftp session closed.
-2024-12-03 14:07:05,733 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 14:07:05,733 - INFO - decompressing file FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz...
-2024-12-03 14:07:05,856 - INFO - this script has been running for 4.08 hours.
-2024-12-03 14:07:05,856 - INFO - ===============================================
-2024-12-03 14:07:05,856 - INFO - calculating Hamiltonian features...
-2024-12-03 14:07:05,856 - INFO - reading data from FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db
-2024-12-03 14:07:06,815 - INFO - finished reading FCIDUMP data.
-2024-12-03 14:07:06,816 - INFO - data['NORB']: 42
-2024-12-03 14:07:06,816 - INFO - len(data['H1']): 42
-2024-12-03 14:07:06,816 - INFO - ao2mo.restore...
-2024-12-03 14:07:06,820 - INFO - done.
-2024-12-03 14:07:06,821 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 14:07:06,821 - INFO - done.
-2024-12-03 14:07:06,821 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 14:12:52,070 - INFO - done.
-2024-12-03 14:12:52,070 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 14:13:08,835 - INFO - done.
-2024-12-03 14:13:08,836 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 14:13:10,274 - INFO - done.
-2024-12-03 14:13:10,274 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 14:13:10,658 - INFO - done.
-2024-12-03 14:13:10,659 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 14:13:10,659 - INFO - done.
-2024-12-03 14:13:10,659 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 14:13:10,660 - INFO - done.
-2024-12-03 14:13:10,842 - INFO - Hamiltonian features calculation run time (seconds): 364.986055
-2024-12-03 14:13:10,843 - INFO - wrote df_eigs to file: df_eigs.1a42101c-3c00-4105-8ed3-9275bf0d18db.bin
-2024-12-03 14:13:10,844 - INFO - deleting file FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-03 14:13:10,847 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 14:13:10,853 - INFO - this script has been running for 4.19 hours.
-2024-12-03 14:13:10,853 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 14:13:10,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:13:10,854 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:13:10,854 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:13:10,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:13:10,857 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:13:10,857 - INFO - number of supporting files: 1
-2024-12-03 14:13:10,857 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 14:13:10,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 14:13:10,858 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 14:13:10,865 - INFO - number of entries in Hamiltonian_features.csv:  103
-2024-12-03 14:13:10,866 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 14:13:10,866 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 14:13:10,866 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:13:10,867 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:13:10,867 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:13:10,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:13:10,870 - INFO - number of orbitals:  90
-2024-12-03 14:13:10,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:13:10,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:13:10,871 - INFO - moving on ...
-2024-12-03 14:13:10,871 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 14:13:10,871 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 14:13:10,872 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 14:13:10,872 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:13:10,872 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 14:13:10,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:13:10,874 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:13:10,874 - INFO - number of supporting files: 1
-2024-12-03 14:13:10,875 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-03 14:13:10,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-03 14:13:10,875 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-03 14:13:10,882 - INFO - number of entries in Hamiltonian_features.csv:  103
-2024-12-03 14:13:10,883 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-03 14:13:10,883 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 14:13:10,883 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 14:13:10,884 - INFO - problem_instance short name: O_1
-2024-12-03 14:13:10,884 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:13:10,884 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 14:13:10,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:13:10,886 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:13:10,886 - INFO - number of supporting files: 2
-2024-12-03 14:13:10,887 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 14:13:10,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 14:13:10,887 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 14:13:10,894 - INFO - number of entries in Hamiltonian_features.csv:  103
-2024-12-03 14:13:10,895 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 14:13:10,895 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 14:13:10,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 14:13:10,896 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:13:10,896 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 14:13:10,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:13:10,898 - INFO - number of orbitals:  79
-2024-12-03 14:13:10,898 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:13:10,899 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:13:10,899 - INFO - moving on ...
-2024-12-03 14:13:10,899 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 14:13:10,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:13:10,901 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:13:10,901 - INFO - number of supporting files: 2
-2024-12-03 14:13:10,901 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-03 14:13:10,902 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-03 14:13:10,902 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-03 14:13:10,908 - INFO - number of entries in Hamiltonian_features.csv:  103
-2024-12-03 14:13:10,909 - INFO - did NOT find instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 in database.
-2024-12-03 14:13:10,909 - INFO - Processing instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 ...
-2024-12-03 14:13:10,910 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz...
-2024-12-03 14:13:10,955 - INFO - Connected (version 2.0, client 0)
-2024-12-03 14:13:11,503 - INFO - Authentication (publickey) successful!
-2024-12-03 14:13:11,524 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 14:13:11,757 - INFO - [chan 0] sftp session closed.
-2024-12-03 14:13:11,757 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 14:13:11,757 - INFO - decompressing file fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz...
-2024-12-03 14:13:11,914 - INFO - this script has been running for 4.19 hours.
-2024-12-03 14:13:11,914 - INFO - ===============================================
-2024-12-03 14:13:11,915 - INFO - calculating Hamiltonian features...
-2024-12-03 14:13:11,915 - INFO - reading data from fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785
-2024-12-03 14:13:13,386 - INFO - finished reading FCIDUMP data.
-2024-12-03 14:13:13,386 - INFO - data['NORB']: 45
-2024-12-03 14:13:13,386 - INFO - len(data['H1']): 45
-2024-12-03 14:13:13,386 - INFO - ao2mo.restore...
-2024-12-03 14:13:13,392 - INFO - done.
-2024-12-03 14:13:13,392 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 14:13:13,392 - INFO - done.
-2024-12-03 14:13:13,392 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 14:21:35,735 - INFO - done.
-2024-12-03 14:21:35,735 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 14:22:17,047 - INFO - done.
-2024-12-03 14:22:17,047 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 14:22:21,218 - INFO - done.
-2024-12-03 14:22:21,218 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 14:22:21,871 - INFO - done.
-2024-12-03 14:22:21,872 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 14:22:21,873 - INFO - done.
-2024-12-03 14:22:21,874 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 14:22:21,875 - INFO - done.
-2024-12-03 14:22:22,287 - INFO - Hamiltonian features calculation run time (seconds): 550.372461
-2024-12-03 14:22:22,289 - INFO - wrote df_eigs to file: df_eigs.ee1c9912-bca9-42fa-a90d-421e9a26c785.bin
-2024-12-03 14:22:22,289 - INFO - deleting file fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-03 14:22:22,293 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 14:22:22,300 - INFO - this script has been running for 4.34 hours.
-2024-12-03 14:22:22,301 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-03 14:22:22,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-03 14:22:22,302 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:22:22,303 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 14:22:22,304 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 14:22:22,304 - INFO - problem_instance short name: Ti_1
-2024-12-03 14:22:22,305 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:22:22,305 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 14:22:22,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:22:22,309 - INFO - number of orbitals:  54
-2024-12-03 14:22:22,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:22:22,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:22:22,310 - INFO - moving on ...
-2024-12-03 14:22:22,311 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 14:22:22,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:22:22,314 - INFO - number of orbitals:  88
-2024-12-03 14:22:22,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:22:22,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:22:22,316 - INFO - moving on ...
-2024-12-03 14:22:22,316 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 14:22:22,317 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 14:22:22,318 - INFO - problem_instance short name: f2_0
-2024-12-03 14:22:22,318 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:22:22,319 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 14:22:22,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:22:22,321 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:22:22,321 - INFO - number of supporting files: 2
-2024-12-03 14:22:22,321 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-03 14:22:22,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-03 14:22:22,322 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-03 14:22:22,329 - INFO - number of entries in Hamiltonian_features.csv:  104
-2024-12-03 14:22:22,329 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-03 14:22:22,330 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-03 14:22:22,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-03 14:22:22,330 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:22:22,330 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 14:22:22,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:22:22,332 - INFO - number of orbitals:  110
-2024-12-03 14:22:22,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:22:22,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:22:22,333 - INFO - moving on ...
-2024-12-03 14:22:22,333 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 14:22:22,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:22:22,335 - INFO - number of orbitals:  60
-2024-12-03 14:22:22,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:22:22,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:22:22,336 - INFO - moving on ...
-2024-12-03 14:22:22,336 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 14:22:22,336 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 14:22:22,336 - INFO - problem_instance short name: li_h_0
-2024-12-03 14:22:22,336 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:22:22,337 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 14:22:22,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:22:22,338 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:22:22,339 - INFO - number of supporting files: 2
-2024-12-03 14:22:22,339 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 14:22:22,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 14:22:22,339 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 14:22:22,347 - INFO - number of entries in Hamiltonian_features.csv:  104
-2024-12-03 14:22:22,347 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 14:22:22,348 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 14:22:22,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 14:22:22,348 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:22:22,348 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 14:22:22,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:22:22,350 - INFO - number of orbitals:  85
-2024-12-03 14:22:22,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:22:22,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:22:22,351 - INFO - moving on ...
-2024-12-03 14:22:22,351 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 14:22:22,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:22:22,353 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:22:22,353 - INFO - number of supporting files: 2
-2024-12-03 14:22:22,353 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-03 14:22:22,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-03 14:22:22,354 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-03 14:22:22,361 - INFO - number of entries in Hamiltonian_features.csv:  104
-2024-12-03 14:22:22,362 - INFO - did NOT find instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b in database.
-2024-12-03 14:22:22,362 - INFO - Processing instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b ...
-2024-12-03 14:22:22,362 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz...
-2024-12-03 14:22:22,409 - INFO - Connected (version 2.0, client 0)
-2024-12-03 14:22:22,962 - INFO - Authentication (publickey) successful!
-2024-12-03 14:22:22,982 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 14:22:23,194 - INFO - [chan 0] sftp session closed.
-2024-12-03 14:22:23,194 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 14:22:23,195 - INFO - decompressing file fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz...
-2024-12-03 14:22:23,335 - INFO - this script has been running for 4.34 hours.
-2024-12-03 14:22:23,335 - INFO - ===============================================
-2024-12-03 14:22:23,335 - INFO - calculating Hamiltonian features...
-2024-12-03 14:22:23,335 - INFO - reading data from fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b
-2024-12-03 14:22:24,280 - INFO - finished reading FCIDUMP data.
-2024-12-03 14:22:24,280 - INFO - data['NORB']: 44
-2024-12-03 14:22:24,280 - INFO - len(data['H1']): 44
-2024-12-03 14:22:24,280 - INFO - ao2mo.restore...
-2024-12-03 14:22:24,285 - INFO - done.
-2024-12-03 14:22:24,285 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 14:22:24,285 - INFO - done.
-2024-12-03 14:22:24,285 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 14:28:52,964 - INFO - done.
-2024-12-03 14:28:52,964 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 14:29:23,957 - INFO - done.
-2024-12-03 14:29:23,957 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 14:29:26,830 - INFO - done.
-2024-12-03 14:29:26,831 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 14:29:27,324 - INFO - done.
-2024-12-03 14:29:27,325 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 14:29:27,325 - INFO - done.
-2024-12-03 14:29:27,326 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 14:29:27,326 - INFO - done.
-2024-12-03 14:29:27,601 - INFO - Hamiltonian features calculation run time (seconds): 424.265648
-2024-12-03 14:29:27,602 - INFO - wrote df_eigs to file: df_eigs.02d12f52-ff42-4adf-99b9-acada93cb96b.bin
-2024-12-03 14:29:27,603 - INFO - deleting file fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-03 14:29:27,605 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 14:29:27,610 - INFO - this script has been running for 4.46 hours.
-2024-12-03 14:29:27,610 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-03 14:29:27,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-03 14:29:27,611 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:29:27,611 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 14:29:27,612 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 14:29:27,612 - INFO - problem_instance short name: V_0
-2024-12-03 14:29:27,612 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,613 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 14:29:27,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,615 - INFO - number of orbitals:  54
-2024-12-03 14:29:27,615 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,616 - INFO - moving on ...
-2024-12-03 14:29:27,616 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 14:29:27,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,617 - INFO - number of orbitals:  88
-2024-12-03 14:29:27,618 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,618 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,618 - INFO - moving on ...
-2024-12-03 14:29:27,618 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 14:29:27,618 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 14:29:27,618 - INFO - problem_instance short name: FeO_0
-2024-12-03 14:29:27,618 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,619 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 14:29:27,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,620 - INFO - number of orbitals:  76
-2024-12-03 14:29:27,620 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,620 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,621 - INFO - moving on ...
-2024-12-03 14:29:27,621 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 14:29:27,621 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 14:29:27,621 - INFO - problem_instance short name: benzene
-2024-12-03 14:29:27,621 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,621 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 14:29:27,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,624 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,624 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,624 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-03 14:29:27,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-03 14:29:27,624 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-03 14:29:27,631 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,631 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,632 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 14:29:27,632 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,634 - INFO - number of orbitals:  108
-2024-12-03 14:29:27,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,635 - INFO - moving on ...
-2024-12-03 14:29:27,635 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 14:29:27,635 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 14:29:27,635 - INFO - problem_instance short name: Fe_0
-2024-12-03 14:29:27,635 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,635 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 14:29:27,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,637 - INFO - number of orbitals:  54
-2024-12-03 14:29:27,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,637 - INFO - moving on ...
-2024-12-03 14:29:27,638 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 14:29:27,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,639 - INFO - number of orbitals:  88
-2024-12-03 14:29:27,639 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,639 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,639 - INFO - moving on ...
-2024-12-03 14:29:27,640 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 14:29:27,640 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 14:29:27,640 - INFO - problem_instance short name: li_f_0
-2024-12-03 14:29:27,640 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,640 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 14:29:27,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,642 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,642 - INFO - number of supporting files: 2
-2024-12-03 14:29:27,642 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-03 14:29:27,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-03 14:29:27,642 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-03 14:29:27,649 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,649 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,649 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-03 14:29:27,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-03 14:29:27,650 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:29:27,650 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 14:29:27,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,651 - INFO - number of orbitals:  110
-2024-12-03 14:29:27,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,652 - INFO - moving on ...
-2024-12-03 14:29:27,652 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 14:29:27,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,653 - INFO - number of orbitals:  60
-2024-12-03 14:29:27,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,654 - INFO - moving on ...
-2024-12-03 14:29:27,654 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 14:29:27,654 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 14:29:27,654 - INFO - problem_instance short name: CrO_0
-2024-12-03 14:29:27,655 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,655 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 14:29:27,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,656 - INFO - number of orbitals:  76
-2024-12-03 14:29:27,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,657 - INFO - moving on ...
-2024-12-03 14:29:27,657 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 14:29:27,657 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 14:29:27,657 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 14:29:27,657 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,657 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 14:29:27,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,659 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,659 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,659 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-03 14:29:27,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-03 14:29:27,659 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-03 14:29:27,666 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,667 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,667 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 14:29:27,667 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 14:29:27,667 - INFO - problem_instance short name: n2_0
-2024-12-03 14:29:27,667 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,668 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 14:29:27,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,669 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,669 - INFO - number of supporting files: 2
-2024-12-03 14:29:27,669 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-03 14:29:27,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-03 14:29:27,670 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-03 14:29:27,676 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,677 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,677 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-03 14:29:27,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-03 14:29:27,677 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:29:27,677 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 14:29:27,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,679 - INFO - number of orbitals:  110
-2024-12-03 14:29:27,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,680 - INFO - moving on ...
-2024-12-03 14:29:27,680 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 14:29:27,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,681 - INFO - number of orbitals:  60
-2024-12-03 14:29:27,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,682 - INFO - moving on ...
-2024-12-03 14:29:27,682 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 14:29:27,682 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 14:29:27,682 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 14:29:27,682 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,682 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 14:29:27,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,684 - INFO - number of orbitals:  48
-2024-12-03 14:29:27,684 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,684 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,684 - INFO - moving on ...
-2024-12-03 14:29:27,685 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 14:29:27,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,686 - INFO - number of orbitals:  116
-2024-12-03 14:29:27,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,687 - INFO - moving on ...
-2024-12-03 14:29:27,687 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 14:29:27,687 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 14:29:27,687 - INFO - problem_instance short name: MnO_0
-2024-12-03 14:29:27,687 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,687 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 14:29:27,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,689 - INFO - number of orbitals:  76
-2024-12-03 14:29:27,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,689 - INFO - moving on ...
-2024-12-03 14:29:27,689 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 14:29:27,690 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 14:29:27,690 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 14:29:27,690 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,690 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 14:29:27,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,692 - INFO - number of orbitals:  69
-2024-12-03 14:29:27,692 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-03 14:29:27,692 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,692 - INFO - moving on ...
-2024-12-03 14:29:27,692 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 14:29:27,693 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 14:29:27,693 - INFO - problem_instance short name: Cu_1
-2024-12-03 14:29:27,693 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,693 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 14:29:27,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,695 - INFO - number of orbitals:  54
-2024-12-03 14:29:27,695 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,695 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,695 - INFO - moving on ...
-2024-12-03 14:29:27,696 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 14:29:27,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,697 - INFO - number of orbitals:  88
-2024-12-03 14:29:27,697 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,697 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,698 - INFO - moving on ...
-2024-12-03 14:29:27,698 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-03 14:29:27,698 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-03 14:29:27,699 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-03 14:29:27,699 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,699 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-03 14:29:27,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,702 - INFO - number of orbitals:  55
-2024-12-03 14:29:27,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,702 - INFO - moving on ...
-2024-12-03 14:29:27,703 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-03 14:29:27,703 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,703 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,703 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,705 - INFO - number of orbitals:  70
-2024-12-03 14:29:27,706 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,706 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,706 - INFO - moving on ...
-2024-12-03 14:29:27,706 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-03 14:29:27,706 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,706 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,707 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,709 - INFO - number of orbitals:  55
-2024-12-03 14:29:27,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,709 - INFO - moving on ...
-2024-12-03 14:29:27,709 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-03 14:29:27,709 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,710 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,710 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,712 - INFO - number of orbitals:  69
-2024-12-03 14:29:27,712 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,712 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,712 - INFO - moving on ...
-2024-12-03 14:29:27,713 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-03 14:29:27,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,713 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,713 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,715 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,715 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,715 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-03 14:29:27,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-03 14:29:27,716 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-03 14:29:27,723 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,723 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,723 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-03 14:29:27,724 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,724 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,724 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,726 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,726 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,727 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-03 14:29:27,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-03 14:29:27,727 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-03 14:29:27,734 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,734 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,734 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-03 14:29:27,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,737 - INFO - number of orbitals:  55
-2024-12-03 14:29:27,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,738 - INFO - moving on ...
-2024-12-03 14:29:27,738 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-03 14:29:27,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,738 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,738 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,740 - INFO - number of orbitals:  69
-2024-12-03 14:29:27,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,741 - INFO - moving on ...
-2024-12-03 14:29:27,741 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-03 14:29:27,741 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,741 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,742 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,744 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,744 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,744 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-03 14:29:27,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-03 14:29:27,745 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-03 14:29:27,751 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,752 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,752 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-03 14:29:27,752 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,752 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,752 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,754 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,754 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,755 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-03 14:29:27,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-03 14:29:27,755 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-03 14:29:27,761 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,762 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,762 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-03 14:29:27,762 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,765 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,765 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,765 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-03 14:29:27,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-03 14:29:27,765 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-03 14:29:27,772 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,772 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,772 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-03 14:29:27,772 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,775 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,775 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,775 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-03 14:29:27,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-03 14:29:27,775 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-03 14:29:27,782 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,782 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,782 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-03 14:29:27,783 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,783 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,783 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,785 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,785 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,785 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-03 14:29:27,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-03 14:29:27,786 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-03 14:29:27,792 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,792 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,793 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-03 14:29:27,793 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,793 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,793 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,795 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,795 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,795 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-03 14:29:27,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-03 14:29:27,796 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-03 14:29:27,802 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,803 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,803 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-03 14:29:27,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,805 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,805 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,805 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-03 14:29:27,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-03 14:29:27,806 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-03 14:29:27,813 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,813 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,813 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-03 14:29:27,813 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,816 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,816 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,816 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-03 14:29:27,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-03 14:29:27,817 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-03 14:29:27,823 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,824 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,824 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-03 14:29:27,824 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-03 14:29:27,825 - INFO - problem_instance short name: cr_dimer
-2024-12-03 14:29:27,825 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,825 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-03 14:29:27,825 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,825 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,825 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,827 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,828 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,828 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-03 14:29:27,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-03 14:29:27,828 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-03 14:29:27,835 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,835 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,835 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-03 14:29:27,835 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,836 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,836 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,838 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,838 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,838 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-03 14:29:27,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-03 14:29:27,838 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-03 14:29:27,846 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,846 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,847 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-03 14:29:27,847 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,847 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,848 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,850 - INFO - number of orbitals:  68
-2024-12-03 14:29:27,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,850 - INFO - moving on ...
-2024-12-03 14:29:27,850 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-03 14:29:27,850 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,853 - INFO - number of orbitals:  76
-2024-12-03 14:29:27,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,853 - INFO - moving on ...
-2024-12-03 14:29:27,853 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-03 14:29:27,854 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,854 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,854 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,856 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,856 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,857 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-03 14:29:27,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-03 14:29:27,857 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-03 14:29:27,864 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,864 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,864 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-03 14:29:27,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,865 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,865 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,867 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,867 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,867 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-03 14:29:27,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-03 14:29:27,868 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-03 14:29:27,874 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,875 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,875 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-03 14:29:27,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,876 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,876 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,878 - INFO - number of orbitals:  68
-2024-12-03 14:29:27,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,878 - INFO - moving on ...
-2024-12-03 14:29:27,878 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-03 14:29:27,879 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,879 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,879 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,881 - INFO - number of orbitals:  76
-2024-12-03 14:29:27,881 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,882 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,882 - INFO - moving on ...
-2024-12-03 14:29:27,882 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-03 14:29:27,882 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,882 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,882 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,885 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,885 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,885 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-03 14:29:27,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-03 14:29:27,885 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-03 14:29:27,892 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,892 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,893 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-03 14:29:27,893 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,893 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,893 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,895 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,895 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,895 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-03 14:29:27,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-03 14:29:27,896 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-03 14:29:27,903 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,903 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,903 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-03 14:29:27,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,906 - INFO - number of orbitals:  68
-2024-12-03 14:29:27,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,907 - INFO - moving on ...
-2024-12-03 14:29:27,907 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-03 14:29:27,907 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:29:27,908 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:29:27,908 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:29:27,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,911 - INFO - number of orbitals:  76
-2024-12-03 14:29:27,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,912 - INFO - moving on ...
-2024-12-03 14:29:27,912 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 14:29:27,912 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 14:29:27,912 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 14:29:27,912 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,913 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 14:29:27,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,914 - INFO - number of orbitals:  66
-2024-12-03 14:29:27,914 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,915 - INFO - moving on ...
-2024-12-03 14:29:27,915 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 14:29:27,915 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 14:29:27,915 - INFO - problem_instance short name: ScO_0
-2024-12-03 14:29:27,915 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,916 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 14:29:27,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,917 - INFO - number of orbitals:  76
-2024-12-03 14:29:27,917 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,917 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,918 - INFO - moving on ...
-2024-12-03 14:29:27,918 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-03 14:29:27,918 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-03 14:29:27,918 - INFO - problem_instance short name: planted_solution_0009
-2024-12-03 14:29:27,918 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,918 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-03 14:29:27,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,920 - INFO - number of orbitals:  69
-2024-12-03 14:29:27,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,920 - INFO - moving on ...
-2024-12-03 14:29:27,921 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 14:29:27,921 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 14:29:27,921 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 14:29:27,921 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,921 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 14:29:27,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,923 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,923 - INFO - number of supporting files: 2
-2024-12-03 14:29:27,923 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-03 14:29:27,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-03 14:29:27,924 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-03 14:29:27,930 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,931 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,931 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-03 14:29:27,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-03 14:29:27,931 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:29:27,931 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 14:29:27,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,933 - INFO - number of orbitals:  88
-2024-12-03 14:29:27,933 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,933 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,933 - INFO - moving on ...
-2024-12-03 14:29:27,933 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 14:29:27,934 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 14:29:27,934 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 14:29:27,934 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,934 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 14:29:27,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,936 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,936 - INFO - number of supporting files: 2
-2024-12-03 14:29:27,936 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-03 14:29:27,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-03 14:29:27,936 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-03 14:29:27,943 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,943 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,943 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-03 14:29:27,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-03 14:29:27,944 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:29:27,944 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 14:29:27,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,945 - INFO - number of orbitals:  88
-2024-12-03 14:29:27,946 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,946 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,946 - INFO - moving on ...
-2024-12-03 14:29:27,946 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 14:29:27,946 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 14:29:27,947 - INFO - problem_instance short name: be_0
-2024-12-03 14:29:27,947 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,947 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 14:29:27,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,948 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,948 - INFO - number of supporting files: 2
-2024-12-03 14:29:27,949 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 14:29:27,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 14:29:27,949 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 14:29:27,955 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,955 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,956 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 14:29:27,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 14:29:27,956 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:29:27,956 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 14:29:27,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,957 - INFO - number of orbitals:  55
-2024-12-03 14:29:27,958 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,958 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,958 - INFO - moving on ...
-2024-12-03 14:29:27,958 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 14:29:27,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,960 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,960 - INFO - number of supporting files: 2
-2024-12-03 14:29:27,960 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-03 14:29:27,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-03 14:29:27,960 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-03 14:29:27,967 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,967 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,967 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-03 14:29:27,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-03 14:29:27,967 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:29:27,968 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 14:29:27,968 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 14:29:27,968 - INFO - problem_instance short name: n_h3_0
-2024-12-03 14:29:27,968 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,968 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 14:29:27,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,970 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,970 - INFO - number of supporting files: 2
-2024-12-03 14:29:27,970 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-03 14:29:27,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-03 14:29:27,970 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-03 14:29:27,977 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,978 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,978 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-03 14:29:27,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-03 14:29:27,978 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:29:27,978 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 14:29:27,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,980 - INFO - number of orbitals:  72
-2024-12-03 14:29:27,980 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:29:27,980 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:29:27,981 - INFO - moving on ...
-2024-12-03 14:29:27,981 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 14:29:27,981 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 14:29:27,981 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 14:29:27,981 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,981 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 14:29:27,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,983 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,983 - INFO - number of supporting files: 1
-2024-12-03 14:29:27,983 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 14:29:27,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 14:29:27,984 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 14:29:27,991 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:27,991 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 14:29:27,991 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 14:29:27,992 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 14:29:27,992 - INFO - problem_instance short name: s_o2_0
-2024-12-03 14:29:27,992 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 14:29:27,992 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 14:29:27,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:29:27,994 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:29:27,994 - INFO - number of supporting files: 2
-2024-12-03 14:29:27,994 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-03 14:29:27,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-03 14:29:27,995 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-03 14:29:28,001 - INFO - number of entries in Hamiltonian_features.csv:  105
-2024-12-03 14:29:28,002 - INFO - did NOT find instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c in database.
-2024-12-03 14:29:28,002 - INFO - Processing instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c ...
-2024-12-03 14:29:28,002 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz...
-2024-12-03 14:29:28,048 - INFO - Connected (version 2.0, client 0)
-2024-12-03 14:29:28,613 - INFO - Authentication (publickey) successful!
-2024-12-03 14:29:28,641 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 14:29:29,090 - INFO - [chan 0] sftp session closed.
-2024-12-03 14:29:29,091 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 14:29:29,091 - INFO - decompressing file fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz...
-2024-12-03 14:29:29,319 - INFO - this script has been running for 4.46 hours.
-2024-12-03 14:29:29,319 - INFO - ===============================================
-2024-12-03 14:29:29,319 - INFO - calculating Hamiltonian features...
-2024-12-03 14:29:29,320 - INFO - reading data from fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c
-2024-12-03 14:29:31,220 - INFO - finished reading FCIDUMP data.
-2024-12-03 14:29:31,220 - INFO - data['NORB']: 46
-2024-12-03 14:29:31,220 - INFO - len(data['H1']): 46
-2024-12-03 14:29:31,220 - INFO - ao2mo.restore...
-2024-12-03 14:29:31,226 - INFO - done.
-2024-12-03 14:29:31,227 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 14:29:31,227 - INFO - done.
-2024-12-03 14:29:31,227 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 14:40:41,365 - INFO - done.
-2024-12-03 14:40:41,366 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 14:41:04,941 - INFO - done.
-2024-12-03 14:41:04,941 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 14:41:07,260 - INFO - done.
-2024-12-03 14:41:07,261 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 14:41:07,978 - INFO - done.
-2024-12-03 14:41:07,979 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 14:41:07,980 - INFO - done.
-2024-12-03 14:41:07,981 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 14:41:07,981 - INFO - done.
-2024-12-03 14:41:08,299 - INFO - Hamiltonian features calculation run time (seconds): 698.979481
-2024-12-03 14:41:08,300 - INFO - wrote df_eigs to file: df_eigs.42f8e26e-4707-41e4-8b0a-c099a8a4145c.bin
-2024-12-03 14:41:08,301 - INFO - deleting file fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-03 14:41:08,307 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 14:41:08,312 - INFO - this script has been running for 4.65 hours.
-2024-12-03 14:41:08,312 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-03 14:41:08,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-03 14:41:08,313 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 14:41:08,313 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 14:41:08,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:41:08,316 - INFO - number of orbitals:  94
-2024-12-03 14:41:08,316 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 14:41:08,316 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 14:41:08,317 - INFO - moving on ...
-2024-12-03 14:41:08,317 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 14:41:08,318 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 14:41:08,318 - INFO - problem_instance short name: mo_n2
-2024-12-03 14:41:08,318 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 14:41:08,319 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 14:41:08,319 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:41:08,320 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:41:08,320 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:41:08,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:41:08,323 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:41:08,323 - INFO - number of supporting files: 1
-2024-12-03 14:41:08,323 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-03 14:41:08,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-03 14:41:08,324 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-03 14:41:08,331 - INFO - number of entries in Hamiltonian_features.csv:  106
-2024-12-03 14:41:08,332 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-03 14:41:08,333 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 14:41:08,333 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 14:41:08,333 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 14:41:08,334 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 14:41:08,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 14:41:08,336 - INFO - attempting to process the Hamiltonian...
-2024-12-03 14:41:08,337 - INFO - number of supporting files: 1
-2024-12-03 14:41:08,337 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-03 14:41:08,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-03 14:41:08,338 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-03 14:41:08,345 - INFO - number of entries in Hamiltonian_features.csv:  106
-2024-12-03 14:41:08,346 - INFO - did NOT find instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 in database.
-2024-12-03 14:41:08,346 - INFO - Processing instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 ...
-2024-12-03 14:41:08,347 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz...
-2024-12-03 14:41:08,394 - INFO - Connected (version 2.0, client 0)
-2024-12-03 14:41:08,924 - INFO - Authentication (publickey) successful!
-2024-12-03 14:41:08,944 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 14:41:09,303 - INFO - [chan 0] sftp session closed.
-2024-12-03 14:41:09,304 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 14:41:09,304 - INFO - decompressing file fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz...
-2024-12-03 14:41:09,525 - INFO - this script has been running for 4.65 hours.
-2024-12-03 14:41:09,525 - INFO - ===============================================
-2024-12-03 14:41:09,526 - INFO - calculating Hamiltonian features...
-2024-12-03 14:41:09,526 - INFO - reading data from fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7
-2024-12-03 14:41:10,901 - INFO - finished reading FCIDUMP data.
-2024-12-03 14:41:10,902 - INFO - data['NORB']: 46
-2024-12-03 14:41:10,902 - INFO - len(data['H1']): 46
-2024-12-03 14:41:10,902 - INFO - ao2mo.restore...
-2024-12-03 14:41:10,909 - INFO - done.
-2024-12-03 14:41:10,909 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 14:41:10,909 - INFO - done.
-2024-12-03 14:41:10,909 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 14:59:59,316 - INFO - done.
-2024-12-03 14:59:59,317 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 15:01:34,879 - INFO - done.
-2024-12-03 15:01:34,879 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 15:01:44,556 - INFO - done.
-2024-12-03 15:01:44,556 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 15:01:45,383 - INFO - done.
-2024-12-03 15:01:45,384 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 15:01:45,385 - INFO - done.
-2024-12-03 15:01:45,386 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 15:01:45,386 - INFO - done.
-2024-12-03 15:01:46,268 - INFO - Hamiltonian features calculation run time (seconds): 1236.741664
-2024-12-03 15:01:46,270 - INFO - wrote df_eigs to file: df_eigs.e10bd99a-435c-41cd-84f1-41bd67890fc7.bin
-2024-12-03 15:01:46,270 - INFO - deleting file fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-03 15:01:46,274 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 15:01:46,281 - INFO - this script has been running for 5.00 hours.
-2024-12-03 15:01:46,282 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 15:01:46,282 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:01:46,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:01:46,283 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:01:46,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:01:46,286 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:01:46,287 - INFO - number of supporting files: 1
-2024-12-03 15:01:46,287 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-03 15:01:46,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-03 15:01:46,288 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-03 15:01:46,295 - INFO - number of entries in Hamiltonian_features.csv:  107
-2024-12-03 15:01:46,296 - INFO - did NOT find instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e in database.
-2024-12-03 15:01:46,296 - INFO - Processing instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e ...
-2024-12-03 15:01:46,296 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz...
-2024-12-03 15:01:46,338 - INFO - Connected (version 2.0, client 0)
-2024-12-03 15:01:46,922 - INFO - Authentication (publickey) successful!
-2024-12-03 15:01:46,940 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 15:01:47,486 - INFO - [chan 0] sftp session closed.
-2024-12-03 15:01:47,487 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 15:01:47,487 - INFO - decompressing file fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz...
-2024-12-03 15:01:47,662 - INFO - this script has been running for 5.00 hours.
-2024-12-03 15:01:47,662 - INFO - ===============================================
-2024-12-03 15:01:47,662 - INFO - calculating Hamiltonian features...
-2024-12-03 15:01:47,662 - INFO - reading data from fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e
-2024-12-03 15:01:49,037 - INFO - finished reading FCIDUMP data.
-2024-12-03 15:01:49,037 - INFO - data['NORB']: 46
-2024-12-03 15:01:49,037 - INFO - len(data['H1']): 46
-2024-12-03 15:01:49,037 - INFO - ao2mo.restore...
-2024-12-03 15:01:49,046 - INFO - done.
-2024-12-03 15:01:49,046 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 15:01:49,046 - INFO - done.
-2024-12-03 15:01:49,046 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 15:20:01,523 - INFO - done.
-2024-12-03 15:20:01,524 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 15:21:33,276 - INFO - done.
-2024-12-03 15:21:33,277 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 15:21:42,811 - INFO - done.
-2024-12-03 15:21:42,811 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 15:21:43,585 - INFO - done.
-2024-12-03 15:21:43,586 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 15:21:43,588 - INFO - done.
-2024-12-03 15:21:43,588 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 15:21:43,589 - INFO - done.
-2024-12-03 15:21:44,540 - INFO - Hamiltonian features calculation run time (seconds): 1196.877845
-2024-12-03 15:21:44,543 - INFO - wrote df_eigs to file: df_eigs.b71baf3c-d5f0-4f8d-aead-648ba69a058e.bin
-2024-12-03 15:21:44,543 - INFO - deleting file fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-03 15:21:44,548 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 15:21:44,556 - INFO - this script has been running for 5.33 hours.
-2024-12-03 15:21:44,556 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 15:21:44,557 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,558 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,561 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,562 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,562 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-03 15:21:44,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-03 15:21:44,563 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-03 15:21:44,572 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,572 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,572 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 15:21:44,572 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 15:21:44,572 - INFO - problem_instance short name: li2_0
-2024-12-03 15:21:44,572 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,572 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 15:21:44,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,574 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,574 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,574 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-03 15:21:44,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-03 15:21:44,574 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-03 15:21:44,582 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,582 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,582 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-03 15:21:44,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-03 15:21:44,582 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,582 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 15:21:44,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,584 - INFO - number of orbitals:  110
-2024-12-03 15:21:44,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,584 - INFO - moving on ...
-2024-12-03 15:21:44,584 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 15:21:44,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,585 - INFO - number of orbitals:  60
-2024-12-03 15:21:44,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,586 - INFO - moving on ...
-2024-12-03 15:21:44,586 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 15:21:44,586 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 15:21:44,586 - INFO - problem_instance short name: ru_macho
-2024-12-03 15:21:44,586 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,586 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 15:21:44,586 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,586 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,586 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,588 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,588 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,588 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 15:21:44,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 15:21:44,588 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 15:21:44,595 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,595 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,595 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 15:21:44,596 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,596 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,596 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,598 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,598 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,598 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 15:21:44,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 15:21:44,598 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 15:21:44,605 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,605 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,605 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 15:21:44,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,605 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,605 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,607 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,607 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,607 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 15:21:44,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 15:21:44,608 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 15:21:44,615 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,615 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,615 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 15:21:44,615 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,615 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,615 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,617 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,617 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,617 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 15:21:44,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 15:21:44,617 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 15:21:44,624 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,625 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,625 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 15:21:44,625 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,625 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,625 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,627 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,627 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,627 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-03 15:21:44,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-03 15:21:44,627 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-03 15:21:44,634 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,634 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,635 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 15:21:44,635 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,635 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,635 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,637 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,637 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,637 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 15:21:44,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 15:21:44,637 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 15:21:44,644 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,644 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,644 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 15:21:44,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,647 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,647 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,647 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-03 15:21:44,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-03 15:21:44,647 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-03 15:21:44,654 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,654 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,654 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 15:21:44,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,657 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,657 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,657 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 15:21:44,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 15:21:44,657 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 15:21:44,664 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,664 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,664 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 15:21:44,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,666 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,666 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,667 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-03 15:21:44,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-03 15:21:44,667 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-03 15:21:44,674 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,674 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,674 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 15:21:44,674 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 15:21:44,674 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 15:21:44,674 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,674 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 15:21:44,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,676 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,676 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,676 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-03 15:21:44,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-03 15:21:44,676 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-03 15:21:44,683 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,684 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,684 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-03 15:21:44,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-03 15:21:44,684 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,684 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 15:21:44,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,685 - INFO - number of orbitals:  119
-2024-12-03 15:21:44,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,686 - INFO - moving on ...
-2024-12-03 15:21:44,686 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 15:21:44,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,687 - INFO - number of orbitals:  62
-2024-12-03 15:21:44,687 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,687 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,687 - INFO - moving on ...
-2024-12-03 15:21:44,687 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 15:21:44,687 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 15:21:44,687 - INFO - problem_instance short name: Cr_0
-2024-12-03 15:21:44,687 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,687 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 15:21:44,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,689 - INFO - number of orbitals:  54
-2024-12-03 15:21:44,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,689 - INFO - moving on ...
-2024-12-03 15:21:44,689 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 15:21:44,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,690 - INFO - number of orbitals:  88
-2024-12-03 15:21:44,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,691 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,691 - INFO - moving on ...
-2024-12-03 15:21:44,691 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 15:21:44,691 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 15:21:44,691 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 15:21:44,691 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,691 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 15:21:44,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,692 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,692 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,692 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-03 15:21:44,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-03 15:21:44,692 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-03 15:21:44,700 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,700 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,700 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-03 15:21:44,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-03 15:21:44,700 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,700 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 15:21:44,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,702 - INFO - number of orbitals:  74
-2024-12-03 15:21:44,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,702 - INFO - moving on ...
-2024-12-03 15:21:44,702 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 15:21:44,702 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 15:21:44,702 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 15:21:44,702 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,702 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 15:21:44,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,704 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,704 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,704 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 15:21:44,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 15:21:44,704 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 15:21:44,711 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,712 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,712 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-03 15:21:44,712 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-03 15:21:44,712 - INFO - problem_instance short name: c_h4_0
-2024-12-03 15:21:44,712 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,712 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-03 15:21:44,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,714 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,714 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,714 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-03 15:21:44,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-03 15:21:44,714 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-03 15:21:44,721 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,721 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,721 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-03 15:21:44,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-03 15:21:44,721 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,721 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-03 15:21:44,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,723 - INFO - number of orbitals:  86
-2024-12-03 15:21:44,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,723 - INFO - moving on ...
-2024-12-03 15:21:44,723 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-03 15:21:44,723 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-03 15:21:44,723 - INFO - problem_instance short name: Fe_1
-2024-12-03 15:21:44,723 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,723 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-03 15:21:44,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,725 - INFO - number of orbitals:  54
-2024-12-03 15:21:44,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,725 - INFO - moving on ...
-2024-12-03 15:21:44,725 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-03 15:21:44,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,726 - INFO - number of orbitals:  88
-2024-12-03 15:21:44,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,726 - INFO - moving on ...
-2024-12-03 15:21:44,726 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 15:21:44,726 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 15:21:44,726 - INFO - problem_instance short name: MnO_0
-2024-12-03 15:21:44,726 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,726 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 15:21:44,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,728 - INFO - number of orbitals:  76
-2024-12-03 15:21:44,728 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,728 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,728 - INFO - moving on ...
-2024-12-03 15:21:44,728 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 15:21:44,728 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 15:21:44,728 - INFO - problem_instance short name: si_h4_0
-2024-12-03 15:21:44,728 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,728 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 15:21:44,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,729 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,729 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,729 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-03 15:21:44,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-03 15:21:44,729 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-03 15:21:44,736 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,737 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,737 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-03 15:21:44,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-03 15:21:44,737 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,737 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 15:21:44,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,739 - INFO - number of orbitals:  90
-2024-12-03 15:21:44,739 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,739 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,739 - INFO - moving on ...
-2024-12-03 15:21:44,739 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 15:21:44,739 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 15:21:44,739 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 15:21:44,739 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,739 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 15:21:44,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,741 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,741 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,741 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-03 15:21:44,741 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-03 15:21:44,741 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-03 15:21:44,748 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,748 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,748 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 15:21:44,748 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 15:21:44,748 - INFO - problem_instance short name: h_f_0
-2024-12-03 15:21:44,748 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,748 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 15:21:44,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,750 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,750 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,750 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 15:21:44,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 15:21:44,750 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 15:21:44,757 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,757 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,758 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 15:21:44,758 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 15:21:44,758 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,758 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 15:21:44,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,759 - INFO - number of orbitals:  85
-2024-12-03 15:21:44,759 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,759 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,760 - INFO - moving on ...
-2024-12-03 15:21:44,760 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 15:21:44,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,761 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,761 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,761 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-03 15:21:44,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-03 15:21:44,761 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-03 15:21:44,768 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,769 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,769 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-03 15:21:44,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-03 15:21:44,769 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,769 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 15:21:44,769 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 15:21:44,769 - INFO - problem_instance short name: benzene
-2024-12-03 15:21:44,769 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,769 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 15:21:44,769 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,770 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,770 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,772 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,772 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,772 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-03 15:21:44,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-03 15:21:44,772 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-03 15:21:44,779 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,779 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,779 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 15:21:44,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,780 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,780 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,782 - INFO - number of orbitals:  108
-2024-12-03 15:21:44,782 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,782 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,782 - INFO - moving on ...
-2024-12-03 15:21:44,782 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 15:21:44,782 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 15:21:44,782 - INFO - problem_instance short name: Fe_0
-2024-12-03 15:21:44,782 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,782 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 15:21:44,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,783 - INFO - number of orbitals:  54
-2024-12-03 15:21:44,784 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,784 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,784 - INFO - moving on ...
-2024-12-03 15:21:44,784 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 15:21:44,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,785 - INFO - number of orbitals:  88
-2024-12-03 15:21:44,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,785 - INFO - moving on ...
-2024-12-03 15:21:44,785 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 15:21:44,785 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 15:21:44,786 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 15:21:44,786 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,786 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 15:21:44,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,787 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,787 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,787 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-03 15:21:44,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-03 15:21:44,787 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-03 15:21:44,795 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,796 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,796 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 15:21:44,796 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 15:21:44,796 - INFO - problem_instance short name: mn_mono
-2024-12-03 15:21:44,796 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,796 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 15:21:44,796 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,796 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,796 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,798 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,798 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,799 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 15:21:44,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 15:21:44,799 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 15:21:44,806 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,806 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,806 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 15:21:44,806 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,806 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,806 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,808 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,809 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,809 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-03 15:21:44,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-03 15:21:44,809 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-03 15:21:44,816 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,817 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,817 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 15:21:44,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,817 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,817 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,819 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,820 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,820 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 15:21:44,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 15:21:44,820 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 15:21:44,827 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,828 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,828 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 15:21:44,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,830 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,830 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,830 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-03 15:21:44,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-03 15:21:44,830 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-03 15:21:44,837 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,838 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,838 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 15:21:44,838 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,838 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,838 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,840 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,840 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,840 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 15:21:44,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 15:21:44,840 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 15:21:44,847 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,848 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,848 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 15:21:44,848 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,848 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,848 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,850 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,850 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,850 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-03 15:21:44,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-03 15:21:44,851 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-03 15:21:44,860 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,860 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,860 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 15:21:44,861 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,861 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,861 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,864 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,864 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,864 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 15:21:44,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 15:21:44,864 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 15:21:44,873 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,873 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,873 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 15:21:44,874 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:21:44,874 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:21:44,874 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:21:44,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,876 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,876 - INFO - number of supporting files: 1
-2024-12-03 15:21:44,876 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-03 15:21:44,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-03 15:21:44,876 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-03 15:21:44,884 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,885 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,885 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 15:21:44,885 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 15:21:44,885 - INFO - problem_instance short name: c_o_0
-2024-12-03 15:21:44,885 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,885 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 15:21:44,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,887 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,887 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,887 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-03 15:21:44,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-03 15:21:44,887 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-03 15:21:44,894 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,894 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,894 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-03 15:21:44,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-03 15:21:44,894 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,894 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 15:21:44,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,896 - INFO - number of orbitals:  110
-2024-12-03 15:21:44,896 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,896 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,896 - INFO - moving on ...
-2024-12-03 15:21:44,896 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 15:21:44,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,897 - INFO - number of orbitals:  60
-2024-12-03 15:21:44,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,897 - INFO - moving on ...
-2024-12-03 15:21:44,897 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 15:21:44,898 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 15:21:44,898 - INFO - problem_instance short name: si_o_0
-2024-12-03 15:21:44,898 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,898 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 15:21:44,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,899 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,899 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,899 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-03 15:21:44,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-03 15:21:44,899 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-03 15:21:44,906 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,906 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,907 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-03 15:21:44,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-03 15:21:44,907 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,907 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 15:21:44,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,908 - INFO - number of orbitals:  114
-2024-12-03 15:21:44,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,908 - INFO - moving on ...
-2024-12-03 15:21:44,908 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 15:21:44,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,910 - INFO - number of orbitals:  64
-2024-12-03 15:21:44,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,910 - INFO - moving on ...
-2024-12-03 15:21:44,910 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 15:21:44,910 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 15:21:44,910 - INFO - problem_instance short name: p2_0
-2024-12-03 15:21:44,910 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,910 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 15:21:44,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,911 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,912 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,912 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-03 15:21:44,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-03 15:21:44,912 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-03 15:21:44,919 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,919 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,919 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-03 15:21:44,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-03 15:21:44,919 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,919 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 15:21:44,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,921 - INFO - number of orbitals:  118
-2024-12-03 15:21:44,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,921 - INFO - moving on ...
-2024-12-03 15:21:44,921 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 15:21:44,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,922 - INFO - number of orbitals:  68
-2024-12-03 15:21:44,922 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,922 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,922 - INFO - moving on ...
-2024-12-03 15:21:44,922 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 15:21:44,923 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 15:21:44,923 - INFO - problem_instance short name: h2_o_0
-2024-12-03 15:21:44,923 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,923 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 15:21:44,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,924 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,924 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,924 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 15:21:44,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 15:21:44,924 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 15:21:44,931 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,931 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 15:21:44,932 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 15:21:44,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 15:21:44,932 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:21:44,932 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 15:21:44,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,933 - INFO - number of orbitals:  115
-2024-12-03 15:21:44,933 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,933 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,933 - INFO - moving on ...
-2024-12-03 15:21:44,933 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 15:21:44,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,935 - INFO - number of orbitals:  58
-2024-12-03 15:21:44,935 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:21:44,935 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:21:44,935 - INFO - moving on ...
-2024-12-03 15:21:44,935 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 15:21:44,935 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 15:21:44,935 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 15:21:44,935 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:21:44,935 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 15:21:44,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:21:44,936 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:21:44,936 - INFO - number of supporting files: 2
-2024-12-03 15:21:44,936 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-03 15:21:44,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-03 15:21:44,936 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-03 15:21:44,943 - INFO - number of entries in Hamiltonian_features.csv:  108
-2024-12-03 15:21:44,944 - INFO - did NOT find instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e in database.
-2024-12-03 15:21:44,944 - INFO - Processing instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e ...
-2024-12-03 15:21:44,944 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz...
-2024-12-03 15:21:44,990 - INFO - Connected (version 2.0, client 0)
-2024-12-03 15:21:45,570 - INFO - Authentication (publickey) successful!
-2024-12-03 15:21:45,598 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 15:21:46,043 - INFO - [chan 0] sftp session closed.
-2024-12-03 15:21:46,044 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 15:21:46,045 - INFO - decompressing file fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz...
-2024-12-03 15:21:46,332 - INFO - this script has been running for 5.33 hours.
-2024-12-03 15:21:46,332 - INFO - ===============================================
-2024-12-03 15:21:46,332 - INFO - calculating Hamiltonian features...
-2024-12-03 15:21:46,332 - INFO - reading data from fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e
-2024-12-03 15:21:48,272 - INFO - finished reading FCIDUMP data.
-2024-12-03 15:21:48,272 - INFO - data['NORB']: 48
-2024-12-03 15:21:48,272 - INFO - len(data['H1']): 48
-2024-12-03 15:21:48,273 - INFO - ao2mo.restore...
-2024-12-03 15:21:48,282 - INFO - done.
-2024-12-03 15:21:48,282 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 15:21:48,282 - INFO - done.
-2024-12-03 15:21:48,282 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 15:34:19,534 - INFO - done.
-2024-12-03 15:34:19,535 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 15:35:16,847 - INFO - done.
-2024-12-03 15:35:16,847 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 15:35:22,945 - INFO - done.
-2024-12-03 15:35:22,945 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 15:35:23,867 - INFO - done.
-2024-12-03 15:35:23,868 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 15:35:23,869 - INFO - done.
-2024-12-03 15:35:23,869 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 15:35:23,870 - INFO - done.
-2024-12-03 15:35:24,406 - INFO - Hamiltonian features calculation run time (seconds): 818.073975
-2024-12-03 15:35:24,408 - INFO - wrote df_eigs to file: df_eigs.26a32758-4c43-4add-a12e-7273b2ddfd0e.bin
-2024-12-03 15:35:24,409 - INFO - deleting file fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-03 15:35:24,413 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 15:35:24,420 - INFO - this script has been running for 5.56 hours.
-2024-12-03 15:35:24,421 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-03 15:35:24,421 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-03 15:35:24,422 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,422 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 15:35:24,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,425 - INFO - number of orbitals:  116
-2024-12-03 15:35:24,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,427 - INFO - moving on ...
-2024-12-03 15:35:24,428 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 15:35:24,428 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 15:35:24,429 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 15:35:24,429 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,430 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 15:35:24,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,433 - INFO - number of orbitals:  70
-2024-12-03 15:35:24,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,435 - INFO - moving on ...
-2024-12-03 15:35:24,435 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 15:35:24,436 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 15:35:24,436 - INFO - problem_instance short name: CuO_0
-2024-12-03 15:35:24,437 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,437 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 15:35:24,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,440 - INFO - number of orbitals:  76
-2024-12-03 15:35:24,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,440 - INFO - moving on ...
-2024-12-03 15:35:24,440 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 15:35:24,440 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 15:35:24,440 - INFO - problem_instance short name: c_o2_0
-2024-12-03 15:35:24,440 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,440 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 15:35:24,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,442 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,442 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,442 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-03 15:35:24,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-03 15:35:24,442 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-03 15:35:24,451 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,451 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,451 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-03 15:35:24,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-03 15:35:24,452 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,452 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 15:35:24,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,454 - INFO - number of orbitals:  90
-2024-12-03 15:35:24,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,454 - INFO - moving on ...
-2024-12-03 15:35:24,454 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 15:35:24,454 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 15:35:24,454 - INFO - problem_instance short name: f2_0
-2024-12-03 15:35:24,454 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,454 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 15:35:24,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,456 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,457 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,457 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-03 15:35:24,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-03 15:35:24,457 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-03 15:35:24,465 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,466 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,466 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-03 15:35:24,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-03 15:35:24,466 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,466 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 15:35:24,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,467 - INFO - number of orbitals:  110
-2024-12-03 15:35:24,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,468 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,468 - INFO - moving on ...
-2024-12-03 15:35:24,468 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 15:35:24,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,469 - INFO - number of orbitals:  60
-2024-12-03 15:35:24,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,469 - INFO - moving on ...
-2024-12-03 15:35:24,469 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 15:35:24,469 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 15:35:24,469 - INFO - problem_instance short name: Mn_0
-2024-12-03 15:35:24,469 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,470 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 15:35:24,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,471 - INFO - number of orbitals:  54
-2024-12-03 15:35:24,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,471 - INFO - moving on ...
-2024-12-03 15:35:24,471 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 15:35:24,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,472 - INFO - number of orbitals:  88
-2024-12-03 15:35:24,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,472 - INFO - moving on ...
-2024-12-03 15:35:24,472 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-03 15:35:24,472 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-03 15:35:24,473 - INFO - problem_instance short name: h2_s_0
-2024-12-03 15:35:24,473 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,473 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-03 15:35:24,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,474 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,474 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,474 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-03 15:35:24,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-03 15:35:24,474 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-03 15:35:24,481 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,481 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,481 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-03 15:35:24,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-03 15:35:24,481 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,481 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-03 15:35:24,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,483 - INFO - number of orbitals:  119
-2024-12-03 15:35:24,483 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,483 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,483 - INFO - moving on ...
-2024-12-03 15:35:24,483 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-03 15:35:24,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,484 - INFO - number of orbitals:  62
-2024-12-03 15:35:24,484 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,484 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,484 - INFO - moving on ...
-2024-12-03 15:35:24,484 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-03 15:35:24,484 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-03 15:35:24,484 - INFO - problem_instance short name: VO_0
-2024-12-03 15:35:24,484 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,484 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-03 15:35:24,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,485 - INFO - number of orbitals:  76
-2024-12-03 15:35:24,486 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,486 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,486 - INFO - moving on ...
-2024-12-03 15:35:24,486 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 15:35:24,486 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 15:35:24,486 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 15:35:24,486 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,486 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 15:35:24,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,487 - INFO - number of orbitals:  69
-2024-12-03 15:35:24,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,487 - INFO - moving on ...
-2024-12-03 15:35:24,487 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 15:35:24,487 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 15:35:24,487 - INFO - problem_instance short name: V_1
-2024-12-03 15:35:24,487 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,487 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 15:35:24,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,489 - INFO - number of orbitals:  54
-2024-12-03 15:35:24,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,489 - INFO - moving on ...
-2024-12-03 15:35:24,489 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-03 15:35:24,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,490 - INFO - number of orbitals:  88
-2024-12-03 15:35:24,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,490 - INFO - moving on ...
-2024-12-03 15:35:24,490 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 15:35:24,490 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 15:35:24,490 - INFO - problem_instance short name: ozone
-2024-12-03 15:35:24,490 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,490 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 15:35:24,490 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,492 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,492 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,492 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-03 15:35:24,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-03 15:35:24,492 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-03 15:35:24,499 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,500 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,500 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 15:35:24,500 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,500 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,500 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,502 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,502 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,502 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 15:35:24,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 15:35:24,502 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 15:35:24,509 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,509 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,509 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 15:35:24,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,510 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,510 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,511 - INFO - number of orbitals:  90
-2024-12-03 15:35:24,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,512 - INFO - moving on ...
-2024-12-03 15:35:24,512 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 15:35:24,512 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,512 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,512 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,514 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,514 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,514 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-03 15:35:24,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-03 15:35:24,514 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-03 15:35:24,521 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,521 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,521 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 15:35:24,521 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,521 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,521 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,523 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,523 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,523 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 15:35:24,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 15:35:24,523 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 15:35:24,530 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,530 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,531 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 15:35:24,531 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,531 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,531 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,533 - INFO - number of orbitals:  90
-2024-12-03 15:35:24,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,533 - INFO - moving on ...
-2024-12-03 15:35:24,533 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-03 15:35:24,533 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-03 15:35:24,533 - INFO - problem_instance short name: TiO_0
-2024-12-03 15:35:24,533 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,533 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-03 15:35:24,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,534 - INFO - number of orbitals:  76
-2024-12-03 15:35:24,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,534 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,534 - INFO - moving on ...
-2024-12-03 15:35:24,535 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 15:35:24,535 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 15:35:24,535 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 15:35:24,535 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,535 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 15:35:24,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,536 - INFO - number of orbitals:  58
-2024-12-03 15:35:24,536 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,536 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,536 - INFO - moving on ...
-2024-12-03 15:35:24,536 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 15:35:24,536 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 15:35:24,536 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 15:35:24,536 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,536 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 15:35:24,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,538 - INFO - number of orbitals:  52
-2024-12-03 15:35:24,538 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,538 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,538 - INFO - moving on ...
-2024-12-03 15:35:24,538 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 15:35:24,538 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 15:35:24,538 - INFO - problem_instance short name: fe_red
-2024-12-03 15:35:24,538 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,538 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 15:35:24,538 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,538 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,538 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,540 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,540 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,540 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-03 15:35:24,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-03 15:35:24,540 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-03 15:35:24,547 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,548 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,548 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 15:35:24,548 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,548 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,548 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,550 - INFO - number of orbitals:  53
-2024-12-03 15:35:24,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,550 - INFO - moving on ...
-2024-12-03 15:35:24,550 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 15:35:24,550 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,552 - INFO - number of orbitals:  58
-2024-12-03 15:35:24,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,552 - INFO - moving on ...
-2024-12-03 15:35:24,552 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 15:35:24,552 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,552 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,552 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,554 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,554 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,554 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-03 15:35:24,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-03 15:35:24,554 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-03 15:35:24,561 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,561 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,562 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 15:35:24,562 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,564 - INFO - number of orbitals:  54
-2024-12-03 15:35:24,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,564 - INFO - moving on ...
-2024-12-03 15:35:24,564 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 15:35:24,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,564 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,566 - INFO - number of orbitals:  55
-2024-12-03 15:35:24,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,566 - INFO - moving on ...
-2024-12-03 15:35:24,566 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 15:35:24,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,566 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,566 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,568 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,568 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,568 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-03 15:35:24,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-03 15:35:24,568 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-03 15:35:24,575 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,575 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,575 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 15:35:24,575 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,575 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,575 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,577 - INFO - number of orbitals:  54
-2024-12-03 15:35:24,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,577 - INFO - moving on ...
-2024-12-03 15:35:24,577 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 15:35:24,577 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,577 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,578 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,579 - INFO - number of orbitals:  55
-2024-12-03 15:35:24,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,579 - INFO - moving on ...
-2024-12-03 15:35:24,579 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 15:35:24,580 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 15:35:24,580 - INFO - problem_instance short name: Ti_0
-2024-12-03 15:35:24,580 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,580 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 15:35:24,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,581 - INFO - number of orbitals:  54
-2024-12-03 15:35:24,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,581 - INFO - moving on ...
-2024-12-03 15:35:24,581 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 15:35:24,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,583 - INFO - number of orbitals:  88
-2024-12-03 15:35:24,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,583 - INFO - moving on ...
-2024-12-03 15:35:24,583 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-03 15:35:24,583 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-03 15:35:24,583 - INFO - problem_instance short name: na_cl_0
-2024-12-03 15:35:24,583 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,583 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-03 15:35:24,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,584 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,584 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,584 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-03 15:35:24,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-03 15:35:24,585 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-03 15:35:24,591 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,591 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,592 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-03 15:35:24,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-03 15:35:24,592 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,592 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-03 15:35:24,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,593 - INFO - number of orbitals:  118
-2024-12-03 15:35:24,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,593 - INFO - moving on ...
-2024-12-03 15:35:24,593 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-03 15:35:24,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,594 - INFO - number of orbitals:  68
-2024-12-03 15:35:24,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,594 - INFO - moving on ...
-2024-12-03 15:35:24,594 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 15:35:24,595 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 15:35:24,595 - INFO - problem_instance short name: li_f_0
-2024-12-03 15:35:24,595 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,595 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 15:35:24,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,596 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,596 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,596 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-03 15:35:24,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-03 15:35:24,596 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-03 15:35:24,603 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,603 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,603 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-03 15:35:24,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-03 15:35:24,603 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,603 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 15:35:24,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,604 - INFO - number of orbitals:  110
-2024-12-03 15:35:24,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,605 - INFO - moving on ...
-2024-12-03 15:35:24,605 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 15:35:24,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,606 - INFO - number of orbitals:  60
-2024-12-03 15:35:24,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,606 - INFO - moving on ...
-2024-12-03 15:35:24,606 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 15:35:24,606 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 15:35:24,606 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 15:35:24,606 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,606 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 15:35:24,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,607 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,608 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,608 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 15:35:24,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 15:35:24,608 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 15:35:24,614 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,615 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,615 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 15:35:24,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 15:35:24,615 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,615 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 15:35:24,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,616 - INFO - number of orbitals:  115
-2024-12-03 15:35:24,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,616 - INFO - moving on ...
-2024-12-03 15:35:24,616 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 15:35:24,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,618 - INFO - number of orbitals:  58
-2024-12-03 15:35:24,618 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,618 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,618 - INFO - moving on ...
-2024-12-03 15:35:24,618 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 15:35:24,618 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 15:35:24,618 - INFO - problem_instance short name: blue_dimer
-2024-12-03 15:35:24,618 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,618 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 15:35:24,618 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,618 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,618 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,620 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,620 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,620 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 15:35:24,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 15:35:24,620 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 15:35:24,627 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,627 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,628 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 15:35:24,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,630 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,630 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,630 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 15:35:24,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 15:35:24,630 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 15:35:24,636 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,637 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,637 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 15:35:24,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,637 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,637 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,639 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,639 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,639 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-03 15:35:24,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-03 15:35:24,639 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-03 15:35:24,646 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,646 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,646 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 15:35:24,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,647 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,647 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,649 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,649 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,649 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-03 15:35:24,649 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-03 15:35:24,649 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-03 15:35:24,656 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,656 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,656 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 15:35:24,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,657 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,658 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,658 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,658 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 15:35:24,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 15:35:24,659 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 15:35:24,665 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,666 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,666 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 15:35:24,666 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,666 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,666 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,668 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,668 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,668 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 15:35:24,668 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 15:35:24,668 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 15:35:24,675 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,675 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,676 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 15:35:24,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,677 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,678 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,678 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-03 15:35:24,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-03 15:35:24,678 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-03 15:35:24,685 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,685 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,685 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 15:35:24,685 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,685 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,685 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,688 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,688 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,688 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-03 15:35:24,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-03 15:35:24,688 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-03 15:35:24,695 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,696 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,696 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 15:35:24,696 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,696 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,696 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,698 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,698 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,698 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 15:35:24,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 15:35:24,698 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 15:35:24,705 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,705 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,706 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 15:35:24,706 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,706 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,706 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,708 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,708 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,708 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-03 15:35:24,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-03 15:35:24,708 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-03 15:35:24,715 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,715 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,715 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 15:35:24,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,717 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,717 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,717 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-03 15:35:24,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-03 15:35:24,718 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-03 15:35:24,725 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,725 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,725 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 15:35:24,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 15:35:24,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 15:35:24,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 15:35:24,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,727 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,728 - INFO - number of supporting files: 1
-2024-12-03 15:35:24,728 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-03 15:35:24,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-03 15:35:24,728 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-03 15:35:24,735 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,735 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,735 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 15:35:24,735 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 15:35:24,735 - INFO - problem_instance short name: na2_0
-2024-12-03 15:35:24,735 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,735 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 15:35:24,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,737 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,737 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,737 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-03 15:35:24,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-03 15:35:24,737 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-03 15:35:24,745 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,745 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,745 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-03 15:35:24,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-03 15:35:24,745 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,745 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 15:35:24,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,747 - INFO - number of orbitals:  118
-2024-12-03 15:35:24,747 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,747 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,747 - INFO - moving on ...
-2024-12-03 15:35:24,747 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 15:35:24,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,748 - INFO - number of orbitals:  68
-2024-12-03 15:35:24,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,749 - INFO - moving on ...
-2024-12-03 15:35:24,749 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-03 15:35:24,749 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-03 15:35:24,749 - INFO - problem_instance short name: Cr_1
-2024-12-03 15:35:24,749 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,749 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-03 15:35:24,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,750 - INFO - number of orbitals:  54
-2024-12-03 15:35:24,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,750 - INFO - moving on ...
-2024-12-03 15:35:24,750 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-03 15:35:24,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,752 - INFO - number of orbitals:  135
-2024-12-03 15:35:24,752 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,752 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,752 - INFO - moving on ...
-2024-12-03 15:35:24,752 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-03 15:35:24,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,753 - INFO - number of orbitals:  88
-2024-12-03 15:35:24,753 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,753 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,753 - INFO - moving on ...
-2024-12-03 15:35:24,753 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 15:35:24,754 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 15:35:24,754 - INFO - problem_instance short name: cl2_0
-2024-12-03 15:35:24,754 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,754 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 15:35:24,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,755 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,755 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,755 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-03 15:35:24,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-03 15:35:24,755 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-03 15:35:24,763 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,763 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,763 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-03 15:35:24,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-03 15:35:24,763 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,763 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 15:35:24,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,765 - INFO - number of orbitals:  118
-2024-12-03 15:35:24,765 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,765 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,765 - INFO - moving on ...
-2024-12-03 15:35:24,765 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 15:35:24,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,767 - INFO - number of orbitals:  68
-2024-12-03 15:35:24,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,767 - INFO - moving on ...
-2024-12-03 15:35:24,767 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 15:35:24,767 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 15:35:24,767 - INFO - problem_instance short name: p_h3_0
-2024-12-03 15:35:24,767 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,767 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 15:35:24,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,768 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,769 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,769 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-03 15:35:24,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-03 15:35:24,769 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-03 15:35:24,776 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,777 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-03 15:35:24,777 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-03 15:35:24,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-03 15:35:24,777 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:35:24,777 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 15:35:24,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,779 - INFO - number of orbitals:  76
-2024-12-03 15:35:24,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:35:24,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:35:24,779 - INFO - moving on ...
-2024-12-03 15:35:24,779 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 15:35:24,779 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 15:35:24,779 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 15:35:24,779 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:35:24,779 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 15:35:24,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:35:24,780 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:35:24,780 - INFO - number of supporting files: 2
-2024-12-03 15:35:24,780 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-03 15:35:24,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-03 15:35:24,781 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-03 15:35:24,787 - INFO - number of entries in Hamiltonian_features.csv:  109
-2024-12-03 15:35:24,788 - INFO - did NOT find instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d in database.
-2024-12-03 15:35:24,788 - INFO - Processing instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d ...
-2024-12-03 15:35:24,788 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz...
-2024-12-03 15:35:24,833 - INFO - Connected (version 2.0, client 0)
-2024-12-03 15:35:25,384 - INFO - Authentication (publickey) successful!
-2024-12-03 15:35:25,401 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 15:35:25,647 - INFO - [chan 0] sftp session closed.
-2024-12-03 15:35:25,648 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 15:35:25,648 - INFO - decompressing file fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz...
-2024-12-03 15:35:25,803 - INFO - this script has been running for 5.56 hours.
-2024-12-03 15:35:25,804 - INFO - ===============================================
-2024-12-03 15:35:25,804 - INFO - calculating Hamiltonian features...
-2024-12-03 15:35:25,804 - INFO - reading data from fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d
-2024-12-03 15:35:26,854 - INFO - finished reading FCIDUMP data.
-2024-12-03 15:35:26,854 - INFO - data['NORB']: 48
-2024-12-03 15:35:26,854 - INFO - len(data['H1']): 48
-2024-12-03 15:35:26,854 - INFO - ao2mo.restore...
-2024-12-03 15:35:26,862 - INFO - done.
-2024-12-03 15:35:26,862 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 15:35:26,863 - INFO - done.
-2024-12-03 15:35:26,863 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 15:41:42,945 - INFO - done.
-2024-12-03 15:41:42,945 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 15:41:58,360 - INFO - done.
-2024-12-03 15:41:58,360 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 15:41:59,659 - INFO - done.
-2024-12-03 15:41:59,659 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 15:42:00,642 - INFO - done.
-2024-12-03 15:42:00,643 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 15:42:00,644 - INFO - done.
-2024-12-03 15:42:00,645 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 15:42:00,646 - INFO - done.
-2024-12-03 15:42:00,885 - INFO - Hamiltonian features calculation run time (seconds): 395.081309
-2024-12-03 15:42:00,888 - INFO - wrote df_eigs to file: df_eigs.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.bin
-2024-12-03 15:42:00,888 - INFO - deleting file fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-03 15:42:00,891 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 15:42:00,899 - INFO - this script has been running for 5.67 hours.
-2024-12-03 15:42:00,900 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-03 15:42:00,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-03 15:42:00,902 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:42:00,903 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 15:42:00,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,907 - INFO - number of orbitals:  116
-2024-12-03 15:42:00,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:42:00,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:42:00,909 - INFO - moving on ...
-2024-12-03 15:42:00,910 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-03 15:42:00,911 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-03 15:42:00,911 - INFO - problem_instance short name: Mn_1
-2024-12-03 15:42:00,912 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:42:00,912 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-03 15:42:00,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,914 - INFO - number of orbitals:  54
-2024-12-03 15:42:00,914 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:42:00,914 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:42:00,914 - INFO - moving on ...
-2024-12-03 15:42:00,914 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-03 15:42:00,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,916 - INFO - number of orbitals:  88
-2024-12-03 15:42:00,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:42:00,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:42:00,916 - INFO - moving on ...
-2024-12-03 15:42:00,916 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 15:42:00,916 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 15:42:00,916 - INFO - problem_instance short name: FeO_0
-2024-12-03 15:42:00,916 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 15:42:00,916 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 15:42:00,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,918 - INFO - number of orbitals:  76
-2024-12-03 15:42:00,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:42:00,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:42:00,918 - INFO - moving on ...
-2024-12-03 15:42:00,918 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 15:42:00,918 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 15:42:00,918 - INFO - problem_instance short name: c_s_0
-2024-12-03 15:42:00,918 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:42:00,918 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 15:42:00,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,919 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:42:00,919 - INFO - number of supporting files: 2
-2024-12-03 15:42:00,919 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-03 15:42:00,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-03 15:42:00,919 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-03 15:42:00,926 - INFO - number of entries in Hamiltonian_features.csv:  110
-2024-12-03 15:42:00,927 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-03 15:42:00,927 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-03 15:42:00,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-03 15:42:00,927 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:42:00,927 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 15:42:00,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,928 - INFO - number of orbitals:  64
-2024-12-03 15:42:00,928 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:42:00,928 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:42:00,928 - INFO - moving on ...
-2024-12-03 15:42:00,928 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 15:42:00,929 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 15:42:00,929 - INFO - problem_instance short name: Sc_1
-2024-12-03 15:42:00,929 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 15:42:00,929 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 15:42:00,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,931 - INFO - number of orbitals:  54
-2024-12-03 15:42:00,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:42:00,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:42:00,931 - INFO - moving on ...
-2024-12-03 15:42:00,931 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 15:42:00,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,933 - INFO - number of orbitals:  135
-2024-12-03 15:42:00,933 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:42:00,933 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:42:00,933 - INFO - moving on ...
-2024-12-03 15:42:00,933 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 15:42:00,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,935 - INFO - number of orbitals:  88
-2024-12-03 15:42:00,935 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:42:00,935 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:42:00,935 - INFO - moving on ...
-2024-12-03 15:42:00,935 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 15:42:00,935 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 15:42:00,935 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 15:42:00,935 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:42:00,936 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 15:42:00,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,937 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:42:00,937 - INFO - number of supporting files: 2
-2024-12-03 15:42:00,937 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-03 15:42:00,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-03 15:42:00,938 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-03 15:42:00,947 - INFO - number of entries in Hamiltonian_features.csv:  110
-2024-12-03 15:42:00,948 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-03 15:42:00,948 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-03 15:42:00,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-03 15:42:00,948 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 15:42:00,948 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 15:42:00,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,950 - INFO - number of orbitals:  78
-2024-12-03 15:42:00,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 15:42:00,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 15:42:00,950 - INFO - moving on ...
-2024-12-03 15:42:00,950 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 15:42:00,950 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 15:42:00,950 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 15:42:00,950 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 15:42:00,950 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 15:42:00,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 15:42:00,952 - INFO - attempting to process the Hamiltonian...
-2024-12-03 15:42:00,952 - INFO - number of supporting files: 2
-2024-12-03 15:42:00,952 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-03 15:42:00,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-03 15:42:00,952 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-03 15:42:00,962 - INFO - number of entries in Hamiltonian_features.csv:  110
-2024-12-03 15:42:00,962 - INFO - did NOT find instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 in database.
-2024-12-03 15:42:00,962 - INFO - Processing instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 ...
-2024-12-03 15:42:00,963 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz...
-2024-12-03 15:42:01,008 - INFO - Connected (version 2.0, client 0)
-2024-12-03 15:42:01,760 - INFO - Authentication (publickey) successful!
-2024-12-03 15:42:01,785 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 15:42:02,675 - INFO - [chan 0] sftp session closed.
-2024-12-03 15:42:02,675 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 15:42:02,676 - INFO - decompressing file fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz...
-2024-12-03 15:42:03,141 - INFO - this script has been running for 5.67 hours.
-2024-12-03 15:42:03,141 - INFO - ===============================================
-2024-12-03 15:42:03,141 - INFO - calculating Hamiltonian features...
-2024-12-03 15:42:03,141 - INFO - reading data from fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41
-2024-12-03 15:42:06,527 - INFO - finished reading FCIDUMP data.
-2024-12-03 15:42:06,528 - INFO - data['NORB']: 47
-2024-12-03 15:42:06,528 - INFO - len(data['H1']): 47
-2024-12-03 15:42:06,528 - INFO - ao2mo.restore...
-2024-12-03 15:42:06,535 - INFO - done.
-2024-12-03 15:42:06,536 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 15:42:06,536 - INFO - done.
-2024-12-03 15:42:06,536 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 16:00:51,710 - INFO - done.
-2024-12-03 16:00:51,710 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 16:01:59,645 - INFO - done.
-2024-12-03 16:01:59,645 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 16:02:06,744 - INFO - done.
-2024-12-03 16:02:06,745 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 16:02:07,534 - INFO - done.
-2024-12-03 16:02:07,535 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 16:02:07,536 - INFO - done.
-2024-12-03 16:02:07,536 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 16:02:07,537 - INFO - done.
-2024-12-03 16:02:08,225 - INFO - Hamiltonian features calculation run time (seconds): 1205.083315
-2024-12-03 16:02:08,227 - INFO - wrote df_eigs to file: df_eigs.80298b55-8915-462f-8f20-e4332c94ed41.bin
-2024-12-03 16:02:08,227 - INFO - deleting file fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-03 16:02:08,237 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 16:02:08,243 - INFO - this script has been running for 6.00 hours.
-2024-12-03 16:02:08,244 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-03 16:02:08,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-03 16:02:08,245 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:02:08,245 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 16:02:08,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,248 - INFO - number of orbitals:  106
-2024-12-03 16:02:08,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,249 - INFO - moving on ...
-2024-12-03 16:02:08,249 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-03 16:02:08,250 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-03 16:02:08,250 - INFO - problem_instance short name: O_0
-2024-12-03 16:02:08,251 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 16:02:08,251 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-03 16:02:08,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,253 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:02:08,253 - INFO - number of supporting files: 2
-2024-12-03 16:02:08,253 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-03 16:02:08,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-03 16:02:08,254 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-03 16:02:08,261 - INFO - number of entries in Hamiltonian_features.csv:  111
-2024-12-03 16:02:08,261 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-03 16:02:08,261 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-03 16:02:08,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-03 16:02:08,261 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:02:08,261 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-03 16:02:08,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,263 - INFO - number of orbitals:  79
-2024-12-03 16:02:08,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,263 - INFO - moving on ...
-2024-12-03 16:02:08,263 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-03 16:02:08,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,265 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:02:08,265 - INFO - number of supporting files: 2
-2024-12-03 16:02:08,265 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-03 16:02:08,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-03 16:02:08,265 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-03 16:02:08,272 - INFO - number of entries in Hamiltonian_features.csv:  111
-2024-12-03 16:02:08,272 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-03 16:02:08,272 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-03 16:02:08,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-03 16:02:08,272 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:02:08,273 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 16:02:08,273 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 16:02:08,273 - INFO - problem_instance short name: Sc_0
-2024-12-03 16:02:08,273 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 16:02:08,273 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 16:02:08,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,274 - INFO - number of orbitals:  54
-2024-12-03 16:02:08,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,274 - INFO - moving on ...
-2024-12-03 16:02:08,274 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 16:02:08,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,276 - INFO - number of orbitals:  135
-2024-12-03 16:02:08,276 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,276 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,276 - INFO - moving on ...
-2024-12-03 16:02:08,276 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 16:02:08,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,277 - INFO - number of orbitals:  88
-2024-12-03 16:02:08,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,277 - INFO - moving on ...
-2024-12-03 16:02:08,277 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 16:02:08,278 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 16:02:08,278 - INFO - problem_instance short name: n2_0
-2024-12-03 16:02:08,278 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 16:02:08,278 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 16:02:08,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,279 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:02:08,279 - INFO - number of supporting files: 2
-2024-12-03 16:02:08,279 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-03 16:02:08,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-03 16:02:08,279 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-03 16:02:08,287 - INFO - number of entries in Hamiltonian_features.csv:  111
-2024-12-03 16:02:08,288 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-03 16:02:08,288 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-03 16:02:08,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-03 16:02:08,288 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:02:08,288 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 16:02:08,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,290 - INFO - number of orbitals:  110
-2024-12-03 16:02:08,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,290 - INFO - moving on ...
-2024-12-03 16:02:08,290 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 16:02:08,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,292 - INFO - number of orbitals:  60
-2024-12-03 16:02:08,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,292 - INFO - moving on ...
-2024-12-03 16:02:08,292 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 16:02:08,292 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 16:02:08,292 - INFO - problem_instance short name: O_1
-2024-12-03 16:02:08,292 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 16:02:08,292 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 16:02:08,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,294 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:02:08,294 - INFO - number of supporting files: 2
-2024-12-03 16:02:08,294 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 16:02:08,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 16:02:08,295 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 16:02:08,304 - INFO - number of entries in Hamiltonian_features.csv:  111
-2024-12-03 16:02:08,304 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 16:02:08,305 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 16:02:08,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 16:02:08,305 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:02:08,305 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 16:02:08,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,307 - INFO - number of orbitals:  79
-2024-12-03 16:02:08,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,307 - INFO - moving on ...
-2024-12-03 16:02:08,307 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 16:02:08,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,309 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:02:08,309 - INFO - number of supporting files: 2
-2024-12-03 16:02:08,309 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-03 16:02:08,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-03 16:02:08,309 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-03 16:02:08,319 - INFO - number of entries in Hamiltonian_features.csv:  111
-2024-12-03 16:02:08,319 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-03 16:02:08,319 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-03 16:02:08,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-03 16:02:08,319 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:02:08,319 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 16:02:08,320 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 16:02:08,320 - INFO - problem_instance short name: CrO_0
-2024-12-03 16:02:08,320 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 16:02:08,320 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 16:02:08,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,322 - INFO - number of orbitals:  76
-2024-12-03 16:02:08,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,322 - INFO - moving on ...
-2024-12-03 16:02:08,322 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 16:02:08,322 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 16:02:08,322 - INFO - problem_instance short name: V_0
-2024-12-03 16:02:08,322 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 16:02:08,322 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 16:02:08,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,324 - INFO - number of orbitals:  54
-2024-12-03 16:02:08,324 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,324 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,324 - INFO - moving on ...
-2024-12-03 16:02:08,324 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 16:02:08,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,326 - INFO - number of orbitals:  88
-2024-12-03 16:02:08,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,326 - INFO - moving on ...
-2024-12-03 16:02:08,326 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 16:02:08,326 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 16:02:08,326 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 16:02:08,326 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 16:02:08,326 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 16:02:08,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,328 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:02:08,328 - INFO - number of supporting files: 1
-2024-12-03 16:02:08,328 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-03 16:02:08,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-03 16:02:08,328 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-03 16:02:08,338 - INFO - number of entries in Hamiltonian_features.csv:  111
-2024-12-03 16:02:08,338 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-03 16:02:08,338 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 16:02:08,338 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 16:02:08,339 - INFO - problem_instance short name: li_h_0
-2024-12-03 16:02:08,339 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 16:02:08,339 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 16:02:08,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,340 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:02:08,341 - INFO - number of supporting files: 2
-2024-12-03 16:02:08,341 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 16:02:08,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 16:02:08,341 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 16:02:08,351 - INFO - number of entries in Hamiltonian_features.csv:  111
-2024-12-03 16:02:08,351 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 16:02:08,351 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 16:02:08,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 16:02:08,351 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:02:08,352 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 16:02:08,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,354 - INFO - number of orbitals:  85
-2024-12-03 16:02:08,354 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:02:08,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:02:08,354 - INFO - moving on ...
-2024-12-03 16:02:08,354 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 16:02:08,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,356 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:02:08,356 - INFO - number of supporting files: 2
-2024-12-03 16:02:08,356 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-03 16:02:08,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-03 16:02:08,356 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-03 16:02:08,365 - INFO - number of entries in Hamiltonian_features.csv:  111
-2024-12-03 16:02:08,366 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-03 16:02:08,366 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-03 16:02:08,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-03 16:02:08,366 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:02:08,366 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-03 16:02:08,366 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-03 16:02:08,366 - INFO - problem_instance short name: n2_h4_0
-2024-12-03 16:02:08,366 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 16:02:08,367 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-03 16:02:08,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:02:08,368 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:02:08,369 - INFO - number of supporting files: 2
-2024-12-03 16:02:08,369 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-03 16:02:08,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-03 16:02:08,369 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-03 16:02:08,379 - INFO - number of entries in Hamiltonian_features.csv:  111
-2024-12-03 16:02:08,379 - INFO - did NOT find instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 in database.
-2024-12-03 16:02:08,379 - INFO - Processing instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 ...
-2024-12-03 16:02:08,379 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz...
-2024-12-03 16:02:08,422 - INFO - Connected (version 2.0, client 0)
-2024-12-03 16:02:08,952 - INFO - Authentication (publickey) successful!
-2024-12-03 16:02:08,972 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 16:02:10,090 - INFO - [chan 0] sftp session closed.
-2024-12-03 16:02:10,091 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 16:02:10,091 - INFO - decompressing file fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz...
-2024-12-03 16:02:10,570 - INFO - this script has been running for 6.00 hours.
-2024-12-03 16:02:10,570 - INFO - ===============================================
-2024-12-03 16:02:10,570 - INFO - calculating Hamiltonian features...
-2024-12-03 16:02:10,571 - INFO - reading data from fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94
-2024-12-03 16:02:13,700 - INFO - finished reading FCIDUMP data.
-2024-12-03 16:02:13,701 - INFO - data['NORB']: 48
-2024-12-03 16:02:13,701 - INFO - len(data['H1']): 48
-2024-12-03 16:02:13,701 - INFO - ao2mo.restore...
-2024-12-03 16:02:13,709 - INFO - done.
-2024-12-03 16:02:13,709 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 16:02:13,709 - INFO - done.
-2024-12-03 16:02:13,710 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 16:23:15,677 - INFO - done.
-2024-12-03 16:23:15,677 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 16:24:43,056 - INFO - done.
-2024-12-03 16:24:43,056 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 16:24:52,195 - INFO - done.
-2024-12-03 16:24:52,195 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 16:24:53,094 - INFO - done.
-2024-12-03 16:24:53,094 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 16:24:53,095 - INFO - done.
-2024-12-03 16:24:53,096 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 16:24:53,096 - INFO - done.
-2024-12-03 16:24:53,893 - INFO - Hamiltonian features calculation run time (seconds): 1363.322747
-2024-12-03 16:24:53,895 - INFO - wrote df_eigs to file: df_eigs.aba33661-3ce8-4f28-824f-e98244906d94.bin
-2024-12-03 16:24:53,895 - INFO - deleting file fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-03 16:24:53,904 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 16:24:53,909 - INFO - this script has been running for 6.38 hours.
-2024-12-03 16:24:53,910 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-03 16:24:53,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-03 16:24:53,911 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:24:53,911 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-03 16:24:53,912 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-03 16:24:53,912 - INFO - problem_instance short name: planted_solution_0001
-2024-12-03 16:24:53,912 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 16:24:53,913 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-03 16:24:53,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:24:53,915 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:24:53,915 - INFO - number of supporting files: 1
-2024-12-03 16:24:53,916 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-03 16:24:53,916 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-03 16:24:53,916 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-03 16:24:53,924 - INFO - number of entries in Hamiltonian_features.csv:  112
-2024-12-03 16:24:53,924 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-03 16:24:53,925 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 16:24:53,925 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 16:24:53,926 - INFO - problem_instance short name: Cu_0
-2024-12-03 16:24:53,926 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 16:24:53,926 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 16:24:53,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:24:53,928 - INFO - number of orbitals:  54
-2024-12-03 16:24:53,929 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:24:53,929 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:24:53,930 - INFO - moving on ...
-2024-12-03 16:24:53,930 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 16:24:53,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:24:53,932 - INFO - number of orbitals:  88
-2024-12-03 16:24:53,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:24:53,933 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:24:53,933 - INFO - moving on ...
-2024-12-03 16:24:53,933 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 16:24:53,934 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 16:24:53,934 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 16:24:53,934 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 16:24:53,935 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 16:24:53,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:24:53,937 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:24:53,937 - INFO - number of supporting files: 1
-2024-12-03 16:24:53,938 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 16:24:53,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 16:24:53,938 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 16:24:53,946 - INFO - number of entries in Hamiltonian_features.csv:  112
-2024-12-03 16:24:53,946 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 16:24:53,947 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 16:24:53,947 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 16:24:53,947 - INFO - problem_instance short name: h_cl_0
-2024-12-03 16:24:53,948 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 16:24:53,948 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 16:24:53,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:24:53,950 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:24:53,950 - INFO - number of supporting files: 2
-2024-12-03 16:24:53,951 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 16:24:53,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 16:24:53,951 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 16:24:53,958 - INFO - number of entries in Hamiltonian_features.csv:  112
-2024-12-03 16:24:53,959 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 16:24:53,960 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 16:24:53,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 16:24:53,960 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:24:53,961 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 16:24:53,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:24:53,963 - INFO - number of orbitals:  89
-2024-12-03 16:24:53,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:24:53,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:24:53,964 - INFO - moving on ...
-2024-12-03 16:24:53,964 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 16:24:53,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:24:53,965 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:24:53,965 - INFO - number of supporting files: 2
-2024-12-03 16:24:53,965 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-03 16:24:53,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-03 16:24:53,965 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-03 16:24:53,972 - INFO - number of entries in Hamiltonian_features.csv:  112
-2024-12-03 16:24:53,973 - INFO - did NOT find instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a in database.
-2024-12-03 16:24:53,973 - INFO - Processing instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a ...
-2024-12-03 16:24:53,973 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz...
-2024-12-03 16:24:54,016 - INFO - Connected (version 2.0, client 0)
-2024-12-03 16:24:54,533 - INFO - Authentication (publickey) successful!
-2024-12-03 16:24:54,551 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 16:24:54,896 - INFO - [chan 0] sftp session closed.
-2024-12-03 16:24:54,897 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 16:24:54,898 - INFO - decompressing file fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz...
-2024-12-03 16:24:55,102 - INFO - this script has been running for 6.38 hours.
-2024-12-03 16:24:55,102 - INFO - ===============================================
-2024-12-03 16:24:55,102 - INFO - calculating Hamiltonian features...
-2024-12-03 16:24:55,102 - INFO - reading data from fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a
-2024-12-03 16:24:56,646 - INFO - finished reading FCIDUMP data.
-2024-12-03 16:24:56,646 - INFO - data['NORB']: 48
-2024-12-03 16:24:56,646 - INFO - len(data['H1']): 48
-2024-12-03 16:24:56,646 - INFO - ao2mo.restore...
-2024-12-03 16:24:56,654 - INFO - done.
-2024-12-03 16:24:56,654 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 16:24:56,654 - INFO - done.
-2024-12-03 16:24:56,654 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 16:34:59,087 - INFO - done.
-2024-12-03 16:34:59,087 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 16:35:45,202 - INFO - done.
-2024-12-03 16:35:45,202 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 16:35:49,584 - INFO - done.
-2024-12-03 16:35:49,584 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 16:35:50,467 - INFO - done.
-2024-12-03 16:35:50,468 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 16:35:50,470 - INFO - done.
-2024-12-03 16:35:50,471 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 16:35:50,472 - INFO - done.
-2024-12-03 16:35:50,896 - INFO - Hamiltonian features calculation run time (seconds): 655.793816
-2024-12-03 16:35:50,898 - INFO - wrote df_eigs to file: df_eigs.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.bin
-2024-12-03 16:35:50,898 - INFO - deleting file fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-03 16:35:50,902 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 16:35:50,908 - INFO - this script has been running for 6.56 hours.
-2024-12-03 16:35:50,908 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-03 16:35:50,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-03 16:35:50,909 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:35:50,909 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 16:35:50,910 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 16:35:50,911 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 16:35:50,911 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 16:35:50,911 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 16:35:50,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,914 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:50,914 - INFO - number of supporting files: 2
-2024-12-03 16:35:50,915 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-03 16:35:50,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-03 16:35:50,916 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-03 16:35:50,923 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:50,924 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-03 16:35:50,925 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-03 16:35:50,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-03 16:35:50,926 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:35:50,926 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 16:35:50,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,928 - INFO - number of orbitals:  88
-2024-12-03 16:35:50,929 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:35:50,929 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:35:50,930 - INFO - moving on ...
-2024-12-03 16:35:50,930 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 16:35:50,931 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 16:35:50,931 - INFO - problem_instance short name: mo2_n2
-2024-12-03 16:35:50,932 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 16:35:50,932 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 16:35:50,932 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 16:35:50,933 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 16:35:50,933 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 16:35:50,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,936 - INFO - number of orbitals:  69
-2024-12-03 16:35:50,936 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:35:50,936 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:35:50,936 - INFO - moving on ...
-2024-12-03 16:35:50,936 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 16:35:50,936 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 16:35:50,936 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 16:35:50,936 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 16:35:50,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,938 - INFO - number of orbitals:  70
-2024-12-03 16:35:50,938 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:35:50,938 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:35:50,938 - INFO - moving on ...
-2024-12-03 16:35:50,938 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 16:35:50,938 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 16:35:50,938 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 16:35:50,938 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 16:35:50,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,940 - INFO - number of orbitals:  69
-2024-12-03 16:35:50,940 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:35:50,940 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:35:50,940 - INFO - moving on ...
-2024-12-03 16:35:50,940 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 16:35:50,940 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 16:35:50,940 - INFO - problem_instance short name: Ti_1
-2024-12-03 16:35:50,940 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 16:35:50,941 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 16:35:50,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,942 - INFO - number of orbitals:  54
-2024-12-03 16:35:50,942 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:35:50,942 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:35:50,942 - INFO - moving on ...
-2024-12-03 16:35:50,942 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 16:35:50,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,943 - INFO - number of orbitals:  88
-2024-12-03 16:35:50,943 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-03 16:35:50,943 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:35:50,943 - INFO - moving on ...
-2024-12-03 16:35:50,943 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 16:35:50,944 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 16:35:50,944 - INFO - problem_instance short name: ru_mono
-2024-12-03 16:35:50,944 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 16:35:50,944 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 16:35:50,944 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 16:35:50,944 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 16:35:50,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 16:35:50,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,945 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:50,945 - INFO - number of supporting files: 1
-2024-12-03 16:35:50,945 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 16:35:50,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 16:35:50,945 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 16:35:50,952 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:50,953 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 16:35:50,953 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 16:35:50,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 16:35:50,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 16:35:50,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 16:35:50,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,955 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:50,955 - INFO - number of supporting files: 1
-2024-12-03 16:35:50,955 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-03 16:35:50,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-03 16:35:50,955 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-03 16:35:50,962 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:50,962 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-03 16:35:50,962 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 16:35:50,962 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 16:35:50,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 16:35:50,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 16:35:50,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,964 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:50,964 - INFO - number of supporting files: 1
-2024-12-03 16:35:50,964 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 16:35:50,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 16:35:50,964 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 16:35:50,971 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:50,971 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 16:35:50,971 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 16:35:50,971 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 16:35:50,971 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 16:35:50,971 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 16:35:50,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,973 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:50,973 - INFO - number of supporting files: 1
-2024-12-03 16:35:50,973 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-03 16:35:50,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-03 16:35:50,973 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-03 16:35:50,980 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:50,980 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-03 16:35:50,981 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 16:35:50,981 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 16:35:50,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 16:35:50,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 16:35:50,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,983 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:50,983 - INFO - number of supporting files: 1
-2024-12-03 16:35:50,983 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 16:35:50,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 16:35:50,983 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 16:35:50,990 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:50,990 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 16:35:50,990 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 16:35:50,990 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 16:35:50,990 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 16:35:50,990 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 16:35:50,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:50,992 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:50,992 - INFO - number of supporting files: 1
-2024-12-03 16:35:50,992 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-03 16:35:50,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-03 16:35:50,992 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-03 16:35:50,999 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:50,999 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-03 16:35:50,999 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 16:35:51,000 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 16:35:51,000 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 16:35:51,000 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 16:35:51,000 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 16:35:51,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:51,001 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:51,001 - INFO - number of supporting files: 1
-2024-12-03 16:35:51,001 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-03 16:35:51,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-03 16:35:51,001 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-03 16:35:51,008 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:51,008 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-03 16:35:51,009 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-03 16:35:51,009 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-03 16:35:51,009 - INFO - problem_instance short name: c_s_0
-2024-12-03 16:35:51,009 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 16:35:51,009 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-03 16:35:51,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:51,010 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:51,010 - INFO - number of supporting files: 2
-2024-12-03 16:35:51,010 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-03 16:35:51,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-03 16:35:51,010 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-03 16:35:51,017 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:51,017 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-03 16:35:51,017 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-03 16:35:51,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-03 16:35:51,018 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:35:51,018 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-03 16:35:51,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:51,019 - INFO - number of orbitals:  64
-2024-12-03 16:35:51,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 16:35:51,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:35:51,019 - INFO - moving on ...
-2024-12-03 16:35:51,019 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-03 16:35:51,019 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-03 16:35:51,019 - INFO - problem_instance short name: p_h3_0
-2024-12-03 16:35:51,019 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 16:35:51,019 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-03 16:35:51,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:51,021 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:51,021 - INFO - number of supporting files: 2
-2024-12-03 16:35:51,021 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-03 16:35:51,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-03 16:35:51,021 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-03 16:35:51,027 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:51,028 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-03 16:35:51,028 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-03 16:35:51,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-03 16:35:51,028 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:35:51,028 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-03 16:35:51,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:51,029 - INFO - number of orbitals:  76
-2024-12-03 16:35:51,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 16:35:51,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:35:51,029 - INFO - moving on ...
-2024-12-03 16:35:51,029 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-03 16:35:51,029 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-03 16:35:51,029 - INFO - problem_instance short name: Mn_0
-2024-12-03 16:35:51,029 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 16:35:51,029 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-03 16:35:51,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:35:51,030 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:35:51,031 - INFO - number of supporting files: 2
-2024-12-03 16:35:51,031 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-03 16:35:51,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-03 16:35:51,031 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-03 16:35:51,037 - INFO - number of entries in Hamiltonian_features.csv:  113
-2024-12-03 16:35:51,038 - INFO - did NOT find instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d in database.
-2024-12-03 16:35:51,038 - INFO - Processing instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d ...
-2024-12-03 16:35:51,038 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz...
-2024-12-03 16:35:51,084 - INFO - Connected (version 2.0, client 0)
-2024-12-03 16:35:51,579 - INFO - Authentication (publickey) successful!
-2024-12-03 16:35:51,607 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 16:35:52,796 - INFO - [chan 0] sftp session closed.
-2024-12-03 16:35:52,797 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 16:35:52,797 - INFO - decompressing file fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz...
-2024-12-03 16:35:53,231 - INFO - this script has been running for 6.56 hours.
-2024-12-03 16:35:53,232 - INFO - ===============================================
-2024-12-03 16:35:53,232 - INFO - calculating Hamiltonian features...
-2024-12-03 16:35:53,232 - INFO - reading data from fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d
-2024-12-03 16:35:56,768 - INFO - finished reading FCIDUMP data.
-2024-12-03 16:35:56,768 - INFO - data['NORB']: 54
-2024-12-03 16:35:56,768 - INFO - len(data['H1']): 54
-2024-12-03 16:35:56,769 - INFO - ao2mo.restore...
-2024-12-03 16:35:56,794 - INFO - done.
-2024-12-03 16:35:56,795 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 16:35:56,795 - INFO - done.
-2024-12-03 16:35:56,795 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 16:57:07,992 - INFO - done.
-2024-12-03 16:57:07,992 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 16:57:51,533 - INFO - done.
-2024-12-03 16:57:51,534 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 16:57:56,061 - INFO - done.
-2024-12-03 16:57:56,062 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 16:57:57,641 - INFO - done.
-2024-12-03 16:57:57,642 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 16:57:57,642 - INFO - done.
-2024-12-03 16:57:57,643 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 16:57:57,643 - INFO - done.
-2024-12-03 16:57:58,145 - INFO - Hamiltonian features calculation run time (seconds): 1324.913539
-2024-12-03 16:57:58,147 - INFO - wrote df_eigs to file: df_eigs.a83413fb-96e3-466e-910b-6d4bab7cdf1d.bin
-2024-12-03 16:57:58,147 - INFO - deleting file fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-03 16:57:58,156 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 16:57:58,162 - INFO - this script has been running for 6.93 hours.
-2024-12-03 16:57:58,163 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-03 16:57:58,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-03 16:57:58,163 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:57:58,164 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-03 16:57:58,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:57:58,166 - INFO - number of orbitals:  88
-2024-12-03 16:57:58,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 16:57:58,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:57:58,167 - INFO - moving on ...
-2024-12-03 16:57:58,167 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-03 16:57:58,168 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-03 16:57:58,168 - INFO - problem_instance short name: p2_0
-2024-12-03 16:57:58,168 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 16:57:58,169 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-03 16:57:58,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:57:58,171 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:57:58,171 - INFO - number of supporting files: 2
-2024-12-03 16:57:58,172 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-03 16:57:58,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-03 16:57:58,172 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-03 16:57:58,179 - INFO - number of entries in Hamiltonian_features.csv:  114
-2024-12-03 16:57:58,180 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-03 16:57:58,180 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-03 16:57:58,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-03 16:57:58,181 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 16:57:58,181 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-03 16:57:58,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:57:58,184 - INFO - number of orbitals:  118
-2024-12-03 16:57:58,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 16:57:58,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:57:58,185 - INFO - moving on ...
-2024-12-03 16:57:58,185 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-03 16:57:58,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:57:58,188 - INFO - number of orbitals:  68
-2024-12-03 16:57:58,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 16:57:58,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 16:57:58,189 - INFO - moving on ...
-2024-12-03 16:57:58,190 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-03 16:57:58,190 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-03 16:57:58,191 - INFO - problem_instance short name: Sc_0
-2024-12-03 16:57:58,192 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 16:57:58,192 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-03 16:57:58,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 16:57:58,194 - INFO - attempting to process the Hamiltonian...
-2024-12-03 16:57:58,194 - INFO - number of supporting files: 2
-2024-12-03 16:57:58,195 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-03 16:57:58,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-03 16:57:58,195 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-03 16:57:58,203 - INFO - number of entries in Hamiltonian_features.csv:  114
-2024-12-03 16:57:58,204 - INFO - did NOT find instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 in database.
-2024-12-03 16:57:58,204 - INFO - Processing instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 ...
-2024-12-03 16:57:58,205 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz...
-2024-12-03 16:57:58,247 - INFO - Connected (version 2.0, client 0)
-2024-12-03 16:57:58,754 - INFO - Authentication (publickey) successful!
-2024-12-03 16:57:58,768 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 16:57:59,241 - INFO - [chan 0] sftp session closed.
-2024-12-03 16:57:59,242 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 16:57:59,242 - INFO - decompressing file fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz...
-2024-12-03 16:57:59,578 - INFO - this script has been running for 6.93 hours.
-2024-12-03 16:57:59,578 - INFO - ===============================================
-2024-12-03 16:57:59,578 - INFO - calculating Hamiltonian features...
-2024-12-03 16:57:59,578 - INFO - reading data from fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154
-2024-12-03 16:58:01,869 - INFO - finished reading FCIDUMP data.
-2024-12-03 16:58:01,870 - INFO - data['NORB']: 54
-2024-12-03 16:58:01,870 - INFO - len(data['H1']): 54
-2024-12-03 16:58:01,870 - INFO - ao2mo.restore...
-2024-12-03 16:58:01,897 - INFO - done.
-2024-12-03 16:58:01,897 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 16:58:01,897 - INFO - done.
-2024-12-03 16:58:01,897 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 17:10:03,687 - INFO - done.
-2024-12-03 17:10:03,687 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 17:10:27,196 - INFO - done.
-2024-12-03 17:10:27,196 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 17:10:29,445 - INFO - done.
-2024-12-03 17:10:29,446 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 17:10:31,083 - INFO - done.
-2024-12-03 17:10:31,084 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 17:10:31,085 - INFO - done.
-2024-12-03 17:10:31,085 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 17:10:31,085 - INFO - done.
-2024-12-03 17:10:31,347 - INFO - Hamiltonian features calculation run time (seconds): 751.768898
-2024-12-03 17:10:31,348 - INFO - wrote df_eigs to file: df_eigs.9da0b1fb-c6a5-4da5-b390-3920e3c26154.bin
-2024-12-03 17:10:31,348 - INFO - deleting file fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-03 17:10:31,354 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 17:10:31,359 - INFO - this script has been running for 7.14 hours.
-2024-12-03 17:10:31,359 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-03 17:10:31,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-03 17:10:31,359 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 17:10:31,360 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-03 17:10:31,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,362 - INFO - number of orbitals:  135
-2024-12-03 17:10:31,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 17:10:31,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 17:10:31,363 - INFO - moving on ...
-2024-12-03 17:10:31,363 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-03 17:10:31,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,364 - INFO - number of orbitals:  88
-2024-12-03 17:10:31,365 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 17:10:31,365 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 17:10:31,365 - INFO - moving on ...
-2024-12-03 17:10:31,365 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-03 17:10:31,366 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-03 17:10:31,366 - INFO - problem_instance short name: c_o2_0
-2024-12-03 17:10:31,366 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 17:10:31,366 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-03 17:10:31,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,368 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,368 - INFO - number of supporting files: 2
-2024-12-03 17:10:31,369 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-03 17:10:31,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-03 17:10:31,369 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-03 17:10:31,376 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,377 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,377 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-03 17:10:31,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-03 17:10:31,378 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 17:10:31,378 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-03 17:10:31,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,380 - INFO - number of orbitals:  90
-2024-12-03 17:10:31,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 17:10:31,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 17:10:31,380 - INFO - moving on ...
-2024-12-03 17:10:31,380 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-03 17:10:31,380 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-03 17:10:31,380 - INFO - problem_instance short name: c_o_0
-2024-12-03 17:10:31,380 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 17:10:31,380 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-03 17:10:31,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,381 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,381 - INFO - number of supporting files: 2
-2024-12-03 17:10:31,382 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-03 17:10:31,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-03 17:10:31,382 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-03 17:10:31,388 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,388 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,388 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-03 17:10:31,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-03 17:10:31,389 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 17:10:31,389 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-03 17:10:31,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,390 - INFO - number of orbitals:  110
-2024-12-03 17:10:31,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 17:10:31,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 17:10:31,390 - INFO - moving on ...
-2024-12-03 17:10:31,390 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-03 17:10:31,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,391 - INFO - number of orbitals:  60
-2024-12-03 17:10:31,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 17:10:31,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 17:10:31,391 - INFO - moving on ...
-2024-12-03 17:10:31,392 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-03 17:10:31,392 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-03 17:10:31,392 - INFO - problem_instance short name: ru_macho
-2024-12-03 17:10:31,392 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 17:10:31,392 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-03 17:10:31,392 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 17:10:31,392 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 17:10:31,392 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 17:10:31,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,394 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,394 - INFO - number of supporting files: 1
-2024-12-03 17:10:31,394 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-03 17:10:31,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-03 17:10:31,394 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-03 17:10:31,401 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,401 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,401 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-03 17:10:31,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 17:10:31,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 17:10:31,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 17:10:31,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,404 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,404 - INFO - number of supporting files: 1
-2024-12-03 17:10:31,404 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-03 17:10:31,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-03 17:10:31,404 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-03 17:10:31,411 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,412 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,412 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-03 17:10:31,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 17:10:31,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 17:10:31,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 17:10:31,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,414 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,414 - INFO - number of supporting files: 1
-2024-12-03 17:10:31,414 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-03 17:10:31,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-03 17:10:31,414 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-03 17:10:31,421 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,422 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,422 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-03 17:10:31,422 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 17:10:31,422 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 17:10:31,422 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 17:10:31,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,424 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,424 - INFO - number of supporting files: 1
-2024-12-03 17:10:31,424 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-03 17:10:31,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-03 17:10:31,424 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-03 17:10:31,431 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,432 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,432 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-03 17:10:31,432 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 17:10:31,432 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 17:10:31,432 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 17:10:31,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,434 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,434 - INFO - number of supporting files: 1
-2024-12-03 17:10:31,434 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-03 17:10:31,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-03 17:10:31,434 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-03 17:10:31,441 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,442 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,442 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-03 17:10:31,442 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 17:10:31,442 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 17:10:31,442 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 17:10:31,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,444 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,444 - INFO - number of supporting files: 1
-2024-12-03 17:10:31,444 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-03 17:10:31,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-03 17:10:31,444 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-03 17:10:31,452 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,452 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,452 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-03 17:10:31,452 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 17:10:31,452 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 17:10:31,452 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 17:10:31,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,454 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,454 - INFO - number of supporting files: 1
-2024-12-03 17:10:31,454 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-03 17:10:31,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-03 17:10:31,454 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-03 17:10:31,461 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,462 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,462 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-03 17:10:31,462 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 17:10:31,462 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 17:10:31,462 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 17:10:31,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,464 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,464 - INFO - number of supporting files: 1
-2024-12-03 17:10:31,464 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-03 17:10:31,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-03 17:10:31,464 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-03 17:10:31,471 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,472 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,472 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-03 17:10:31,472 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 17:10:31,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 17:10:31,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 17:10:31,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,474 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,474 - INFO - number of supporting files: 1
-2024-12-03 17:10:31,474 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-03 17:10:31,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-03 17:10:31,474 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-03 17:10:31,481 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,481 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-03 17:10:31,481 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-03 17:10:31,482 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-03 17:10:31,482 - INFO - problem_instance short name: Fe_0
-2024-12-03 17:10:31,482 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 17:10:31,482 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-03 17:10:31,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:10:31,483 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:10:31,483 - INFO - number of supporting files: 2
-2024-12-03 17:10:31,483 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-03 17:10:31,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-03 17:10:31,483 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-03 17:10:31,490 - INFO - number of entries in Hamiltonian_features.csv:  115
-2024-12-03 17:10:31,491 - INFO - did NOT find instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 in database.
-2024-12-03 17:10:31,491 - INFO - Processing instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 ...
-2024-12-03 17:10:31,491 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz...
-2024-12-03 17:10:31,533 - INFO - Connected (version 2.0, client 0)
-2024-12-03 17:10:32,031 - INFO - Authentication (publickey) successful!
-2024-12-03 17:10:32,047 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 17:10:34,499 - INFO - [chan 0] sftp session closed.
-2024-12-03 17:10:34,499 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 17:10:34,499 - INFO - decompressing file fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz...
-2024-12-03 17:10:35,130 - INFO - this script has been running for 7.14 hours.
-2024-12-03 17:10:35,130 - INFO - ===============================================
-2024-12-03 17:10:35,130 - INFO - calculating Hamiltonian features...
-2024-12-03 17:10:35,130 - INFO - reading data from fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3
-2024-12-03 17:10:40,133 - INFO - finished reading FCIDUMP data.
-2024-12-03 17:10:40,133 - INFO - data['NORB']: 54
-2024-12-03 17:10:40,133 - INFO - len(data['H1']): 54
-2024-12-03 17:10:40,133 - INFO - ao2mo.restore...
-2024-12-03 17:10:40,159 - INFO - done.
-2024-12-03 17:10:40,159 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 17:10:40,159 - INFO - done.
-2024-12-03 17:10:40,159 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 17:41:54,670 - INFO - done.
-2024-12-03 17:41:54,670 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 17:43:14,762 - INFO - done.
-2024-12-03 17:43:14,763 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 17:43:24,042 - INFO - done.
-2024-12-03 17:43:24,042 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 17:43:25,652 - INFO - done.
-2024-12-03 17:43:25,652 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 17:43:25,653 - INFO - done.
-2024-12-03 17:43:25,654 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 17:43:25,655 - INFO - done.
-2024-12-03 17:43:26,653 - INFO - Hamiltonian features calculation run time (seconds): 1971.522489
-2024-12-03 17:43:26,654 - INFO - wrote df_eigs to file: df_eigs.133ec573-3d06-4582-b2f5-8afe8be8dbe3.bin
-2024-12-03 17:43:26,655 - INFO - deleting file fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-03 17:43:26,670 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 17:43:26,676 - INFO - this script has been running for 7.69 hours.
-2024-12-03 17:43:26,676 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-03 17:43:26,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-03 17:43:26,677 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 17:43:26,677 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-03 17:43:26,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:43:26,679 - INFO - number of orbitals:  88
-2024-12-03 17:43:26,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 17:43:26,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 17:43:26,680 - INFO - moving on ...
-2024-12-03 17:43:26,680 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-03 17:43:26,681 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-03 17:43:26,681 - INFO - problem_instance short name: be_0
-2024-12-03 17:43:26,681 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 17:43:26,681 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-03 17:43:26,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:43:26,684 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:43:26,684 - INFO - number of supporting files: 2
-2024-12-03 17:43:26,684 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-03 17:43:26,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-03 17:43:26,685 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-03 17:43:26,692 - INFO - number of entries in Hamiltonian_features.csv:  116
-2024-12-03 17:43:26,693 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-03 17:43:26,693 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-03 17:43:26,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-03 17:43:26,694 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 17:43:26,694 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-03 17:43:26,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 17:43:26,696 - INFO - attempting to process the Hamiltonian...
-2024-12-03 17:43:26,696 - INFO - number of supporting files: 2
-2024-12-03 17:43:26,696 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-03 17:43:26,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-03 17:43:26,697 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-03 17:43:26,705 - INFO - number of entries in Hamiltonian_features.csv:  116
-2024-12-03 17:43:26,706 - INFO - did NOT find instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb in database.
-2024-12-03 17:43:26,706 - INFO - Processing instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb ...
-2024-12-03 17:43:26,706 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz...
-2024-12-03 17:43:26,749 - INFO - Connected (version 2.0, client 0)
-2024-12-03 17:43:27,249 - INFO - Authentication (publickey) successful!
-2024-12-03 17:43:27,265 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 17:43:28,026 - INFO - [chan 0] sftp session closed.
-2024-12-03 17:43:28,027 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 17:43:28,027 - INFO - decompressing file fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz...
-2024-12-03 17:43:28,391 - INFO - this script has been running for 7.69 hours.
-2024-12-03 17:43:28,391 - INFO - ===============================================
-2024-12-03 17:43:28,391 - INFO - calculating Hamiltonian features...
-2024-12-03 17:43:28,391 - INFO - reading data from fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb
-2024-12-03 17:43:30,937 - INFO - finished reading FCIDUMP data.
-2024-12-03 17:43:30,937 - INFO - data['NORB']: 55
-2024-12-03 17:43:30,937 - INFO - len(data['H1']): 55
-2024-12-03 17:43:30,937 - INFO - ao2mo.restore...
-2024-12-03 17:43:30,967 - INFO - done.
-2024-12-03 17:43:30,967 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 17:43:30,968 - INFO - done.
-2024-12-03 17:43:30,968 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 18:01:09,211 - INFO - done.
-2024-12-03 18:01:09,212 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 18:02:38,228 - INFO - done.
-2024-12-03 18:02:38,228 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 18:02:47,557 - INFO - done.
-2024-12-03 18:02:47,558 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 18:02:49,388 - INFO - done.
-2024-12-03 18:02:49,388 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 18:02:49,388 - INFO - done.
-2024-12-03 18:02:49,389 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 18:02:49,389 - INFO - done.
-2024-12-03 18:02:50,144 - INFO - Hamiltonian features calculation run time (seconds): 1161.752586
-2024-12-03 18:02:50,145 - INFO - wrote df_eigs to file: df_eigs.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.bin
-2024-12-03 18:02:50,145 - INFO - deleting file fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-03 18:02:50,152 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 18:02:50,157 - INFO - this script has been running for 8.01 hours.
-2024-12-03 18:02:50,157 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-03 18:02:50,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-03 18:02:50,158 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:02:50,158 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-03 18:02:50,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,160 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:02:50,160 - INFO - number of supporting files: 2
-2024-12-03 18:02:50,161 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-03 18:02:50,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-03 18:02:50,161 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-03 18:02:50,168 - INFO - number of entries in Hamiltonian_features.csv:  117
-2024-12-03 18:02:50,169 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-03 18:02:50,169 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-03 18:02:50,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-03 18:02:50,170 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:02:50,170 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-03 18:02:50,170 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-03 18:02:50,171 - INFO - problem_instance short name: h2_o_0
-2024-12-03 18:02:50,171 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 18:02:50,171 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-03 18:02:50,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,173 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:02:50,173 - INFO - number of supporting files: 2
-2024-12-03 18:02:50,173 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-03 18:02:50,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-03 18:02:50,174 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-03 18:02:50,182 - INFO - number of entries in Hamiltonian_features.csv:  117
-2024-12-03 18:02:50,182 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-03 18:02:50,182 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-03 18:02:50,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-03 18:02:50,183 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:02:50,183 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-03 18:02:50,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,185 - INFO - number of orbitals:  115
-2024-12-03 18:02:50,185 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:02:50,186 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:02:50,186 - INFO - moving on ...
-2024-12-03 18:02:50,186 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-03 18:02:50,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,188 - INFO - number of orbitals:  58
-2024-12-03 18:02:50,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:02:50,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:02:50,189 - INFO - moving on ...
-2024-12-03 18:02:50,189 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-03 18:02:50,189 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-03 18:02:50,189 - INFO - problem_instance short name: planted_solution_0011
-2024-12-03 18:02:50,190 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:02:50,190 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-03 18:02:50,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,192 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:02:50,192 - INFO - number of supporting files: 1
-2024-12-03 18:02:50,192 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-03 18:02:50,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-03 18:02:50,193 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-03 18:02:50,200 - INFO - number of entries in Hamiltonian_features.csv:  117
-2024-12-03 18:02:50,201 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-03 18:02:50,201 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-03 18:02:50,201 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-03 18:02:50,201 - INFO - problem_instance short name: cl2_0
-2024-12-03 18:02:50,202 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 18:02:50,202 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-03 18:02:50,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,204 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:02:50,204 - INFO - number of supporting files: 2
-2024-12-03 18:02:50,204 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-03 18:02:50,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-03 18:02:50,205 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-03 18:02:50,211 - INFO - number of entries in Hamiltonian_features.csv:  117
-2024-12-03 18:02:50,212 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-03 18:02:50,212 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-03 18:02:50,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-03 18:02:50,213 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:02:50,213 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-03 18:02:50,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,215 - INFO - number of orbitals:  118
-2024-12-03 18:02:50,215 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:02:50,215 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:02:50,215 - INFO - moving on ...
-2024-12-03 18:02:50,216 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-03 18:02:50,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,217 - INFO - number of orbitals:  68
-2024-12-03 18:02:50,218 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:02:50,218 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:02:50,218 - INFO - moving on ...
-2024-12-03 18:02:50,218 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-03 18:02:50,219 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-03 18:02:50,219 - INFO - problem_instance short name: benzene
-2024-12-03 18:02:50,219 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 18:02:50,219 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-03 18:02:50,220 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 18:02:50,220 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 18:02:50,220 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 18:02:50,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,222 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:02:50,222 - INFO - number of supporting files: 1
-2024-12-03 18:02:50,222 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-03 18:02:50,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-03 18:02:50,222 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-03 18:02:50,229 - INFO - number of entries in Hamiltonian_features.csv:  117
-2024-12-03 18:02:50,229 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-03 18:02:50,230 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-03 18:02:50,230 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 18:02:50,230 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 18:02:50,230 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 18:02:50,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,231 - INFO - number of orbitals:  108
-2024-12-03 18:02:50,232 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:02:50,232 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:02:50,232 - INFO - moving on ...
-2024-12-03 18:02:50,232 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-03 18:02:50,232 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-03 18:02:50,232 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-03 18:02:50,232 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:02:50,232 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-03 18:02:50,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:02:50,233 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:02:50,233 - INFO - number of supporting files: 2
-2024-12-03 18:02:50,233 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-03 18:02:50,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-03 18:02:50,233 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-03 18:02:50,240 - INFO - number of entries in Hamiltonian_features.csv:  117
-2024-12-03 18:02:50,240 - INFO - did NOT find instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c in database.
-2024-12-03 18:02:50,240 - INFO - Processing instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c ...
-2024-12-03 18:02:50,240 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz...
-2024-12-03 18:02:50,283 - INFO - Connected (version 2.0, client 0)
-2024-12-03 18:02:50,798 - INFO - Authentication (publickey) successful!
-2024-12-03 18:02:50,812 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 18:02:51,738 - INFO - [chan 0] sftp session closed.
-2024-12-03 18:02:51,738 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 18:02:51,738 - INFO - decompressing file fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz...
-2024-12-03 18:02:52,113 - INFO - this script has been running for 8.01 hours.
-2024-12-03 18:02:52,113 - INFO - ===============================================
-2024-12-03 18:02:52,113 - INFO - calculating Hamiltonian features...
-2024-12-03 18:02:52,113 - INFO - reading data from fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c
-2024-12-03 18:02:54,742 - INFO - finished reading FCIDUMP data.
-2024-12-03 18:02:54,742 - INFO - data['NORB']: 52
-2024-12-03 18:02:54,742 - INFO - len(data['H1']): 52
-2024-12-03 18:02:54,742 - INFO - ao2mo.restore...
-2024-12-03 18:02:54,763 - INFO - done.
-2024-12-03 18:02:54,764 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 18:02:54,764 - INFO - done.
-2024-12-03 18:02:54,764 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 18:20:10,701 - INFO - done.
-2024-12-03 18:20:10,701 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 18:21:27,402 - INFO - done.
-2024-12-03 18:21:27,402 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 18:21:35,743 - INFO - done.
-2024-12-03 18:21:35,743 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 18:21:37,066 - INFO - done.
-2024-12-03 18:21:37,067 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 18:21:37,068 - INFO - done.
-2024-12-03 18:21:37,069 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 18:21:37,069 - INFO - done.
-2024-12-03 18:21:37,859 - INFO - Hamiltonian features calculation run time (seconds): 1125.745629
-2024-12-03 18:21:37,861 - INFO - wrote df_eigs to file: df_eigs.65a71ea2-097e-472c-b96a-13ddf6a0962c.bin
-2024-12-03 18:21:37,862 - INFO - deleting file fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-03 18:21:37,869 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 18:21:37,874 - INFO - this script has been running for 8.33 hours.
-2024-12-03 18:21:37,875 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-03 18:21:37,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-03 18:21:37,876 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:21:37,876 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-03 18:21:37,877 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-03 18:21:37,877 - INFO - problem_instance short name: FeO_0
-2024-12-03 18:21:37,878 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:21:37,878 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-03 18:21:37,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:21:37,881 - INFO - number of orbitals:  76
-2024-12-03 18:21:37,881 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:21:37,881 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:21:37,882 - INFO - moving on ...
-2024-12-03 18:21:37,882 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-03 18:21:37,883 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-03 18:21:37,883 - INFO - problem_instance short name: planted_solution_0002
-2024-12-03 18:21:37,883 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:21:37,883 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-03 18:21:37,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:21:37,885 - INFO - number of orbitals:  69
-2024-12-03 18:21:37,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:21:37,885 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:21:37,885 - INFO - moving on ...
-2024-12-03 18:21:37,885 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-03 18:21:37,885 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-03 18:21:37,885 - INFO - problem_instance short name: V_0
-2024-12-03 18:21:37,885 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 18:21:37,885 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-03 18:21:37,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:21:37,887 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:21:37,887 - INFO - number of supporting files: 2
-2024-12-03 18:21:37,887 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-03 18:21:37,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-03 18:21:37,887 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-03 18:21:37,894 - INFO - number of entries in Hamiltonian_features.csv:  118
-2024-12-03 18:21:37,894 - INFO - did NOT find instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a in database.
-2024-12-03 18:21:37,894 - INFO - Processing instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a ...
-2024-12-03 18:21:37,894 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz...
-2024-12-03 18:21:37,941 - INFO - Connected (version 2.0, client 0)
-2024-12-03 18:21:38,504 - INFO - Authentication (publickey) successful!
-2024-12-03 18:21:38,531 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 18:21:39,575 - INFO - [chan 0] sftp session closed.
-2024-12-03 18:21:39,575 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 18:21:39,575 - INFO - decompressing file fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz...
-2024-12-03 18:21:39,976 - INFO - this script has been running for 8.33 hours.
-2024-12-03 18:21:39,976 - INFO - ===============================================
-2024-12-03 18:21:39,976 - INFO - calculating Hamiltonian features...
-2024-12-03 18:21:39,976 - INFO - reading data from fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a
-2024-12-03 18:21:42,931 - INFO - finished reading FCIDUMP data.
-2024-12-03 18:21:42,931 - INFO - data['NORB']: 54
-2024-12-03 18:21:42,931 - INFO - len(data['H1']): 54
-2024-12-03 18:21:42,931 - INFO - ao2mo.restore...
-2024-12-03 18:21:42,955 - INFO - done.
-2024-12-03 18:21:42,955 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 18:21:42,955 - INFO - done.
-2024-12-03 18:21:42,955 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 18:41:28,267 - INFO - done.
-2024-12-03 18:41:28,268 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 18:42:52,610 - INFO - done.
-2024-12-03 18:42:52,610 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 18:43:01,809 - INFO - done.
-2024-12-03 18:43:01,809 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 18:43:03,413 - INFO - done.
-2024-12-03 18:43:03,414 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 18:43:03,415 - INFO - done.
-2024-12-03 18:43:03,415 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 18:43:03,416 - INFO - done.
-2024-12-03 18:43:04,171 - INFO - Hamiltonian features calculation run time (seconds): 1284.194642
-2024-12-03 18:43:04,172 - INFO - wrote df_eigs to file: df_eigs.950e31e2-142f-480b-b0d1-174381bdb64a.bin
-2024-12-03 18:43:04,173 - INFO - deleting file fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-03 18:43:04,180 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 18:43:04,186 - INFO - this script has been running for 8.68 hours.
-2024-12-03 18:43:04,186 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-03 18:43:04,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-03 18:43:04,187 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:43:04,187 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-03 18:43:04,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:43:04,190 - INFO - number of orbitals:  88
-2024-12-03 18:43:04,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:43:04,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:43:04,191 - INFO - moving on ...
-2024-12-03 18:43:04,191 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-03 18:43:04,192 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-03 18:43:04,192 - INFO - problem_instance short name: Sc_1
-2024-12-03 18:43:04,192 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 18:43:04,193 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-03 18:43:04,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:43:04,195 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:43:04,195 - INFO - number of supporting files: 2
-2024-12-03 18:43:04,195 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-03 18:43:04,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-03 18:43:04,196 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-03 18:43:04,203 - INFO - number of entries in Hamiltonian_features.csv:  119
-2024-12-03 18:43:04,203 - INFO - did NOT find instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 in database.
-2024-12-03 18:43:04,204 - INFO - Processing instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 ...
-2024-12-03 18:43:04,204 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz...
-2024-12-03 18:43:04,248 - INFO - Connected (version 2.0, client 0)
-2024-12-03 18:43:04,789 - INFO - Authentication (publickey) successful!
-2024-12-03 18:43:04,810 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 18:43:05,138 - INFO - [chan 0] sftp session closed.
-2024-12-03 18:43:05,139 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 18:43:05,139 - INFO - decompressing file fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz...
-2024-12-03 18:43:05,328 - INFO - this script has been running for 8.68 hours.
-2024-12-03 18:43:05,329 - INFO - ===============================================
-2024-12-03 18:43:05,329 - INFO - calculating Hamiltonian features...
-2024-12-03 18:43:05,329 - INFO - reading data from fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3
-2024-12-03 18:43:06,887 - INFO - finished reading FCIDUMP data.
-2024-12-03 18:43:06,887 - INFO - data['NORB']: 54
-2024-12-03 18:43:06,887 - INFO - len(data['H1']): 54
-2024-12-03 18:43:06,888 - INFO - ao2mo.restore...
-2024-12-03 18:43:06,913 - INFO - done.
-2024-12-03 18:43:06,913 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 18:43:06,913 - INFO - done.
-2024-12-03 18:43:06,913 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 18:50:45,611 - INFO - done.
-2024-12-03 18:50:45,611 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 18:51:07,478 - INFO - done.
-2024-12-03 18:51:07,478 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 18:51:09,493 - INFO - done.
-2024-12-03 18:51:09,493 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 18:51:11,034 - INFO - done.
-2024-12-03 18:51:11,034 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 18:51:11,035 - INFO - done.
-2024-12-03 18:51:11,036 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 18:51:11,036 - INFO - done.
-2024-12-03 18:51:11,274 - INFO - Hamiltonian features calculation run time (seconds): 485.945648
-2024-12-03 18:51:11,276 - INFO - wrote df_eigs to file: df_eigs.75228927-fac3-4caf-9e09-1fdfe51098a3.bin
-2024-12-03 18:51:11,277 - INFO - deleting file fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-03 18:51:11,281 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 18:51:11,287 - INFO - this script has been running for 8.82 hours.
-2024-12-03 18:51:11,287 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-03 18:51:11,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-03 18:51:11,287 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:51:11,288 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-03 18:51:11,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,289 - INFO - number of orbitals:  135
-2024-12-03 18:51:11,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:51:11,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:51:11,289 - INFO - moving on ...
-2024-12-03 18:51:11,289 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-03 18:51:11,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,290 - INFO - number of orbitals:  88
-2024-12-03 18:51:11,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:51:11,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:51:11,291 - INFO - moving on ...
-2024-12-03 18:51:11,291 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-03 18:51:11,291 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-03 18:51:11,291 - INFO - problem_instance short name: planted_solution_0007
-2024-12-03 18:51:11,291 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,291 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-03 18:51:11,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,292 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,292 - INFO - number of supporting files: 1
-2024-12-03 18:51:11,292 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-03 18:51:11,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-03 18:51:11,292 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-03 18:51:11,300 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,300 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,300 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-03 18:51:11,300 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-03 18:51:11,300 - INFO - problem_instance short name: planted_solution_0010
-2024-12-03 18:51:11,300 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,300 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-03 18:51:11,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,302 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,302 - INFO - number of supporting files: 1
-2024-12-03 18:51:11,302 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-03 18:51:11,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-03 18:51:11,302 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-03 18:51:11,309 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,309 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,309 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-03 18:51:11,310 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-03 18:51:11,310 - INFO - problem_instance short name: MnO_0
-2024-12-03 18:51:11,310 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,310 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-03 18:51:11,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,311 - INFO - number of orbitals:  76
-2024-12-03 18:51:11,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:51:11,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:51:11,311 - INFO - moving on ...
-2024-12-03 18:51:11,311 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-03 18:51:11,311 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-03 18:51:11,311 - INFO - problem_instance short name: h2_o2_0
-2024-12-03 18:51:11,311 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,311 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-03 18:51:11,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,313 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,313 - INFO - number of supporting files: 2
-2024-12-03 18:51:11,313 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-03 18:51:11,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-03 18:51:11,313 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-03 18:51:11,320 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,320 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,320 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-03 18:51:11,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-03 18:51:11,320 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:51:11,321 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-03 18:51:11,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,322 - INFO - number of orbitals:  88
-2024-12-03 18:51:11,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:51:11,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:51:11,322 - INFO - moving on ...
-2024-12-03 18:51:11,322 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-03 18:51:11,322 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-03 18:51:11,322 - INFO - problem_instance short name: planted_solution_0008
-2024-12-03 18:51:11,322 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,322 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-03 18:51:11,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,323 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,323 - INFO - number of supporting files: 1
-2024-12-03 18:51:11,323 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-03 18:51:11,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-03 18:51:11,324 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-03 18:51:11,330 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,331 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,331 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-03 18:51:11,331 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-03 18:51:11,331 - INFO - problem_instance short name: c2_h6_0
-2024-12-03 18:51:11,331 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,331 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-03 18:51:11,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,332 - INFO - number of orbitals:  58
-2024-12-03 18:51:11,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:51:11,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:51:11,333 - INFO - moving on ...
-2024-12-03 18:51:11,333 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-03 18:51:11,333 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-03 18:51:11,333 - INFO - problem_instance short name: h_c_n_0
-2024-12-03 18:51:11,333 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,333 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-03 18:51:11,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,334 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,334 - INFO - number of supporting files: 2
-2024-12-03 18:51:11,334 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-03 18:51:11,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-03 18:51:11,334 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-03 18:51:11,342 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,342 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,342 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-03 18:51:11,342 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-03 18:51:11,342 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:51:11,342 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-03 18:51:11,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,344 - INFO - number of orbitals:  74
-2024-12-03 18:51:11,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:51:11,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:51:11,344 - INFO - moving on ...
-2024-12-03 18:51:11,344 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-03 18:51:11,344 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-03 18:51:11,344 - INFO - problem_instance short name: planted_solution_0003
-2024-12-03 18:51:11,344 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,344 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-03 18:51:11,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,345 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,345 - INFO - number of supporting files: 1
-2024-12-03 18:51:11,345 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-03 18:51:11,345 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-03 18:51:11,345 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-03 18:51:11,352 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,353 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,353 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-03 18:51:11,353 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-03 18:51:11,353 - INFO - problem_instance short name: mo_n2
-2024-12-03 18:51:11,353 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,353 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-03 18:51:11,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 18:51:11,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 18:51:11,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 18:51:11,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,355 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,355 - INFO - number of supporting files: 1
-2024-12-03 18:51:11,355 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-03 18:51:11,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-03 18:51:11,355 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-03 18:51:11,363 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,363 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,363 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-03 18:51:11,363 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 18:51:11,363 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 18:51:11,363 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 18:51:11,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,365 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,365 - INFO - number of supporting files: 1
-2024-12-03 18:51:11,365 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-03 18:51:11,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-03 18:51:11,365 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-03 18:51:11,372 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,373 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,373 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-03 18:51:11,373 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 18:51:11,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 18:51:11,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 18:51:11,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,375 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,375 - INFO - number of supporting files: 1
-2024-12-03 18:51:11,375 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-03 18:51:11,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-03 18:51:11,375 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-03 18:51:11,382 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,382 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,382 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-03 18:51:11,382 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 18:51:11,383 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 18:51:11,383 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 18:51:11,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,384 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,384 - INFO - number of supporting files: 1
-2024-12-03 18:51:11,384 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-03 18:51:11,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-03 18:51:11,385 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-03 18:51:11,392 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,392 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,392 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-03 18:51:11,393 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-03 18:51:11,393 - INFO - problem_instance short name: f2_0
-2024-12-03 18:51:11,393 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,393 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-03 18:51:11,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,394 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,394 - INFO - number of supporting files: 2
-2024-12-03 18:51:11,394 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-03 18:51:11,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-03 18:51:11,394 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-03 18:51:11,401 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,402 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-03 18:51:11,402 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-03 18:51:11,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-03 18:51:11,402 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 18:51:11,402 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-03 18:51:11,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,403 - INFO - number of orbitals:  110
-2024-12-03 18:51:11,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:51:11,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:51:11,403 - INFO - moving on ...
-2024-12-03 18:51:11,403 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-03 18:51:11,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,405 - INFO - number of orbitals:  60
-2024-12-03 18:51:11,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 18:51:11,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 18:51:11,405 - INFO - moving on ...
-2024-12-03 18:51:11,405 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-03 18:51:11,405 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-03 18:51:11,405 - INFO - problem_instance short name: Cu_0
-2024-12-03 18:51:11,405 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 18:51:11,405 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-03 18:51:11,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 18:51:11,406 - INFO - attempting to process the Hamiltonian...
-2024-12-03 18:51:11,406 - INFO - number of supporting files: 2
-2024-12-03 18:51:11,406 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-03 18:51:11,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-03 18:51:11,406 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-03 18:51:11,414 - INFO - number of entries in Hamiltonian_features.csv:  120
-2024-12-03 18:51:11,414 - INFO - did NOT find instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 in database.
-2024-12-03 18:51:11,414 - INFO - Processing instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 ...
-2024-12-03 18:51:11,414 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz...
-2024-12-03 18:51:11,460 - INFO - Connected (version 2.0, client 0)
-2024-12-03 18:51:12,108 - INFO - Authentication (publickey) successful!
-2024-12-03 18:51:12,128 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 18:51:12,701 - INFO - [chan 0] sftp session closed.
-2024-12-03 18:51:12,702 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 18:51:12,702 - INFO - decompressing file fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz...
-2024-12-03 18:51:13,066 - INFO - this script has been running for 8.82 hours.
-2024-12-03 18:51:13,066 - INFO - ===============================================
-2024-12-03 18:51:13,067 - INFO - calculating Hamiltonian features...
-2024-12-03 18:51:13,067 - INFO - reading data from fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258
-2024-12-03 18:51:15,363 - INFO - finished reading FCIDUMP data.
-2024-12-03 18:51:15,363 - INFO - data['NORB']: 54
-2024-12-03 18:51:15,363 - INFO - len(data['H1']): 54
-2024-12-03 18:51:15,363 - INFO - ao2mo.restore...
-2024-12-03 18:51:15,387 - INFO - done.
-2024-12-03 18:51:15,387 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 18:51:15,387 - INFO - done.
-2024-12-03 18:51:15,387 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 19:08:01,046 - INFO - done.
-2024-12-03 19:08:01,046 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 19:09:26,958 - INFO - done.
-2024-12-03 19:09:26,958 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 19:09:36,582 - INFO - done.
-2024-12-03 19:09:36,582 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 19:09:38,100 - INFO - done.
-2024-12-03 19:09:38,100 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 19:09:38,100 - INFO - done.
-2024-12-03 19:09:38,101 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 19:09:38,101 - INFO - done.
-2024-12-03 19:09:38,789 - INFO - Hamiltonian features calculation run time (seconds): 1105.721985
-2024-12-03 19:09:38,789 - INFO - wrote df_eigs to file: df_eigs.48434e2f-f09e-474e-b98c-af180386a258.bin
-2024-12-03 19:09:38,789 - INFO - deleting file fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-03 19:09:38,794 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 19:09:38,799 - INFO - this script has been running for 9.13 hours.
-2024-12-03 19:09:38,799 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-03 19:09:38,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-03 19:09:38,799 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 19:09:38,799 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-03 19:09:38,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,801 - INFO - number of orbitals:  88
-2024-12-03 19:09:38,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:09:38,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:09:38,801 - INFO - moving on ...
-2024-12-03 19:09:38,801 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-03 19:09:38,801 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-03 19:09:38,801 - INFO - problem_instance short name: h_o_cl_0
-2024-12-03 19:09:38,801 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 19:09:38,801 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-03 19:09:38,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,802 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,802 - INFO - number of supporting files: 2
-2024-12-03 19:09:38,802 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-03 19:09:38,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-03 19:09:38,802 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-03 19:09:38,809 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,809 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,810 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-03 19:09:38,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-03 19:09:38,810 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 19:09:38,810 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-03 19:09:38,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,811 - INFO - number of orbitals:  78
-2024-12-03 19:09:38,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:09:38,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:09:38,811 - INFO - moving on ...
-2024-12-03 19:09:38,811 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-03 19:09:38,811 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-03 19:09:38,811 - INFO - problem_instance short name: ru_mono
-2024-12-03 19:09:38,811 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 19:09:38,811 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-03 19:09:38,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,813 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,813 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,813 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-03 19:09:38,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-03 19:09:38,813 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-03 19:09:38,820 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,820 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,820 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-03 19:09:38,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,820 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,822 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,822 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,822 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-03 19:09:38,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-03 19:09:38,822 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-03 19:09:38,828 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,828 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,829 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-03 19:09:38,829 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,829 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,829 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,830 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,830 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,830 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-03 19:09:38,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-03 19:09:38,830 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-03 19:09:38,837 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,837 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,837 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-03 19:09:38,837 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,837 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,837 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,839 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,839 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,839 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-03 19:09:38,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-03 19:09:38,839 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-03 19:09:38,845 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,846 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,846 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-03 19:09:38,846 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,846 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,846 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,847 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,848 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,848 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-03 19:09:38,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-03 19:09:38,848 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-03 19:09:38,854 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,855 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,855 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-03 19:09:38,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,855 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,855 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,857 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,857 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,857 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-03 19:09:38,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-03 19:09:38,857 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-03 19:09:38,864 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,865 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,865 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-03 19:09:38,865 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-03 19:09:38,865 - INFO - problem_instance short name: si_h4_0
-2024-12-03 19:09:38,865 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 19:09:38,865 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-03 19:09:38,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,866 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,867 - INFO - number of supporting files: 2
-2024-12-03 19:09:38,867 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-03 19:09:38,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-03 19:09:38,867 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-03 19:09:38,874 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,874 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,874 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-03 19:09:38,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-03 19:09:38,874 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 19:09:38,874 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-03 19:09:38,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,876 - INFO - number of orbitals:  90
-2024-12-03 19:09:38,876 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:09:38,876 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:09:38,876 - INFO - moving on ...
-2024-12-03 19:09:38,876 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-03 19:09:38,876 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-03 19:09:38,876 - INFO - problem_instance short name: n_h3_0
-2024-12-03 19:09:38,876 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 19:09:38,876 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-03 19:09:38,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,877 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,877 - INFO - number of supporting files: 2
-2024-12-03 19:09:38,877 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-03 19:09:38,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-03 19:09:38,877 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-03 19:09:38,884 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,885 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,885 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-03 19:09:38,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-03 19:09:38,885 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 19:09:38,885 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-03 19:09:38,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,886 - INFO - number of orbitals:  72
-2024-12-03 19:09:38,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:09:38,886 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:09:38,886 - INFO - moving on ...
-2024-12-03 19:09:38,886 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-03 19:09:38,886 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-03 19:09:38,886 - INFO - problem_instance short name: blue_dimer
-2024-12-03 19:09:38,887 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-03 19:09:38,887 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-03 19:09:38,887 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,887 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,887 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,888 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,888 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,888 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-03 19:09:38,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-03 19:09:38,888 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-03 19:09:38,895 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,895 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,895 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-03 19:09:38,895 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,895 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,895 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,897 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,897 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,897 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-03 19:09:38,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-03 19:09:38,897 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-03 19:09:38,904 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,904 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,904 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-03 19:09:38,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,906 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,906 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,906 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-03 19:09:38,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-03 19:09:38,906 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-03 19:09:38,913 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,913 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,913 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-03 19:09:38,913 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,913 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,913 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,915 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,915 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,915 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-03 19:09:38,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-03 19:09:38,915 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-03 19:09:38,921 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,922 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,922 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-03 19:09:38,922 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,922 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,922 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,924 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,924 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,924 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-03 19:09:38,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-03 19:09:38,924 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-03 19:09:38,930 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,930 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,931 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-03 19:09:38,931 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,931 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,931 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,932 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,932 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,932 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-03 19:09:38,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-03 19:09:38,932 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-03 19:09:38,938 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,939 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,939 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-03 19:09:38,939 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,939 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,939 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,940 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,940 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,940 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-03 19:09:38,940 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-03 19:09:38,941 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-03 19:09:38,947 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,947 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,947 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-03 19:09:38,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,947 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,949 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,949 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,949 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-03 19:09:38,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-03 19:09:38,949 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-03 19:09:38,955 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,956 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,956 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-03 19:09:38,956 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,956 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,956 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,957 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,958 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,958 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-03 19:09:38,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-03 19:09:38,958 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-03 19:09:38,964 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,965 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,965 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-03 19:09:38,965 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,965 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,965 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,966 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,966 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,967 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-03 19:09:38,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-03 19:09:38,967 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-03 19:09:38,973 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,973 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,973 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-03 19:09:38,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,974 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,975 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,975 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,975 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-03 19:09:38,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-03 19:09:38,975 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-03 19:09:38,982 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,982 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,982 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-03 19:09:38,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:38,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:38,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:38,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,984 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,984 - INFO - number of supporting files: 1
-2024-12-03 19:09:38,984 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-03 19:09:38,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-03 19:09:38,984 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-03 19:09:38,991 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:38,991 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-03 19:09:38,991 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-03 19:09:38,991 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-03 19:09:38,991 - INFO - problem_instance short name: O_1
-2024-12-03 19:09:38,991 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 19:09:38,991 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-03 19:09:38,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:38,993 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:38,993 - INFO - number of supporting files: 2
-2024-12-03 19:09:38,993 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-03 19:09:38,993 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-03 19:09:38,993 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-03 19:09:39,000 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:39,001 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-03 19:09:39,001 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-03 19:09:39,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-03 19:09:39,001 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 19:09:39,001 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-03 19:09:39,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,002 - INFO - number of orbitals:  79
-2024-12-03 19:09:39,002 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:09:39,002 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:09:39,002 - INFO - moving on ...
-2024-12-03 19:09:39,002 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-03 19:09:39,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,003 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:39,004 - INFO - number of supporting files: 2
-2024-12-03 19:09:39,004 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-03 19:09:39,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-03 19:09:39,004 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-03 19:09:39,011 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:39,011 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-03 19:09:39,011 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-03 19:09:39,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-03 19:09:39,011 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 19:09:39,011 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-03 19:09:39,011 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-03 19:09:39,011 - INFO - problem_instance short name: c2_h2_0
-2024-12-03 19:09:39,011 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 19:09:39,012 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-03 19:09:39,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,013 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:39,013 - INFO - number of supporting files: 2
-2024-12-03 19:09:39,013 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-03 19:09:39,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-03 19:09:39,013 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-03 19:09:39,020 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:39,020 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-03 19:09:39,021 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-03 19:09:39,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-03 19:09:39,021 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 19:09:39,021 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-03 19:09:39,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,022 - INFO - number of orbitals:  88
-2024-12-03 19:09:39,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:09:39,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:09:39,022 - INFO - moving on ...
-2024-12-03 19:09:39,022 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-03 19:09:39,022 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-03 19:09:39,022 - INFO - problem_instance short name: si2_h6_0
-2024-12-03 19:09:39,022 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 19:09:39,022 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-03 19:09:39,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,023 - INFO - number of orbitals:  66
-2024-12-03 19:09:39,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:09:39,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:09:39,024 - INFO - moving on ...
-2024-12-03 19:09:39,024 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-03 19:09:39,024 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-03 19:09:39,024 - INFO - problem_instance short name: planted_solution_0006
-2024-12-03 19:09:39,024 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 19:09:39,024 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-03 19:09:39,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,025 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:39,025 - INFO - number of supporting files: 1
-2024-12-03 19:09:39,025 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-03 19:09:39,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-03 19:09:39,025 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-03 19:09:39,032 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:39,032 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-03 19:09:39,032 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-03 19:09:39,033 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-03 19:09:39,033 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-03 19:09:39,033 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 19:09:39,033 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-03 19:09:39,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,034 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:39,034 - INFO - number of supporting files: 2
-2024-12-03 19:09:39,034 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-03 19:09:39,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-03 19:09:39,034 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-03 19:09:39,041 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:39,041 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-03 19:09:39,041 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-03 19:09:39,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-03 19:09:39,041 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 19:09:39,041 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-03 19:09:39,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,042 - INFO - number of orbitals:  119
-2024-12-03 19:09:39,042 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:09:39,042 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:09:39,043 - INFO - moving on ...
-2024-12-03 19:09:39,043 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-03 19:09:39,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,044 - INFO - number of orbitals:  62
-2024-12-03 19:09:39,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:09:39,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:09:39,044 - INFO - moving on ...
-2024-12-03 19:09:39,044 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-03 19:09:39,044 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-03 19:09:39,044 - INFO - problem_instance short name: fe_red
-2024-12-03 19:09:39,044 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-03 19:09:39,044 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-03 19:09:39,044 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:39,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:39,044 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:39,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,046 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:39,046 - INFO - number of supporting files: 1
-2024-12-03 19:09:39,046 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-03 19:09:39,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-03 19:09:39,046 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-03 19:09:39,053 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:39,054 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-03 19:09:39,054 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-03 19:09:39,054 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:09:39,055 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:09:39,055 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:09:39,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:09:39,056 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:09:39,057 - INFO - number of supporting files: 1
-2024-12-03 19:09:39,057 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-03 19:09:39,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-03 19:09:39,057 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-03 19:09:39,064 - INFO - number of entries in Hamiltonian_features.csv:  121
-2024-12-03 19:09:39,064 - INFO - did NOT find instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 in database.
-2024-12-03 19:09:39,064 - INFO - Processing instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 ...
-2024-12-03 19:09:39,064 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz...
-2024-12-03 19:09:39,111 - INFO - Connected (version 2.0, client 0)
-2024-12-03 19:09:39,646 - INFO - Authentication (publickey) successful!
-2024-12-03 19:09:39,660 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 19:09:40,215 - INFO - [chan 0] sftp session closed.
-2024-12-03 19:09:40,215 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 19:09:40,215 - INFO - decompressing file fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz...
-2024-12-03 19:09:40,491 - INFO - this script has been running for 9.13 hours.
-2024-12-03 19:09:40,491 - INFO - ===============================================
-2024-12-03 19:09:40,491 - INFO - calculating Hamiltonian features...
-2024-12-03 19:09:40,491 - INFO - reading data from fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2
-2024-12-03 19:09:42,739 - INFO - finished reading FCIDUMP data.
-2024-12-03 19:09:42,739 - INFO - data['NORB']: 53
-2024-12-03 19:09:42,739 - INFO - len(data['H1']): 53
-2024-12-03 19:09:42,739 - INFO - ao2mo.restore...
-2024-12-03 19:09:42,761 - INFO - done.
-2024-12-03 19:09:42,761 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 19:09:42,761 - INFO - done.
-2024-12-03 19:09:42,761 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 19:41:22,752 - INFO - done.
-2024-12-03 19:41:22,752 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 19:44:07,796 - INFO - done.
-2024-12-03 19:44:07,796 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 19:44:27,344 - INFO - done.
-2024-12-03 19:44:27,345 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 19:44:29,421 - INFO - done.
-2024-12-03 19:44:29,421 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 19:44:29,422 - INFO - done.
-2024-12-03 19:44:29,422 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 19:44:29,422 - INFO - done.
-2024-12-03 19:44:30,776 - INFO - Hamiltonian features calculation run time (seconds): 2090.285576
-2024-12-03 19:44:30,777 - INFO - wrote df_eigs to file: df_eigs.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.bin
-2024-12-03 19:44:30,777 - INFO - deleting file fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-03 19:44:30,783 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 19:44:30,790 - INFO - this script has been running for 9.71 hours.
-2024-12-03 19:44:30,790 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-03 19:44:30,790 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:44:30,790 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:44:30,790 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:44:30,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:44:30,792 - INFO - number of orbitals:  58
-2024-12-03 19:44:30,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 19:44:30,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 19:44:30,792 - INFO - moving on ...
-2024-12-03 19:44:30,792 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-03 19:44:30,792 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:44:30,793 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:44:30,793 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:44:30,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:44:30,794 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:44:30,794 - INFO - number of supporting files: 1
-2024-12-03 19:44:30,794 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-03 19:44:30,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-03 19:44:30,794 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-03 19:44:30,802 - INFO - number of entries in Hamiltonian_features.csv:  122
-2024-12-03 19:44:30,802 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-03 19:44:30,802 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-03 19:44:30,802 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 19:44:30,802 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 19:44:30,802 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 19:44:30,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 19:44:30,804 - INFO - attempting to process the Hamiltonian...
-2024-12-03 19:44:30,804 - INFO - number of supporting files: 1
-2024-12-03 19:44:30,804 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-03 19:44:30,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-03 19:44:30,804 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-03 19:44:30,811 - INFO - number of entries in Hamiltonian_features.csv:  122
-2024-12-03 19:44:30,811 - INFO - did NOT find instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b in database.
-2024-12-03 19:44:30,812 - INFO - Processing instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b ...
-2024-12-03 19:44:30,812 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz...
-2024-12-03 19:44:30,857 - INFO - Connected (version 2.0, client 0)
-2024-12-03 19:44:31,399 - INFO - Authentication (publickey) successful!
-2024-12-03 19:44:31,423 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 19:44:32,126 - INFO - [chan 0] sftp session closed.
-2024-12-03 19:44:32,126 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 19:44:32,126 - INFO - decompressing file fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz...
-2024-12-03 19:44:32,420 - INFO - this script has been running for 9.71 hours.
-2024-12-03 19:44:32,420 - INFO - ===============================================
-2024-12-03 19:44:32,420 - INFO - calculating Hamiltonian features...
-2024-12-03 19:44:32,420 - INFO - reading data from fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b
-2024-12-03 19:44:34,918 - INFO - finished reading FCIDUMP data.
-2024-12-03 19:44:34,918 - INFO - data['NORB']: 54
-2024-12-03 19:44:34,918 - INFO - len(data['H1']): 54
-2024-12-03 19:44:34,918 - INFO - ao2mo.restore...
-2024-12-03 19:44:34,946 - INFO - done.
-2024-12-03 19:44:34,946 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 19:44:34,947 - INFO - done.
-2024-12-03 19:44:34,947 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 20:19:08,549 - INFO - done.
-2024-12-03 20:19:08,549 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 20:22:09,382 - INFO - done.
-2024-12-03 20:22:09,382 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 20:22:29,529 - INFO - done.
-2024-12-03 20:22:29,529 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 20:22:31,166 - INFO - done.
-2024-12-03 20:22:31,167 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 20:22:31,167 - INFO - done.
-2024-12-03 20:22:31,167 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 20:22:31,167 - INFO - done.
-2024-12-03 20:22:32,718 - INFO - Hamiltonian features calculation run time (seconds): 2280.297204
-2024-12-03 20:22:32,718 - INFO - wrote df_eigs to file: df_eigs.22ab7092-61bb-401f-ac43-912ec10ea48b.bin
-2024-12-03 20:22:32,718 - INFO - deleting file fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-03 20:22:32,724 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 20:22:32,731 - INFO - this script has been running for 10.34 hours.
-2024-12-03 20:22:32,731 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-03 20:22:32,731 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 20:22:32,731 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 20:22:32,731 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 20:22:32,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 20:22:32,733 - INFO - attempting to process the Hamiltonian...
-2024-12-03 20:22:32,733 - INFO - number of supporting files: 1
-2024-12-03 20:22:32,733 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-03 20:22:32,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-03 20:22:32,733 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-03 20:22:32,740 - INFO - number of entries in Hamiltonian_features.csv:  123
-2024-12-03 20:22:32,741 - INFO - did NOT find instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 in database.
-2024-12-03 20:22:32,741 - INFO - Processing instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 ...
-2024-12-03 20:22:32,741 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz...
-2024-12-03 20:22:32,787 - INFO - Connected (version 2.0, client 0)
-2024-12-03 20:22:33,300 - INFO - Authentication (publickey) successful!
-2024-12-03 20:22:33,324 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 20:22:34,105 - INFO - [chan 0] sftp session closed.
-2024-12-03 20:22:34,105 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 20:22:34,105 - INFO - decompressing file fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz...
-2024-12-03 20:22:34,437 - INFO - this script has been running for 10.34 hours.
-2024-12-03 20:22:34,437 - INFO - ===============================================
-2024-12-03 20:22:34,437 - INFO - calculating Hamiltonian features...
-2024-12-03 20:22:34,437 - INFO - reading data from fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86
-2024-12-03 20:22:37,276 - INFO - finished reading FCIDUMP data.
-2024-12-03 20:22:37,276 - INFO - data['NORB']: 55
-2024-12-03 20:22:37,276 - INFO - len(data['H1']): 55
-2024-12-03 20:22:37,276 - INFO - ao2mo.restore...
-2024-12-03 20:22:37,302 - INFO - done.
-2024-12-03 20:22:37,303 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 20:22:37,303 - INFO - done.
-2024-12-03 20:22:37,303 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 20:59:57,509 - INFO - done.
-2024-12-03 20:59:57,509 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 21:03:18,858 - INFO - done.
-2024-12-03 21:03:18,859 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 21:03:39,733 - INFO - done.
-2024-12-03 21:03:39,733 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 21:03:41,779 - INFO - done.
-2024-12-03 21:03:41,779 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 21:03:41,780 - INFO - done.
-2024-12-03 21:03:41,780 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 21:03:41,780 - INFO - done.
-2024-12-03 21:03:43,478 - INFO - Hamiltonian features calculation run time (seconds): 2469.040587
-2024-12-03 21:03:43,478 - INFO - wrote df_eigs to file: df_eigs.8a8780b0-a0ba-4b7e-9847-589302123e86.bin
-2024-12-03 21:03:43,478 - INFO - deleting file fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-03 21:03:43,489 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 21:03:43,498 - INFO - this script has been running for 11.03 hours.
-2024-12-03 21:03:43,498 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-03 21:03:43,498 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 21:03:43,498 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 21:03:43,498 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 21:03:43,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 21:03:43,500 - INFO - attempting to process the Hamiltonian...
-2024-12-03 21:03:43,500 - INFO - number of supporting files: 1
-2024-12-03 21:03:43,500 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-03 21:03:43,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-03 21:03:43,501 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-03 21:03:43,509 - INFO - number of entries in Hamiltonian_features.csv:  124
-2024-12-03 21:03:43,509 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-03 21:03:43,509 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-03 21:03:43,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 21:03:43,509 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 21:03:43,509 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 21:03:43,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 21:03:43,511 - INFO - attempting to process the Hamiltonian...
-2024-12-03 21:03:43,511 - INFO - number of supporting files: 1
-2024-12-03 21:03:43,511 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-03 21:03:43,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-03 21:03:43,511 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-03 21:03:43,519 - INFO - number of entries in Hamiltonian_features.csv:  124
-2024-12-03 21:03:43,519 - INFO - did NOT find instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 in database.
-2024-12-03 21:03:43,519 - INFO - Processing instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 ...
-2024-12-03 21:03:43,519 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz...
-2024-12-03 21:03:43,564 - INFO - Connected (version 2.0, client 0)
-2024-12-03 21:03:44,112 - INFO - Authentication (publickey) successful!
-2024-12-03 21:03:44,132 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 21:03:45,228 - INFO - [chan 0] sftp session closed.
-2024-12-03 21:03:45,228 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 21:03:45,228 - INFO - decompressing file fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz...
-2024-12-03 21:03:45,531 - INFO - this script has been running for 11.03 hours.
-2024-12-03 21:03:45,531 - INFO - ===============================================
-2024-12-03 21:03:45,531 - INFO - calculating Hamiltonian features...
-2024-12-03 21:03:45,531 - INFO - reading data from fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047
-2024-12-03 21:03:48,066 - INFO - finished reading FCIDUMP data.
-2024-12-03 21:03:48,067 - INFO - data['NORB']: 54
-2024-12-03 21:03:48,067 - INFO - len(data['H1']): 54
-2024-12-03 21:03:48,067 - INFO - ao2mo.restore...
-2024-12-03 21:03:48,091 - INFO - done.
-2024-12-03 21:03:48,091 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 21:03:48,091 - INFO - done.
-2024-12-03 21:03:48,091 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 21:39:35,883 - INFO - done.
-2024-12-03 21:39:35,883 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 21:42:48,223 - INFO - done.
-2024-12-03 21:42:48,223 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 21:43:09,186 - INFO - done.
-2024-12-03 21:43:09,186 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 21:43:10,886 - INFO - done.
-2024-12-03 21:43:10,886 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 21:43:10,887 - INFO - done.
-2024-12-03 21:43:10,887 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 21:43:10,887 - INFO - done.
-2024-12-03 21:43:12,470 - INFO - Hamiltonian features calculation run time (seconds): 2366.939141
-2024-12-03 21:43:12,470 - INFO - wrote df_eigs to file: df_eigs.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.bin
-2024-12-03 21:43:12,470 - INFO - deleting file fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-03 21:43:12,477 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 21:43:12,484 - INFO - this script has been running for 11.69 hours.
-2024-12-03 21:43:12,484 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-03 21:43:12,484 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 21:43:12,484 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 21:43:12,484 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 21:43:12,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 21:43:12,486 - INFO - attempting to process the Hamiltonian...
-2024-12-03 21:43:12,486 - INFO - number of supporting files: 1
-2024-12-03 21:43:12,486 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-03 21:43:12,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-03 21:43:12,486 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-03 21:43:12,494 - INFO - number of entries in Hamiltonian_features.csv:  125
-2024-12-03 21:43:12,494 - INFO - did NOT find instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 in database.
-2024-12-03 21:43:12,494 - INFO - Processing instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 ...
-2024-12-03 21:43:12,494 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz...
-2024-12-03 21:43:12,540 - INFO - Connected (version 2.0, client 0)
-2024-12-03 21:43:13,091 - INFO - Authentication (publickey) successful!
-2024-12-03 21:43:13,117 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 21:43:13,872 - INFO - [chan 0] sftp session closed.
-2024-12-03 21:43:13,873 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 21:43:13,873 - INFO - decompressing file fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz...
-2024-12-03 21:43:14,205 - INFO - this script has been running for 11.69 hours.
-2024-12-03 21:43:14,205 - INFO - ===============================================
-2024-12-03 21:43:14,205 - INFO - calculating Hamiltonian features...
-2024-12-03 21:43:14,205 - INFO - reading data from fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3
-2024-12-03 21:43:16,969 - INFO - finished reading FCIDUMP data.
-2024-12-03 21:43:16,969 - INFO - data['NORB']: 55
-2024-12-03 21:43:16,969 - INFO - len(data['H1']): 55
-2024-12-03 21:43:16,969 - INFO - ao2mo.restore...
-2024-12-03 21:43:16,996 - INFO - done.
-2024-12-03 21:43:16,996 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 21:43:16,996 - INFO - done.
-2024-12-03 21:43:16,996 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 22:21:26,276 - INFO - done.
-2024-12-03 22:21:26,276 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 22:24:44,683 - INFO - done.
-2024-12-03 22:24:44,683 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 22:25:06,869 - INFO - done.
-2024-12-03 22:25:06,870 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 22:25:08,703 - INFO - done.
-2024-12-03 22:25:08,704 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 22:25:08,704 - INFO - done.
-2024-12-03 22:25:08,704 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 22:25:08,704 - INFO - done.
-2024-12-03 22:25:10,377 - INFO - Hamiltonian features calculation run time (seconds): 2516.171822
-2024-12-03 22:25:10,377 - INFO - wrote df_eigs to file: df_eigs.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.bin
-2024-12-03 22:25:10,378 - INFO - deleting file fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-03 22:25:10,384 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 22:25:10,391 - INFO - this script has been running for 12.39 hours.
-2024-12-03 22:25:10,391 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-03 22:25:10,392 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-03 22:25:10,392 - INFO - problem_instance short name: planted_solution_0004
-2024-12-03 22:25:10,392 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 22:25:10,392 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-03 22:25:10,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,393 - INFO - number of orbitals:  70
-2024-12-03 22:25:10,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 22:25:10,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 22:25:10,393 - INFO - moving on ...
-2024-12-03 22:25:10,393 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-03 22:25:10,394 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-03 22:25:10,394 - INFO - problem_instance short name: h_cl_0
-2024-12-03 22:25:10,394 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 22:25:10,394 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-03 22:25:10,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,395 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,395 - INFO - number of supporting files: 2
-2024-12-03 22:25:10,395 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-03 22:25:10,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-03 22:25:10,395 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-03 22:25:10,403 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,403 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,403 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-03 22:25:10,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-03 22:25:10,403 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 22:25:10,403 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-03 22:25:10,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,405 - INFO - number of orbitals:  89
-2024-12-03 22:25:10,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 22:25:10,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 22:25:10,405 - INFO - moving on ...
-2024-12-03 22:25:10,405 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-03 22:25:10,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,406 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,406 - INFO - number of supporting files: 2
-2024-12-03 22:25:10,406 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-03 22:25:10,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-03 22:25:10,406 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-03 22:25:10,414 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,414 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,414 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-03 22:25:10,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-03 22:25:10,415 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 22:25:10,415 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-03 22:25:10,415 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-03 22:25:10,415 - INFO - problem_instance short name: mn_mono
-2024-12-03 22:25:10,415 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-03 22:25:10,415 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-03 22:25:10,415 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 22:25:10,415 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 22:25:10,415 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 22:25:10,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,417 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,417 - INFO - number of supporting files: 1
-2024-12-03 22:25:10,417 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-03 22:25:10,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-03 22:25:10,417 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-03 22:25:10,425 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,425 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,425 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-03 22:25:10,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 22:25:10,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 22:25:10,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 22:25:10,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,427 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,427 - INFO - number of supporting files: 1
-2024-12-03 22:25:10,427 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-03 22:25:10,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-03 22:25:10,427 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-03 22:25:10,435 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,435 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,436 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-03 22:25:10,436 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 22:25:10,436 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 22:25:10,436 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 22:25:10,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,438 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,438 - INFO - number of supporting files: 1
-2024-12-03 22:25:10,438 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-03 22:25:10,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-03 22:25:10,438 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-03 22:25:10,445 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,445 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,445 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-03 22:25:10,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 22:25:10,446 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 22:25:10,446 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 22:25:10,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,447 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,447 - INFO - number of supporting files: 1
-2024-12-03 22:25:10,448 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-03 22:25:10,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-03 22:25:10,448 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-03 22:25:10,455 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,455 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,456 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-03 22:25:10,456 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 22:25:10,456 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 22:25:10,456 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 22:25:10,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,458 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,458 - INFO - number of supporting files: 1
-2024-12-03 22:25:10,458 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-03 22:25:10,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-03 22:25:10,458 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-03 22:25:10,466 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,467 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,467 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-03 22:25:10,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 22:25:10,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 22:25:10,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 22:25:10,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,469 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,469 - INFO - number of supporting files: 1
-2024-12-03 22:25:10,469 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-03 22:25:10,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-03 22:25:10,469 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-03 22:25:10,477 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,478 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,478 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-03 22:25:10,478 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 22:25:10,478 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 22:25:10,478 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 22:25:10,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,481 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,481 - INFO - number of supporting files: 1
-2024-12-03 22:25:10,481 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-03 22:25:10,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-03 22:25:10,481 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-03 22:25:10,489 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,489 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,490 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-03 22:25:10,490 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 22:25:10,490 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 22:25:10,490 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 22:25:10,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,492 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,492 - INFO - number of supporting files: 1
-2024-12-03 22:25:10,492 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-03 22:25:10,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-03 22:25:10,492 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-03 22:25:10,500 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,500 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,500 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-03 22:25:10,500 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-03 22:25:10,501 - INFO - problem_instance short name: h2_c_o_0
-2024-12-03 22:25:10,501 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 22:25:10,501 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-03 22:25:10,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,502 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,502 - INFO - number of supporting files: 2
-2024-12-03 22:25:10,502 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-03 22:25:10,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-03 22:25:10,502 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-03 22:25:10,510 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,510 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-03 22:25:10,510 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-03 22:25:10,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-03 22:25:10,510 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 22:25:10,510 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-03 22:25:10,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,511 - INFO - number of orbitals:  88
-2024-12-03 22:25:10,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 22:25:10,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 22:25:10,511 - INFO - moving on ...
-2024-12-03 22:25:10,511 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-03 22:25:10,512 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-03 22:25:10,512 - INFO - problem_instance short name: Cr_0
-2024-12-03 22:25:10,512 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 22:25:10,512 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-03 22:25:10,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 22:25:10,513 - INFO - attempting to process the Hamiltonian...
-2024-12-03 22:25:10,513 - INFO - number of supporting files: 2
-2024-12-03 22:25:10,513 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-03 22:25:10,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-03 22:25:10,513 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-03 22:25:10,521 - INFO - number of entries in Hamiltonian_features.csv:  126
-2024-12-03 22:25:10,521 - INFO - did NOT find instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 in database.
-2024-12-03 22:25:10,521 - INFO - Processing instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 ...
-2024-12-03 22:25:10,521 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz...
-2024-12-03 22:25:10,563 - INFO - Connected (version 2.0, client 0)
-2024-12-03 22:25:11,348 - INFO - Authentication (publickey) successful!
-2024-12-03 22:25:11,374 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 22:25:14,315 - INFO - [chan 0] sftp session closed.
-2024-12-03 22:25:14,316 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 22:25:14,316 - INFO - decompressing file fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz...
-2024-12-03 22:25:14,944 - INFO - this script has been running for 12.39 hours.
-2024-12-03 22:25:14,944 - INFO - ===============================================
-2024-12-03 22:25:14,944 - INFO - calculating Hamiltonian features...
-2024-12-03 22:25:14,944 - INFO - reading data from fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18
-2024-12-03 22:25:20,129 - INFO - finished reading FCIDUMP data.
-2024-12-03 22:25:20,129 - INFO - data['NORB']: 54
-2024-12-03 22:25:20,129 - INFO - len(data['H1']): 54
-2024-12-03 22:25:20,129 - INFO - ao2mo.restore...
-2024-12-03 22:25:20,154 - INFO - done.
-2024-12-03 22:25:20,154 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 22:25:20,154 - INFO - done.
-2024-12-03 22:25:20,154 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 23:00:45,919 - INFO - done.
-2024-12-03 23:00:45,919 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 23:03:54,940 - INFO - done.
-2024-12-03 23:03:54,940 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 23:04:16,279 - INFO - done.
-2024-12-03 23:04:16,279 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 23:04:17,945 - INFO - done.
-2024-12-03 23:04:17,945 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 23:04:17,945 - INFO - done.
-2024-12-03 23:04:17,945 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 23:04:17,945 - INFO - done.
-2024-12-03 23:04:19,497 - INFO - Hamiltonian features calculation run time (seconds): 2344.553517
-2024-12-03 23:04:19,498 - INFO - wrote df_eigs to file: df_eigs.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.bin
-2024-12-03 23:04:19,498 - INFO - deleting file fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-03 23:04:19,512 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 23:04:19,517 - INFO - this script has been running for 13.04 hours.
-2024-12-03 23:04:19,518 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-03 23:04:19,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-03 23:04:19,518 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:04:19,518 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-03 23:04:19,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:04:19,519 - INFO - number of orbitals:  88
-2024-12-03 23:04:19,519 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:04:19,519 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:04:19,519 - INFO - moving on ...
-2024-12-03 23:04:19,520 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-03 23:04:19,520 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-03 23:04:19,520 - INFO - problem_instance short name: h_f_0
-2024-12-03 23:04:19,520 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 23:04:19,520 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-03 23:04:19,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:04:19,521 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:04:19,521 - INFO - number of supporting files: 2
-2024-12-03 23:04:19,521 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-03 23:04:19,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-03 23:04:19,521 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-03 23:04:19,530 - INFO - number of entries in Hamiltonian_features.csv:  127
-2024-12-03 23:04:19,530 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-03 23:04:19,530 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-03 23:04:19,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-03 23:04:19,530 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:04:19,530 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-03 23:04:19,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:04:19,532 - INFO - number of orbitals:  85
-2024-12-03 23:04:19,532 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:04:19,532 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:04:19,532 - INFO - moving on ...
-2024-12-03 23:04:19,532 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-03 23:04:19,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:04:19,533 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:04:19,533 - INFO - number of supporting files: 2
-2024-12-03 23:04:19,533 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-03 23:04:19,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-03 23:04:19,533 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-03 23:04:19,542 - INFO - number of entries in Hamiltonian_features.csv:  127
-2024-12-03 23:04:19,542 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-03 23:04:19,542 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-03 23:04:19,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-03 23:04:19,542 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:04:19,542 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-03 23:04:19,543 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-03 23:04:19,543 - INFO - problem_instance short name: Ti_1
-2024-12-03 23:04:19,543 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 23:04:19,543 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-03 23:04:19,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:04:19,544 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:04:19,544 - INFO - number of supporting files: 2
-2024-12-03 23:04:19,544 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-03 23:04:19,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-03 23:04:19,544 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-03 23:04:19,553 - INFO - number of entries in Hamiltonian_features.csv:  127
-2024-12-03 23:04:19,553 - INFO - did NOT find instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc in database.
-2024-12-03 23:04:19,553 - INFO - Processing instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc ...
-2024-12-03 23:04:19,553 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz...
-2024-12-03 23:04:19,600 - INFO - Connected (version 2.0, client 0)
-2024-12-03 23:04:20,136 - INFO - Authentication (publickey) successful!
-2024-12-03 23:04:20,153 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 23:04:21,499 - INFO - [chan 0] sftp session closed.
-2024-12-03 23:04:21,499 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 23:04:21,500 - INFO - decompressing file fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz...
-2024-12-03 23:04:21,798 - INFO - this script has been running for 13.04 hours.
-2024-12-03 23:04:21,798 - INFO - ===============================================
-2024-12-03 23:04:21,798 - INFO - calculating Hamiltonian features...
-2024-12-03 23:04:21,798 - INFO - reading data from fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc
-2024-12-03 23:04:24,468 - INFO - finished reading FCIDUMP data.
-2024-12-03 23:04:24,468 - INFO - data['NORB']: 54
-2024-12-03 23:04:24,468 - INFO - len(data['H1']): 54
-2024-12-03 23:04:24,468 - INFO - ao2mo.restore...
-2024-12-03 23:04:24,492 - INFO - done.
-2024-12-03 23:04:24,492 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 23:04:24,492 - INFO - done.
-2024-12-03 23:04:24,492 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 23:19:43,158 - INFO - done.
-2024-12-03 23:19:43,159 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 23:20:15,446 - INFO - done.
-2024-12-03 23:20:15,446 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 23:20:18,383 - INFO - done.
-2024-12-03 23:20:18,383 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 23:20:20,030 - INFO - done.
-2024-12-03 23:20:20,030 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 23:20:20,031 - INFO - done.
-2024-12-03 23:20:20,031 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 23:20:20,031 - INFO - done.
-2024-12-03 23:20:20,426 - INFO - Hamiltonian features calculation run time (seconds): 958.628271
-2024-12-03 23:20:20,426 - INFO - wrote df_eigs to file: df_eigs.760e312c-9982-486d-b50e-d9acb003aedc.bin
-2024-12-03 23:20:20,426 - INFO - deleting file fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-03 23:20:20,433 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 23:20:20,440 - INFO - this script has been running for 13.30 hours.
-2024-12-03 23:20:20,440 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-03 23:20:20,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-03 23:20:20,440 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:20:20,440 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-03 23:20:20,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,442 - INFO - number of orbitals:  88
-2024-12-03 23:20:20,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,442 - INFO - moving on ...
-2024-12-03 23:20:20,442 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-03 23:20:20,442 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-03 23:20:20,442 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-03 23:20:20,442 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 23:20:20,442 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-03 23:20:20,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,444 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:20:20,445 - INFO - number of supporting files: 2
-2024-12-03 23:20:20,445 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-03 23:20:20,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-03 23:20:20,445 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-03 23:20:20,453 - INFO - number of entries in Hamiltonian_features.csv:  128
-2024-12-03 23:20:20,454 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-03 23:20:20,454 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-03 23:20:20,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-03 23:20:20,454 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:20:20,454 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-03 23:20:20,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,456 - INFO - number of orbitals:  115
-2024-12-03 23:20:20,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,456 - INFO - moving on ...
-2024-12-03 23:20:20,456 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-03 23:20:20,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,457 - INFO - number of orbitals:  58
-2024-12-03 23:20:20,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,457 - INFO - moving on ...
-2024-12-03 23:20:20,457 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-03 23:20:20,457 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-03 23:20:20,458 - INFO - problem_instance short name: ozone
-2024-12-03 23:20:20,458 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-03 23:20:20,458 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-03 23:20:20,458 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 23:20:20,458 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 23:20:20,458 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 23:20:20,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,459 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:20:20,460 - INFO - number of supporting files: 1
-2024-12-03 23:20:20,460 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-03 23:20:20,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-03 23:20:20,460 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-03 23:20:20,468 - INFO - number of entries in Hamiltonian_features.csv:  128
-2024-12-03 23:20:20,468 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-03 23:20:20,468 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-03 23:20:20,468 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 23:20:20,468 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 23:20:20,468 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 23:20:20,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,470 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:20:20,470 - INFO - number of supporting files: 1
-2024-12-03 23:20:20,470 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-03 23:20:20,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-03 23:20:20,470 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-03 23:20:20,478 - INFO - number of entries in Hamiltonian_features.csv:  128
-2024-12-03 23:20:20,479 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-03 23:20:20,479 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-03 23:20:20,479 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 23:20:20,479 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 23:20:20,479 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 23:20:20,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,481 - INFO - number of orbitals:  90
-2024-12-03 23:20:20,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,481 - INFO - moving on ...
-2024-12-03 23:20:20,481 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-03 23:20:20,481 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 23:20:20,481 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 23:20:20,481 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 23:20:20,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,483 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:20:20,483 - INFO - number of supporting files: 1
-2024-12-03 23:20:20,483 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-03 23:20:20,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-03 23:20:20,483 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-03 23:20:20,491 - INFO - number of entries in Hamiltonian_features.csv:  128
-2024-12-03 23:20:20,492 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-03 23:20:20,492 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-03 23:20:20,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 23:20:20,492 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 23:20:20,492 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 23:20:20,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,494 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:20:20,494 - INFO - number of supporting files: 1
-2024-12-03 23:20:20,494 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-03 23:20:20,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-03 23:20:20,494 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-03 23:20:20,505 - INFO - number of entries in Hamiltonian_features.csv:  128
-2024-12-03 23:20:20,506 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-03 23:20:20,506 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-03 23:20:20,506 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 23:20:20,506 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 23:20:20,506 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 23:20:20,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,509 - INFO - number of orbitals:  90
-2024-12-03 23:20:20,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,509 - INFO - moving on ...
-2024-12-03 23:20:20,509 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-03 23:20:20,509 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-03 23:20:20,509 - INFO - problem_instance short name: CuO_0
-2024-12-03 23:20:20,510 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 23:20:20,510 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-03 23:20:20,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,511 - INFO - number of orbitals:  76
-2024-12-03 23:20:20,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,512 - INFO - moving on ...
-2024-12-03 23:20:20,512 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-03 23:20:20,512 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-03 23:20:20,512 - INFO - problem_instance short name: c2_h4_0
-2024-12-03 23:20:20,512 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 23:20:20,512 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-03 23:20:20,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,514 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:20:20,514 - INFO - number of supporting files: 2
-2024-12-03 23:20:20,514 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-03 23:20:20,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-03 23:20:20,514 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-03 23:20:20,524 - INFO - number of entries in Hamiltonian_features.csv:  128
-2024-12-03 23:20:20,525 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-03 23:20:20,525 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-03 23:20:20,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-03 23:20:20,525 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:20:20,525 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-03 23:20:20,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,527 - INFO - number of orbitals:  116
-2024-12-03 23:20:20,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,527 - INFO - moving on ...
-2024-12-03 23:20:20,527 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-03 23:20:20,527 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-03 23:20:20,527 - INFO - problem_instance short name: n2_0
-2024-12-03 23:20:20,527 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 23:20:20,527 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-03 23:20:20,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,528 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:20:20,528 - INFO - number of supporting files: 2
-2024-12-03 23:20:20,528 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-03 23:20:20,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-03 23:20:20,528 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-03 23:20:20,537 - INFO - number of entries in Hamiltonian_features.csv:  128
-2024-12-03 23:20:20,537 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-03 23:20:20,537 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-03 23:20:20,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-03 23:20:20,537 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:20:20,538 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-03 23:20:20,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,539 - INFO - number of orbitals:  110
-2024-12-03 23:20:20,539 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,539 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,539 - INFO - moving on ...
-2024-12-03 23:20:20,539 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-03 23:20:20,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,541 - INFO - number of orbitals:  60
-2024-12-03 23:20:20,541 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,541 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,541 - INFO - moving on ...
-2024-12-03 23:20:20,541 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-03 23:20:20,541 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-03 23:20:20,541 - INFO - problem_instance short name: mo2_n2
-2024-12-03 23:20:20,541 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 23:20:20,541 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-03 23:20:20,541 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 23:20:20,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 23:20:20,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 23:20:20,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,543 - INFO - number of orbitals:  69
-2024-12-03 23:20:20,543 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,543 - INFO - moving on ...
-2024-12-03 23:20:20,543 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-03 23:20:20,543 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 23:20:20,543 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 23:20:20,543 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 23:20:20,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,545 - INFO - number of orbitals:  70
-2024-12-03 23:20:20,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,545 - INFO - moving on ...
-2024-12-03 23:20:20,545 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-03 23:20:20,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-03 23:20:20,546 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-03 23:20:20,546 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-03 23:20:20,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,547 - INFO - number of orbitals:  69
-2024-12-03 23:20:20,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:20:20,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:20:20,547 - INFO - moving on ...
-2024-12-03 23:20:20,547 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-03 23:20:20,548 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-03 23:20:20,548 - INFO - problem_instance short name: Ti_0
-2024-12-03 23:20:20,548 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 23:20:20,548 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-03 23:20:20,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:20:20,549 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:20:20,549 - INFO - number of supporting files: 2
-2024-12-03 23:20:20,549 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-03 23:20:20,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-03 23:20:20,549 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-03 23:20:20,558 - INFO - number of entries in Hamiltonian_features.csv:  128
-2024-12-03 23:20:20,559 - INFO - did NOT find instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef in database.
-2024-12-03 23:20:20,559 - INFO - Processing instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef ...
-2024-12-03 23:20:20,559 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz...
-2024-12-03 23:20:20,603 - INFO - Connected (version 2.0, client 0)
-2024-12-03 23:20:21,402 - INFO - Authentication (publickey) successful!
-2024-12-03 23:20:21,423 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 23:20:23,261 - INFO - [chan 0] sftp session closed.
-2024-12-03 23:20:23,261 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 23:20:23,261 - INFO - decompressing file fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz...
-2024-12-03 23:20:23,670 - INFO - this script has been running for 13.31 hours.
-2024-12-03 23:20:23,670 - INFO - ===============================================
-2024-12-03 23:20:23,670 - INFO - calculating Hamiltonian features...
-2024-12-03 23:20:23,670 - INFO - reading data from fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef
-2024-12-03 23:20:27,016 - INFO - finished reading FCIDUMP data.
-2024-12-03 23:20:27,016 - INFO - data['NORB']: 54
-2024-12-03 23:20:27,016 - INFO - len(data['H1']): 54
-2024-12-03 23:20:27,016 - INFO - ao2mo.restore...
-2024-12-03 23:20:27,042 - INFO - done.
-2024-12-03 23:20:27,042 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 23:20:27,042 - INFO - done.
-2024-12-03 23:20:27,042 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 23:40:15,255 - INFO - done.
-2024-12-03 23:40:15,255 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 23:40:43,604 - INFO - done.
-2024-12-03 23:40:43,604 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 23:40:46,455 - INFO - done.
-2024-12-03 23:40:46,455 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 23:40:48,088 - INFO - done.
-2024-12-03 23:40:48,088 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 23:40:48,088 - INFO - done.
-2024-12-03 23:40:48,088 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 23:40:48,088 - INFO - done.
-2024-12-03 23:40:48,456 - INFO - Hamiltonian features calculation run time (seconds): 1224.786286
-2024-12-03 23:40:48,457 - INFO - wrote df_eigs to file: df_eigs.cdae3a0c-d613-4375-ab65-7088244b54ef.bin
-2024-12-03 23:40:48,457 - INFO - deleting file fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-03 23:40:48,464 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 23:40:48,469 - INFO - this script has been running for 13.65 hours.
-2024-12-03 23:40:48,469 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-03 23:40:48,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-03 23:40:48,469 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:40:48,469 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-03 23:40:48,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:40:48,471 - INFO - number of orbitals:  88
-2024-12-03 23:40:48,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:40:48,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:40:48,471 - INFO - moving on ...
-2024-12-03 23:40:48,471 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-03 23:40:48,471 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-03 23:40:48,471 - INFO - problem_instance short name: li2_0
-2024-12-03 23:40:48,471 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 23:40:48,471 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-03 23:40:48,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:40:48,473 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:40:48,473 - INFO - number of supporting files: 2
-2024-12-03 23:40:48,473 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-03 23:40:48,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-03 23:40:48,473 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-03 23:40:48,480 - INFO - number of entries in Hamiltonian_features.csv:  129
-2024-12-03 23:40:48,481 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-03 23:40:48,481 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-03 23:40:48,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-03 23:40:48,481 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:40:48,481 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-03 23:40:48,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:40:48,482 - INFO - number of orbitals:  110
-2024-12-03 23:40:48,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:40:48,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:40:48,482 - INFO - moving on ...
-2024-12-03 23:40:48,482 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-03 23:40:48,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:40:48,484 - INFO - number of orbitals:  60
-2024-12-03 23:40:48,484 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:40:48,484 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:40:48,484 - INFO - moving on ...
-2024-12-03 23:40:48,484 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-03 23:40:48,484 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-03 23:40:48,484 - INFO - problem_instance short name: si_o_0
-2024-12-03 23:40:48,484 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 23:40:48,484 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-03 23:40:48,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:40:48,485 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:40:48,485 - INFO - number of supporting files: 2
-2024-12-03 23:40:48,485 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-03 23:40:48,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-03 23:40:48,485 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-03 23:40:48,494 - INFO - number of entries in Hamiltonian_features.csv:  129
-2024-12-03 23:40:48,494 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-03 23:40:48,494 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-03 23:40:48,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-03 23:40:48,494 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:40:48,494 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-03 23:40:48,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:40:48,495 - INFO - number of orbitals:  114
-2024-12-03 23:40:48,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:40:48,496 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:40:48,496 - INFO - moving on ...
-2024-12-03 23:40:48,496 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-03 23:40:48,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:40:48,497 - INFO - number of orbitals:  64
-2024-12-03 23:40:48,497 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:40:48,497 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:40:48,497 - INFO - moving on ...
-2024-12-03 23:40:48,497 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-03 23:40:48,497 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-03 23:40:48,497 - INFO - problem_instance short name: Cu_1
-2024-12-03 23:40:48,497 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 23:40:48,497 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-03 23:40:48,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:40:48,498 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:40:48,498 - INFO - number of supporting files: 2
-2024-12-03 23:40:48,498 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-03 23:40:48,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-03 23:40:48,499 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-03 23:40:48,506 - INFO - number of entries in Hamiltonian_features.csv:  129
-2024-12-03 23:40:48,506 - INFO - did NOT find instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec in database.
-2024-12-03 23:40:48,506 - INFO - Processing instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec ...
-2024-12-03 23:40:48,506 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz...
-2024-12-03 23:40:48,555 - INFO - Connected (version 2.0, client 0)
-2024-12-03 23:40:49,046 - INFO - Authentication (publickey) successful!
-2024-12-03 23:40:49,060 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 23:40:49,634 - INFO - [chan 0] sftp session closed.
-2024-12-03 23:40:49,634 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 23:40:49,635 - INFO - decompressing file fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz...
-2024-12-03 23:40:49,958 - INFO - this script has been running for 13.65 hours.
-2024-12-03 23:40:49,958 - INFO - ===============================================
-2024-12-03 23:40:49,959 - INFO - calculating Hamiltonian features...
-2024-12-03 23:40:49,959 - INFO - reading data from fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec
-2024-12-03 23:40:52,685 - INFO - finished reading FCIDUMP data.
-2024-12-03 23:40:52,685 - INFO - data['NORB']: 54
-2024-12-03 23:40:52,685 - INFO - len(data['H1']): 54
-2024-12-03 23:40:52,685 - INFO - ao2mo.restore...
-2024-12-03 23:40:52,709 - INFO - done.
-2024-12-03 23:40:52,709 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 23:40:52,710 - INFO - done.
-2024-12-03 23:40:52,710 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-03 23:57:54,472 - INFO - done.
-2024-12-03 23:57:54,472 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-03 23:59:22,987 - INFO - done.
-2024-12-03 23:59:22,988 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-03 23:59:32,801 - INFO - done.
-2024-12-03 23:59:32,802 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-03 23:59:34,487 - INFO - done.
-2024-12-03 23:59:34,487 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-03 23:59:34,487 - INFO - done.
-2024-12-03 23:59:34,487 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-03 23:59:34,487 - INFO - done.
-2024-12-03 23:59:35,280 - INFO - Hamiltonian features calculation run time (seconds): 1125.321046
-2024-12-03 23:59:35,280 - INFO - wrote df_eigs to file: df_eigs.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.bin
-2024-12-03 23:59:35,280 - INFO - deleting file fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-03 23:59:35,286 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-03 23:59:35,292 - INFO - this script has been running for 13.96 hours.
-2024-12-03 23:59:35,292 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-03 23:59:35,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-03 23:59:35,292 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:59:35,292 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-03 23:59:35,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,294 - INFO - number of orbitals:  88
-2024-12-03 23:59:35,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,294 - INFO - moving on ...
-2024-12-03 23:59:35,294 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-03 23:59:35,294 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-03 23:59:35,294 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-03 23:59:35,294 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,294 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-03 23:59:35,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,295 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:59:35,295 - INFO - number of supporting files: 2
-2024-12-03 23:59:35,295 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-03 23:59:35,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-03 23:59:35,296 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-03 23:59:35,303 - INFO - number of entries in Hamiltonian_features.csv:  130
-2024-12-03 23:59:35,304 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-03 23:59:35,304 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-03 23:59:35,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-03 23:59:35,304 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:59:35,304 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-03 23:59:35,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,305 - INFO - number of orbitals:  106
-2024-12-03 23:59:35,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,305 - INFO - moving on ...
-2024-12-03 23:59:35,305 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-03 23:59:35,306 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-03 23:59:35,306 - INFO - problem_instance short name: na2_0
-2024-12-03 23:59:35,306 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,306 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-03 23:59:35,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,307 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:59:35,307 - INFO - number of supporting files: 2
-2024-12-03 23:59:35,307 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-03 23:59:35,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-03 23:59:35,307 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-03 23:59:35,315 - INFO - number of entries in Hamiltonian_features.csv:  130
-2024-12-03 23:59:35,316 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-03 23:59:35,316 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-03 23:59:35,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-03 23:59:35,316 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:59:35,316 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-03 23:59:35,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,318 - INFO - number of orbitals:  118
-2024-12-03 23:59:35,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,318 - INFO - moving on ...
-2024-12-03 23:59:35,318 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-03 23:59:35,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,319 - INFO - number of orbitals:  68
-2024-12-03 23:59:35,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,319 - INFO - moving on ...
-2024-12-03 23:59:35,319 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-03 23:59:35,320 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-03 23:59:35,320 - INFO - problem_instance short name: ScO_0
-2024-12-03 23:59:35,320 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,320 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-03 23:59:35,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,321 - INFO - number of orbitals:  76
-2024-12-03 23:59:35,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,321 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,321 - INFO - moving on ...
-2024-12-03 23:59:35,321 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-03 23:59:35,321 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-03 23:59:35,321 - INFO - problem_instance short name: planted_solution_0005
-2024-12-03 23:59:35,321 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,321 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-03 23:59:35,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,323 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:59:35,323 - INFO - number of supporting files: 1
-2024-12-03 23:59:35,323 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-03 23:59:35,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-03 23:59:35,323 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-03 23:59:35,331 - INFO - number of entries in Hamiltonian_features.csv:  130
-2024-12-03 23:59:35,331 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-03 23:59:35,331 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-03 23:59:35,331 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-03 23:59:35,331 - INFO - problem_instance short name: li_f_0
-2024-12-03 23:59:35,332 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,332 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-03 23:59:35,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,333 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:59:35,333 - INFO - number of supporting files: 2
-2024-12-03 23:59:35,333 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-03 23:59:35,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-03 23:59:35,333 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-03 23:59:35,341 - INFO - number of entries in Hamiltonian_features.csv:  130
-2024-12-03 23:59:35,341 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-03 23:59:35,341 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-03 23:59:35,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-03 23:59:35,342 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:59:35,342 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-03 23:59:35,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,343 - INFO - number of orbitals:  110
-2024-12-03 23:59:35,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,343 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,343 - INFO - moving on ...
-2024-12-03 23:59:35,343 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-03 23:59:35,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,345 - INFO - number of orbitals:  60
-2024-12-03 23:59:35,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,345 - INFO - moving on ...
-2024-12-03 23:59:35,345 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-03 23:59:35,345 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-03 23:59:35,345 - INFO - problem_instance short name: CrO_0
-2024-12-03 23:59:35,345 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,345 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-03 23:59:35,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,346 - INFO - number of orbitals:  76
-2024-12-03 23:59:35,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,346 - INFO - moving on ...
-2024-12-03 23:59:35,346 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-03 23:59:35,347 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-03 23:59:35,347 - INFO - problem_instance short name: s_o2_0
-2024-12-03 23:59:35,347 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,347 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-03 23:59:35,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,348 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:59:35,348 - INFO - number of supporting files: 2
-2024-12-03 23:59:35,348 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-03 23:59:35,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-03 23:59:35,348 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-03 23:59:35,356 - INFO - number of entries in Hamiltonian_features.csv:  130
-2024-12-03 23:59:35,356 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-03 23:59:35,356 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-03 23:59:35,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-03 23:59:35,356 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:59:35,357 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-03 23:59:35,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,358 - INFO - number of orbitals:  94
-2024-12-03 23:59:35,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,358 - INFO - moving on ...
-2024-12-03 23:59:35,358 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-03 23:59:35,358 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-03 23:59:35,358 - INFO - problem_instance short name: li_h_0
-2024-12-03 23:59:35,358 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,358 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-03 23:59:35,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,359 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:59:35,359 - INFO - number of supporting files: 2
-2024-12-03 23:59:35,359 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-03 23:59:35,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-03 23:59:35,360 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-03 23:59:35,367 - INFO - number of entries in Hamiltonian_features.csv:  130
-2024-12-03 23:59:35,367 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-03 23:59:35,367 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-03 23:59:35,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-03 23:59:35,367 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:59:35,367 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-03 23:59:35,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,369 - INFO - number of orbitals:  85
-2024-12-03 23:59:35,369 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,369 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,369 - INFO - moving on ...
-2024-12-03 23:59:35,369 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-03 23:59:35,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,370 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:59:35,370 - INFO - number of supporting files: 2
-2024-12-03 23:59:35,370 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-03 23:59:35,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-03 23:59:35,370 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-03 23:59:35,378 - INFO - number of entries in Hamiltonian_features.csv:  130
-2024-12-03 23:59:35,379 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-03 23:59:35,379 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-03 23:59:35,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-03 23:59:35,379 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:59:35,379 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-03 23:59:35,379 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-03 23:59:35,379 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-03 23:59:35,379 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,379 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-03 23:59:35,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,380 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:59:35,381 - INFO - number of supporting files: 2
-2024-12-03 23:59:35,381 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-03 23:59:35,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-03 23:59:35,381 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-03 23:59:35,388 - INFO - number of entries in Hamiltonian_features.csv:  130
-2024-12-03 23:59:35,388 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-03 23:59:35,388 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-03 23:59:35,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-03 23:59:35,388 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-03 23:59:35,388 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-03 23:59:35,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,390 - INFO - number of orbitals:  116
-2024-12-03 23:59:35,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-03 23:59:35,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-03 23:59:35,390 - INFO - moving on ...
-2024-12-03 23:59:35,390 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-03 23:59:35,390 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-03 23:59:35,390 - INFO - problem_instance short name: V_1
-2024-12-03 23:59:35,390 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-03 23:59:35,390 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-03 23:59:35,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-03 23:59:35,391 - INFO - attempting to process the Hamiltonian...
-2024-12-03 23:59:35,391 - INFO - number of supporting files: 2
-2024-12-03 23:59:35,391 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-03 23:59:35,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-03 23:59:35,391 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-03 23:59:35,399 - INFO - number of entries in Hamiltonian_features.csv:  130
-2024-12-03 23:59:35,399 - INFO - did NOT find instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 in database.
-2024-12-03 23:59:35,399 - INFO - Processing instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 ...
-2024-12-03 23:59:35,399 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz...
-2024-12-03 23:59:35,442 - INFO - Connected (version 2.0, client 0)
-2024-12-03 23:59:35,958 - INFO - Authentication (publickey) successful!
-2024-12-03 23:59:35,975 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-03 23:59:36,693 - INFO - [chan 0] sftp session closed.
-2024-12-03 23:59:36,693 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-03 23:59:36,693 - INFO - decompressing file fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz...
-2024-12-03 23:59:36,984 - INFO - this script has been running for 13.96 hours.
-2024-12-03 23:59:36,984 - INFO - ===============================================
-2024-12-03 23:59:36,984 - INFO - calculating Hamiltonian features...
-2024-12-03 23:59:36,984 - INFO - reading data from fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41
-2024-12-03 23:59:39,428 - INFO - finished reading FCIDUMP data.
-2024-12-03 23:59:39,429 - INFO - data['NORB']: 54
-2024-12-03 23:59:39,429 - INFO - len(data['H1']): 54
-2024-12-03 23:59:39,429 - INFO - ao2mo.restore...
-2024-12-03 23:59:39,453 - INFO - done.
-2024-12-03 23:59:39,453 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-03 23:59:39,453 - INFO - done.
-2024-12-03 23:59:39,453 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 00:16:43,523 - INFO - done.
-2024-12-04 00:16:43,523 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 00:18:09,876 - INFO - done.
-2024-12-04 00:18:09,877 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 00:18:19,265 - INFO - done.
-2024-12-04 00:18:19,266 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 00:18:20,942 - INFO - done.
-2024-12-04 00:18:20,943 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 00:18:20,943 - INFO - done.
-2024-12-04 00:18:20,943 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 00:18:20,943 - INFO - done.
-2024-12-04 00:18:21,684 - INFO - Hamiltonian features calculation run time (seconds): 1124.699978
-2024-12-04 00:18:21,684 - INFO - wrote df_eigs to file: df_eigs.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.bin
-2024-12-04 00:18:21,684 - INFO - deleting file fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-04 00:18:21,690 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 00:18:21,695 - INFO - this script has been running for 14.27 hours.
-2024-12-04 00:18:21,695 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-04 00:18:21,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-04 00:18:21,695 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 00:18:21,696 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 00:18:21,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 00:18:21,697 - INFO - number of orbitals:  88
-2024-12-04 00:18:21,697 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 00:18:21,697 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 00:18:21,697 - INFO - moving on ...
-2024-12-04 00:18:21,697 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 00:18:21,698 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 00:18:21,698 - INFO - problem_instance short name: Mn_1
-2024-12-04 00:18:21,698 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 00:18:21,698 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 00:18:21,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 00:18:21,699 - INFO - attempting to process the Hamiltonian...
-2024-12-04 00:18:21,699 - INFO - number of supporting files: 2
-2024-12-04 00:18:21,699 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-04 00:18:21,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-04 00:18:21,699 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-04 00:18:21,707 - INFO - number of entries in Hamiltonian_features.csv:  131
-2024-12-04 00:18:21,707 - INFO - did NOT find instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 in database.
-2024-12-04 00:18:21,708 - INFO - Processing instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 ...
-2024-12-04 00:18:21,708 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz...
-2024-12-04 00:18:21,750 - INFO - Connected (version 2.0, client 0)
-2024-12-04 00:18:22,263 - INFO - Authentication (publickey) successful!
-2024-12-04 00:18:22,277 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 00:18:23,005 - INFO - [chan 0] sftp session closed.
-2024-12-04 00:18:23,005 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 00:18:23,005 - INFO - decompressing file fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz...
-2024-12-04 00:18:23,327 - INFO - this script has been running for 14.27 hours.
-2024-12-04 00:18:23,327 - INFO - ===============================================
-2024-12-04 00:18:23,327 - INFO - calculating Hamiltonian features...
-2024-12-04 00:18:23,327 - INFO - reading data from fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4
-2024-12-04 00:18:25,883 - INFO - finished reading FCIDUMP data.
-2024-12-04 00:18:25,883 - INFO - data['NORB']: 54
-2024-12-04 00:18:25,883 - INFO - len(data['H1']): 54
-2024-12-04 00:18:25,883 - INFO - ao2mo.restore...
-2024-12-04 00:18:25,910 - INFO - done.
-2024-12-04 00:18:25,910 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 00:18:25,910 - INFO - done.
-2024-12-04 00:18:25,910 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 00:36:59,198 - INFO - done.
-2024-12-04 00:36:59,198 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 00:38:37,127 - INFO - done.
-2024-12-04 00:38:37,127 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 00:38:47,443 - INFO - done.
-2024-12-04 00:38:47,444 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 00:38:49,554 - INFO - done.
-2024-12-04 00:38:49,554 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 00:38:49,555 - INFO - done.
-2024-12-04 00:38:49,555 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 00:38:49,555 - INFO - done.
-2024-12-04 00:38:50,519 - INFO - Hamiltonian features calculation run time (seconds): 1227.191765
-2024-12-04 00:38:50,520 - INFO - wrote df_eigs to file: df_eigs.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.bin
-2024-12-04 00:38:50,520 - INFO - deleting file fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-04 00:38:50,526 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 00:38:50,532 - INFO - this script has been running for 14.61 hours.
-2024-12-04 00:38:50,532 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-04 00:38:50,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-04 00:38:50,532 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 00:38:50,532 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 00:38:50,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 00:38:50,534 - INFO - number of orbitals:  88
-2024-12-04 00:38:50,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 00:38:50,534 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 00:38:50,534 - INFO - moving on ...
-2024-12-04 00:38:50,534 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 00:38:50,535 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 00:38:50,535 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 00:38:50,535 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 00:38:50,535 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 00:38:50,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 00:38:50,537 - INFO - attempting to process the Hamiltonian...
-2024-12-04 00:38:50,537 - INFO - number of supporting files: 1
-2024-12-04 00:38:50,537 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 00:38:50,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 00:38:50,537 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 00:38:50,546 - INFO - number of entries in Hamiltonian_features.csv:  132
-2024-12-04 00:38:50,546 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 00:38:50,546 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 00:38:50,546 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 00:38:50,546 - INFO - problem_instance short name: Fe_1
-2024-12-04 00:38:50,546 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 00:38:50,546 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 00:38:50,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 00:38:50,548 - INFO - attempting to process the Hamiltonian...
-2024-12-04 00:38:50,548 - INFO - number of supporting files: 2
-2024-12-04 00:38:50,548 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-04 00:38:50,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-04 00:38:50,548 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-04 00:38:50,556 - INFO - number of entries in Hamiltonian_features.csv:  132
-2024-12-04 00:38:50,557 - INFO - did NOT find instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 in database.
-2024-12-04 00:38:50,557 - INFO - Processing instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 ...
-2024-12-04 00:38:50,557 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz...
-2024-12-04 00:38:50,602 - INFO - Connected (version 2.0, client 0)
-2024-12-04 00:38:51,132 - INFO - Authentication (publickey) successful!
-2024-12-04 00:38:51,147 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 00:38:51,906 - INFO - [chan 0] sftp session closed.
-2024-12-04 00:38:51,907 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 00:38:51,907 - INFO - decompressing file fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz...
-2024-12-04 00:38:52,279 - INFO - this script has been running for 14.61 hours.
-2024-12-04 00:38:52,279 - INFO - ===============================================
-2024-12-04 00:38:52,279 - INFO - calculating Hamiltonian features...
-2024-12-04 00:38:52,279 - INFO - reading data from fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2
-2024-12-04 00:38:54,943 - INFO - finished reading FCIDUMP data.
-2024-12-04 00:38:54,944 - INFO - data['NORB']: 54
-2024-12-04 00:38:54,944 - INFO - len(data['H1']): 54
-2024-12-04 00:38:54,944 - INFO - ao2mo.restore...
-2024-12-04 00:38:54,972 - INFO - done.
-2024-12-04 00:38:54,972 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 00:38:54,972 - INFO - done.
-2024-12-04 00:38:54,972 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 00:55:58,194 - INFO - done.
-2024-12-04 00:55:58,194 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 00:56:42,613 - INFO - done.
-2024-12-04 00:56:42,613 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 00:56:47,249 - INFO - done.
-2024-12-04 00:56:47,249 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 00:56:49,053 - INFO - done.
-2024-12-04 00:56:49,053 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 00:56:49,053 - INFO - done.
-2024-12-04 00:56:49,053 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 00:56:49,053 - INFO - done.
-2024-12-04 00:56:49,496 - INFO - Hamiltonian features calculation run time (seconds): 1077.217071
-2024-12-04 00:56:49,496 - INFO - wrote df_eigs to file: df_eigs.b57e3b82-2511-4c00-a850-f6aeba98b0b2.bin
-2024-12-04 00:56:49,496 - INFO - deleting file fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-04 00:56:49,503 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 00:56:49,508 - INFO - this script has been running for 14.91 hours.
-2024-12-04 00:56:49,508 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-04 00:56:49,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-04 00:56:49,508 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 00:56:49,509 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 00:56:49,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 00:56:49,510 - INFO - number of orbitals:  88
-2024-12-04 00:56:49,510 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 00:56:49,510 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 00:56:49,510 - INFO - moving on ...
-2024-12-04 00:56:49,510 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 00:56:49,510 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 00:56:49,510 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 00:56:49,510 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 00:56:49,511 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 00:56:49,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 00:56:49,512 - INFO - attempting to process the Hamiltonian...
-2024-12-04 00:56:49,512 - INFO - number of supporting files: 2
-2024-12-04 00:56:49,512 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-04 00:56:49,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-04 00:56:49,512 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-04 00:56:49,520 - INFO - number of entries in Hamiltonian_features.csv:  133
-2024-12-04 00:56:49,521 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-04 00:56:49,521 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-04 00:56:49,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-04 00:56:49,521 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 00:56:49,521 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 00:56:49,521 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 00:56:49,522 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 00:56:49,522 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 00:56:49,522 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 00:56:49,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 00:56:49,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 00:56:49,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 00:56:49,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 00:56:49,524 - INFO - attempting to process the Hamiltonian...
-2024-12-04 00:56:49,524 - INFO - number of supporting files: 1
-2024-12-04 00:56:49,524 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-04 00:56:49,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-04 00:56:49,524 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-04 00:56:49,532 - INFO - number of entries in Hamiltonian_features.csv:  133
-2024-12-04 00:56:49,533 - INFO - did NOT find instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea in database.
-2024-12-04 00:56:49,533 - INFO - Processing instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea ...
-2024-12-04 00:56:49,533 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz...
-2024-12-04 00:56:49,579 - INFO - Connected (version 2.0, client 0)
-2024-12-04 00:56:50,105 - INFO - Authentication (publickey) successful!
-2024-12-04 00:56:50,129 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 00:56:51,012 - INFO - [chan 0] sftp session closed.
-2024-12-04 00:56:51,012 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 00:56:51,012 - INFO - decompressing file fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz...
-2024-12-04 00:56:51,356 - INFO - this script has been running for 14.91 hours.
-2024-12-04 00:56:51,356 - INFO - ===============================================
-2024-12-04 00:56:51,356 - INFO - calculating Hamiltonian features...
-2024-12-04 00:56:51,356 - INFO - reading data from fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea
-2024-12-04 00:56:54,556 - INFO - finished reading FCIDUMP data.
-2024-12-04 00:56:54,558 - INFO - data['NORB']: 55
-2024-12-04 00:56:54,558 - INFO - len(data['H1']): 55
-2024-12-04 00:56:54,558 - INFO - ao2mo.restore...
-2024-12-04 00:56:54,585 - INFO - done.
-2024-12-04 00:56:54,585 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 00:56:54,585 - INFO - done.
-2024-12-04 00:56:54,585 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 01:36:54,061 - INFO - done.
-2024-12-04 01:36:54,061 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 01:40:10,455 - INFO - done.
-2024-12-04 01:40:10,455 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 01:40:33,240 - INFO - done.
-2024-12-04 01:40:33,240 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 01:40:35,365 - INFO - done.
-2024-12-04 01:40:35,365 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 01:40:35,365 - INFO - done.
-2024-12-04 01:40:35,365 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 01:40:35,365 - INFO - done.
-2024-12-04 01:40:37,132 - INFO - Hamiltonian features calculation run time (seconds): 2625.775803
-2024-12-04 01:40:37,132 - INFO - wrote df_eigs to file: df_eigs.4476d0ff-9618-4774-9619-e3f223249cea.bin
-2024-12-04 01:40:37,132 - INFO - deleting file fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-04 01:40:37,139 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 01:40:37,146 - INFO - this script has been running for 15.64 hours.
-2024-12-04 01:40:37,146 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 01:40:37,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 01:40:37,147 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 01:40:37,147 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 01:40:37,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 01:40:37,149 - INFO - number of orbitals:  70
-2024-12-04 01:40:37,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 01:40:37,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 01:40:37,149 - INFO - moving on ...
-2024-12-04 01:40:37,149 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 01:40:37,149 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 01:40:37,149 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 01:40:37,149 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 01:40:37,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 01:40:37,151 - INFO - attempting to process the Hamiltonian...
-2024-12-04 01:40:37,151 - INFO - number of supporting files: 1
-2024-12-04 01:40:37,151 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-04 01:40:37,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-04 01:40:37,151 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-04 01:40:37,160 - INFO - number of entries in Hamiltonian_features.csv:  134
-2024-12-04 01:40:37,160 - INFO - did NOT find instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 in database.
-2024-12-04 01:40:37,160 - INFO - Processing instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 ...
-2024-12-04 01:40:37,160 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz...
-2024-12-04 01:40:37,203 - INFO - Connected (version 2.0, client 0)
-2024-12-04 01:40:37,737 - INFO - Authentication (publickey) successful!
-2024-12-04 01:40:37,756 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 01:40:38,578 - INFO - [chan 0] sftp session closed.
-2024-12-04 01:40:38,578 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 01:40:38,578 - INFO - decompressing file fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz...
-2024-12-04 01:40:38,910 - INFO - this script has been running for 15.64 hours.
-2024-12-04 01:40:38,910 - INFO - ===============================================
-2024-12-04 01:40:38,910 - INFO - calculating Hamiltonian features...
-2024-12-04 01:40:38,910 - INFO - reading data from fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70
-2024-12-04 01:40:41,752 - INFO - finished reading FCIDUMP data.
-2024-12-04 01:40:41,752 - INFO - data['NORB']: 55
-2024-12-04 01:40:41,752 - INFO - len(data['H1']): 55
-2024-12-04 01:40:41,752 - INFO - ao2mo.restore...
-2024-12-04 01:40:41,778 - INFO - done.
-2024-12-04 01:40:41,778 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 01:40:41,778 - INFO - done.
-2024-12-04 01:40:41,778 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 02:16:47,573 - INFO - done.
-2024-12-04 02:16:47,573 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 02:20:00,200 - INFO - done.
-2024-12-04 02:20:00,201 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 02:20:22,445 - INFO - done.
-2024-12-04 02:20:22,445 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 02:20:24,295 - INFO - done.
-2024-12-04 02:20:24,296 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 02:20:24,296 - INFO - done.
-2024-12-04 02:20:24,296 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 02:20:24,296 - INFO - done.
-2024-12-04 02:20:25,914 - INFO - Hamiltonian features calculation run time (seconds): 2387.003533
-2024-12-04 02:20:25,914 - INFO - wrote df_eigs to file: df_eigs.f6516937-6182-4dae-a39c-f94c0d72bf70.bin
-2024-12-04 02:20:25,914 - INFO - deleting file fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-04 02:20:25,921 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 02:20:25,928 - INFO - this script has been running for 16.31 hours.
-2024-12-04 02:20:25,928 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 02:20:25,928 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:20:25,928 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:20:25,928 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:20:25,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:20:25,930 - INFO - number of orbitals:  69
-2024-12-04 02:20:25,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 02:20:25,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 02:20:25,930 - INFO - moving on ...
-2024-12-04 02:20:25,930 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 02:20:25,930 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:20:25,931 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:20:25,931 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:20:25,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:20:25,932 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:20:25,932 - INFO - number of supporting files: 1
-2024-12-04 02:20:25,933 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 02:20:25,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 02:20:25,933 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 02:20:25,941 - INFO - number of entries in Hamiltonian_features.csv:  135
-2024-12-04 02:20:25,941 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 02:20:25,941 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 02:20:25,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:20:25,942 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:20:25,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:20:25,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:20:25,944 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:20:25,944 - INFO - number of supporting files: 1
-2024-12-04 02:20:25,944 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-04 02:20:25,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-04 02:20:25,944 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-04 02:20:25,952 - INFO - number of entries in Hamiltonian_features.csv:  135
-2024-12-04 02:20:25,953 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-04 02:20:25,953 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 02:20:25,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:20:25,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:20:25,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:20:25,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:20:25,955 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:20:25,955 - INFO - number of supporting files: 1
-2024-12-04 02:20:25,955 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-04 02:20:25,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-04 02:20:25,955 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-04 02:20:25,964 - INFO - number of entries in Hamiltonian_features.csv:  135
-2024-12-04 02:20:25,964 - INFO - did NOT find instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd in database.
-2024-12-04 02:20:25,964 - INFO - Processing instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd ...
-2024-12-04 02:20:25,964 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz...
-2024-12-04 02:20:26,007 - INFO - Connected (version 2.0, client 0)
-2024-12-04 02:20:26,538 - INFO - Authentication (publickey) successful!
-2024-12-04 02:20:26,553 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 02:20:27,318 - INFO - [chan 0] sftp session closed.
-2024-12-04 02:20:27,318 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 02:20:27,318 - INFO - decompressing file fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz...
-2024-12-04 02:20:27,650 - INFO - this script has been running for 16.31 hours.
-2024-12-04 02:20:27,650 - INFO - ===============================================
-2024-12-04 02:20:27,650 - INFO - calculating Hamiltonian features...
-2024-12-04 02:20:27,650 - INFO - reading data from fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd
-2024-12-04 02:20:30,227 - INFO - finished reading FCIDUMP data.
-2024-12-04 02:20:30,227 - INFO - data['NORB']: 55
-2024-12-04 02:20:30,227 - INFO - len(data['H1']): 55
-2024-12-04 02:20:30,227 - INFO - ao2mo.restore...
-2024-12-04 02:20:30,252 - INFO - done.
-2024-12-04 02:20:30,253 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 02:20:30,253 - INFO - done.
-2024-12-04 02:20:30,253 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 02:56:13,123 - INFO - done.
-2024-12-04 02:56:13,123 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 02:59:21,077 - INFO - done.
-2024-12-04 02:59:21,077 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 02:59:41,769 - INFO - done.
-2024-12-04 02:59:41,769 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 02:59:43,621 - INFO - done.
-2024-12-04 02:59:43,621 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 02:59:43,622 - INFO - done.
-2024-12-04 02:59:43,622 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 02:59:43,622 - INFO - done.
-2024-12-04 02:59:45,334 - INFO - Hamiltonian features calculation run time (seconds): 2357.683716
-2024-12-04 02:59:45,334 - INFO - wrote df_eigs to file: df_eigs.2e1dab84-5b1a-4521-8d36-78117ab88bbd.bin
-2024-12-04 02:59:45,334 - INFO - deleting file fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-04 02:59:45,341 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 02:59:45,347 - INFO - this script has been running for 16.96 hours.
-2024-12-04 02:59:45,347 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 02:59:45,347 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:59:45,348 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:59:45,348 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:59:45,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,349 - INFO - number of orbitals:  69
-2024-12-04 02:59:45,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 02:59:45,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 02:59:45,350 - INFO - moving on ...
-2024-12-04 02:59:45,350 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 02:59:45,350 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:59:45,350 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:59:45,350 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:59:45,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,351 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,351 - INFO - number of supporting files: 1
-2024-12-04 02:59:45,351 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 02:59:45,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 02:59:45,352 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 02:59:45,360 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,360 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,360 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 02:59:45,360 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:59:45,360 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:59:45,360 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:59:45,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,362 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,362 - INFO - number of supporting files: 1
-2024-12-04 02:59:45,362 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-04 02:59:45,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-04 02:59:45,362 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-04 02:59:45,370 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,371 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,371 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 02:59:45,371 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:59:45,371 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:59:45,371 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:59:45,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,373 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,373 - INFO - number of supporting files: 1
-2024-12-04 02:59:45,373 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 02:59:45,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 02:59:45,373 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 02:59:45,381 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,381 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,381 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 02:59:45,381 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:59:45,381 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:59:45,381 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:59:45,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,383 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,383 - INFO - number of supporting files: 1
-2024-12-04 02:59:45,383 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-04 02:59:45,383 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-04 02:59:45,383 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-04 02:59:45,391 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,391 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,391 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 02:59:45,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:59:45,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:59:45,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:59:45,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,393 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,393 - INFO - number of supporting files: 1
-2024-12-04 02:59:45,393 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 02:59:45,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 02:59:45,393 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 02:59:45,401 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,401 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,401 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 02:59:45,401 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:59:45,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:59:45,401 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:59:45,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,403 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,403 - INFO - number of supporting files: 1
-2024-12-04 02:59:45,403 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-04 02:59:45,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-04 02:59:45,403 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-04 02:59:45,411 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,411 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,411 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 02:59:45,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:59:45,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:59:45,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:59:45,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,413 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,413 - INFO - number of supporting files: 1
-2024-12-04 02:59:45,413 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 02:59:45,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 02:59:45,413 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 02:59:45,421 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,421 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,421 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 02:59:45,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 02:59:45,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 02:59:45,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 02:59:45,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,423 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,423 - INFO - number of supporting files: 1
-2024-12-04 02:59:45,423 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-04 02:59:45,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-04 02:59:45,423 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-04 02:59:45,431 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,432 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,432 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 02:59:45,432 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 02:59:45,432 - INFO - problem_instance short name: VO_0
-2024-12-04 02:59:45,432 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 02:59:45,432 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 02:59:45,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,433 - INFO - number of orbitals:  76
-2024-12-04 02:59:45,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 02:59:45,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 02:59:45,433 - INFO - moving on ...
-2024-12-04 02:59:45,434 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 02:59:45,434 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 02:59:45,434 - INFO - problem_instance short name: na_cl_0
-2024-12-04 02:59:45,434 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 02:59:45,434 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 02:59:45,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,435 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,435 - INFO - number of supporting files: 2
-2024-12-04 02:59:45,435 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 02:59:45,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 02:59:45,435 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 02:59:45,443 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,443 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,443 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 02:59:45,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 02:59:45,443 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 02:59:45,443 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 02:59:45,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,444 - INFO - number of orbitals:  118
-2024-12-04 02:59:45,444 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 02:59:45,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 02:59:45,444 - INFO - moving on ...
-2024-12-04 02:59:45,444 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 02:59:45,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,445 - INFO - number of orbitals:  68
-2024-12-04 02:59:45,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 02:59:45,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 02:59:45,445 - INFO - moving on ...
-2024-12-04 02:59:45,445 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 02:59:45,446 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 02:59:45,446 - INFO - problem_instance short name: O_0
-2024-12-04 02:59:45,446 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 02:59:45,446 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 02:59:45,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,447 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,447 - INFO - number of supporting files: 2
-2024-12-04 02:59:45,447 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 02:59:45,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 02:59:45,447 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 02:59:45,454 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,455 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,455 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 02:59:45,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 02:59:45,455 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 02:59:45,455 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 02:59:45,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,456 - INFO - number of orbitals:  79
-2024-12-04 02:59:45,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 02:59:45,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 02:59:45,456 - INFO - moving on ...
-2024-12-04 02:59:45,456 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 02:59:45,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,457 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,457 - INFO - number of supporting files: 2
-2024-12-04 02:59:45,457 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-04 02:59:45,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-04 02:59:45,457 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-04 02:59:45,465 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,465 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,465 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-04 02:59:45,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-04 02:59:45,465 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 02:59:45,465 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 02:59:45,465 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 02:59:45,465 - INFO - problem_instance short name: h2_s_0
-2024-12-04 02:59:45,465 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 02:59:45,465 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 02:59:45,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,466 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,467 - INFO - number of supporting files: 2
-2024-12-04 02:59:45,467 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 02:59:45,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 02:59:45,467 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 02:59:45,474 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,475 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 02:59:45,475 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 02:59:45,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 02:59:45,475 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 02:59:45,475 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 02:59:45,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,476 - INFO - number of orbitals:  119
-2024-12-04 02:59:45,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 02:59:45,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 02:59:45,476 - INFO - moving on ...
-2024-12-04 02:59:45,476 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 02:59:45,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,477 - INFO - number of orbitals:  62
-2024-12-04 02:59:45,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 02:59:45,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 02:59:45,478 - INFO - moving on ...
-2024-12-04 02:59:45,478 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 02:59:45,478 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 02:59:45,478 - INFO - problem_instance short name: Cr_1
-2024-12-04 02:59:45,478 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 02:59:45,478 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 02:59:45,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 02:59:45,479 - INFO - attempting to process the Hamiltonian...
-2024-12-04 02:59:45,479 - INFO - number of supporting files: 2
-2024-12-04 02:59:45,479 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-04 02:59:45,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-04 02:59:45,479 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-04 02:59:45,488 - INFO - number of entries in Hamiltonian_features.csv:  136
-2024-12-04 02:59:45,488 - INFO - did NOT find instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca in database.
-2024-12-04 02:59:45,488 - INFO - Processing instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca ...
-2024-12-04 02:59:45,488 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz...
-2024-12-04 02:59:45,539 - INFO - Connected (version 2.0, client 0)
-2024-12-04 02:59:46,207 - INFO - Authentication (publickey) successful!
-2024-12-04 02:59:46,236 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 02:59:46,621 - INFO - [chan 0] sftp session closed.
-2024-12-04 02:59:46,622 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 02:59:46,622 - INFO - decompressing file fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz...
-2024-12-04 02:59:46,788 - INFO - this script has been running for 16.96 hours.
-2024-12-04 02:59:46,788 - INFO - ===============================================
-2024-12-04 02:59:46,788 - INFO - calculating Hamiltonian features...
-2024-12-04 02:59:46,788 - INFO - reading data from fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca
-2024-12-04 02:59:48,161 - INFO - finished reading FCIDUMP data.
-2024-12-04 02:59:48,162 - INFO - data['NORB']: 54
-2024-12-04 02:59:48,162 - INFO - len(data['H1']): 54
-2024-12-04 02:59:48,162 - INFO - ao2mo.restore...
-2024-12-04 02:59:48,186 - INFO - done.
-2024-12-04 02:59:48,186 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 02:59:48,187 - INFO - done.
-2024-12-04 02:59:48,187 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 03:08:19,869 - INFO - done.
-2024-12-04 03:08:19,869 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 03:08:40,932 - INFO - done.
-2024-12-04 03:08:40,932 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 03:08:43,036 - INFO - done.
-2024-12-04 03:08:43,036 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 03:08:44,673 - INFO - done.
-2024-12-04 03:08:44,673 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 03:08:44,673 - INFO - done.
-2024-12-04 03:08:44,673 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 03:08:44,673 - INFO - done.
-2024-12-04 03:08:44,930 - INFO - Hamiltonian features calculation run time (seconds): 538.141344
-2024-12-04 03:08:44,930 - INFO - wrote df_eigs to file: df_eigs.69a1826c-1bee-4855-8f5f-5df29035bfca.bin
-2024-12-04 03:08:44,930 - INFO - deleting file fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-04 03:08:44,933 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 03:08:44,938 - INFO - this script has been running for 17.11 hours.
-2024-12-04 03:08:44,938 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-04 03:08:44,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-04 03:08:44,939 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:08:44,939 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 03:08:44,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,940 - INFO - number of orbitals:  135
-2024-12-04 03:08:44,940 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:44,940 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:44,940 - INFO - moving on ...
-2024-12-04 03:08:44,940 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 03:08:44,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,942 - INFO - number of orbitals:  88
-2024-12-04 03:08:44,942 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:44,942 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:44,942 - INFO - moving on ...
-2024-12-04 03:08:44,942 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 03:08:44,942 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 03:08:44,942 - INFO - problem_instance short name: c_h4_0
-2024-12-04 03:08:44,942 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 03:08:44,942 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 03:08:44,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,943 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:08:44,943 - INFO - number of supporting files: 2
-2024-12-04 03:08:44,943 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 03:08:44,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 03:08:44,943 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 03:08:44,952 - INFO - number of entries in Hamiltonian_features.csv:  137
-2024-12-04 03:08:44,952 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 03:08:44,952 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 03:08:44,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 03:08:44,952 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:08:44,952 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 03:08:44,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,954 - INFO - number of orbitals:  86
-2024-12-04 03:08:44,954 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:44,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:44,954 - INFO - moving on ...
-2024-12-04 03:08:44,954 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 03:08:44,954 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 03:08:44,954 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 03:08:44,954 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 03:08:44,954 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 03:08:44,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,955 - INFO - number of orbitals:  69
-2024-12-04 03:08:44,955 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:44,955 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:44,955 - INFO - moving on ...
-2024-12-04 03:08:44,955 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 03:08:44,956 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 03:08:44,956 - INFO - problem_instance short name: TiO_0
-2024-12-04 03:08:44,956 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 03:08:44,956 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 03:08:44,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,957 - INFO - number of orbitals:  76
-2024-12-04 03:08:44,957 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:44,957 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:44,957 - INFO - moving on ...
-2024-12-04 03:08:44,957 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 03:08:44,957 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 03:08:44,957 - INFO - problem_instance short name: cr_dimer
-2024-12-04 03:08:44,957 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 03:08:44,957 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 03:08:44,957 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:44,957 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:44,957 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:44,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,959 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:08:44,959 - INFO - number of supporting files: 1
-2024-12-04 03:08:44,959 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 03:08:44,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 03:08:44,959 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 03:08:44,967 - INFO - number of entries in Hamiltonian_features.csv:  137
-2024-12-04 03:08:44,968 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 03:08:44,968 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 03:08:44,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:44,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:44,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:44,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,970 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:08:44,970 - INFO - number of supporting files: 1
-2024-12-04 03:08:44,970 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 03:08:44,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 03:08:44,970 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 03:08:44,979 - INFO - number of entries in Hamiltonian_features.csv:  137
-2024-12-04 03:08:44,979 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 03:08:44,979 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 03:08:44,979 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:44,979 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:44,979 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:44,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,981 - INFO - number of orbitals:  68
-2024-12-04 03:08:44,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:44,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:44,981 - INFO - moving on ...
-2024-12-04 03:08:44,981 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 03:08:44,981 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:44,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:44,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:44,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,983 - INFO - number of orbitals:  76
-2024-12-04 03:08:44,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:44,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:44,983 - INFO - moving on ...
-2024-12-04 03:08:44,983 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 03:08:44,983 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:44,983 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:44,983 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:44,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,985 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:08:44,985 - INFO - number of supporting files: 1
-2024-12-04 03:08:44,985 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 03:08:44,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 03:08:44,985 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 03:08:44,993 - INFO - number of entries in Hamiltonian_features.csv:  137
-2024-12-04 03:08:44,994 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 03:08:44,994 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 03:08:44,994 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:44,994 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:44,994 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:44,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:44,996 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:08:44,996 - INFO - number of supporting files: 1
-2024-12-04 03:08:44,996 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 03:08:44,996 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 03:08:44,996 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 03:08:45,004 - INFO - number of entries in Hamiltonian_features.csv:  137
-2024-12-04 03:08:45,005 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 03:08:45,005 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 03:08:45,005 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:45,005 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:45,005 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:45,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:45,007 - INFO - number of orbitals:  68
-2024-12-04 03:08:45,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:45,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:45,007 - INFO - moving on ...
-2024-12-04 03:08:45,007 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 03:08:45,007 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:45,007 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:45,007 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:45,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:45,009 - INFO - number of orbitals:  76
-2024-12-04 03:08:45,009 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:45,009 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:45,009 - INFO - moving on ...
-2024-12-04 03:08:45,009 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 03:08:45,009 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:45,009 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:45,009 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:45,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:45,010 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:08:45,010 - INFO - number of supporting files: 1
-2024-12-04 03:08:45,011 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 03:08:45,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 03:08:45,011 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 03:08:45,019 - INFO - number of entries in Hamiltonian_features.csv:  137
-2024-12-04 03:08:45,019 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 03:08:45,019 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 03:08:45,019 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:45,019 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:45,019 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:45,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:45,021 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:08:45,021 - INFO - number of supporting files: 1
-2024-12-04 03:08:45,021 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 03:08:45,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 03:08:45,021 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 03:08:45,029 - INFO - number of entries in Hamiltonian_features.csv:  137
-2024-12-04 03:08:45,030 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 03:08:45,030 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 03:08:45,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:45,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:45,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:45,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:45,032 - INFO - number of orbitals:  68
-2024-12-04 03:08:45,032 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:45,032 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:45,032 - INFO - moving on ...
-2024-12-04 03:08:45,032 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 03:08:45,032 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:08:45,032 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:08:45,032 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:08:45,033 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:45,034 - INFO - number of orbitals:  76
-2024-12-04 03:08:45,034 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 03:08:45,034 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:45,034 - INFO - moving on ...
-2024-12-04 03:08:45,034 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 03:08:45,034 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 03:08:45,034 - INFO - problem_instance short name: f2_0
-2024-12-04 03:08:45,034 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 03:08:45,034 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 03:08:45,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:45,036 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:08:45,036 - INFO - number of supporting files: 2
-2024-12-04 03:08:45,036 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 03:08:45,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 03:08:45,036 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 03:08:45,044 - INFO - number of entries in Hamiltonian_features.csv:  137
-2024-12-04 03:08:45,044 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 03:08:45,044 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 03:08:45,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 03:08:45,045 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:08:45,045 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 03:08:45,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:45,046 - INFO - number of orbitals:  110
-2024-12-04 03:08:45,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:08:45,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:08:45,046 - INFO - moving on ...
-2024-12-04 03:08:45,046 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 03:08:45,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:08:45,047 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:08:45,047 - INFO - number of supporting files: 2
-2024-12-04 03:08:45,047 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-04 03:08:45,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-04 03:08:45,048 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-04 03:08:45,056 - INFO - number of entries in Hamiltonian_features.csv:  137
-2024-12-04 03:08:45,056 - INFO - did NOT find instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 in database.
-2024-12-04 03:08:45,056 - INFO - Processing instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 ...
-2024-12-04 03:08:45,056 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz...
-2024-12-04 03:08:45,103 - INFO - Connected (version 2.0, client 0)
-2024-12-04 03:08:45,619 - INFO - Authentication (publickey) successful!
-2024-12-04 03:08:45,635 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 03:08:47,031 - INFO - [chan 0] sftp session closed.
-2024-12-04 03:08:47,031 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 03:08:47,031 - INFO - decompressing file fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz...
-2024-12-04 03:08:47,469 - INFO - this script has been running for 17.11 hours.
-2024-12-04 03:08:47,469 - INFO - ===============================================
-2024-12-04 03:08:47,469 - INFO - calculating Hamiltonian features...
-2024-12-04 03:08:47,469 - INFO - reading data from fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694
-2024-12-04 03:08:50,843 - INFO - finished reading FCIDUMP data.
-2024-12-04 03:08:50,843 - INFO - data['NORB']: 60
-2024-12-04 03:08:50,843 - INFO - len(data['H1']): 60
-2024-12-04 03:08:50,843 - INFO - ao2mo.restore...
-2024-12-04 03:08:50,880 - INFO - done.
-2024-12-04 03:08:50,881 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 03:08:50,881 - INFO - done.
-2024-12-04 03:08:50,881 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 03:29:36,859 - INFO - done.
-2024-12-04 03:29:36,859 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 03:30:37,992 - INFO - done.
-2024-12-04 03:30:37,992 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 03:30:44,529 - INFO - done.
-2024-12-04 03:30:44,530 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 03:30:47,307 - INFO - done.
-2024-12-04 03:30:47,307 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 03:30:47,307 - INFO - done.
-2024-12-04 03:30:47,308 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 03:30:47,308 - INFO - done.
-2024-12-04 03:30:47,945 - INFO - Hamiltonian features calculation run time (seconds): 1320.475286
-2024-12-04 03:30:47,945 - INFO - wrote df_eigs to file: df_eigs.3c3967d4-17c1-4947-9465-b9223b01e694.bin
-2024-12-04 03:30:47,945 - INFO - deleting file fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-04 03:30:47,953 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 03:30:47,959 - INFO - this script has been running for 17.48 hours.
-2024-12-04 03:30:47,959 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-04 03:30:47,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-04 03:30:47,959 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:47,959 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 03:30:47,959 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 03:30:47,959 - INFO - problem_instance short name: be_0
-2024-12-04 03:30:47,959 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 03:30:47,959 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 03:30:47,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:47,961 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:47,961 - INFO - number of supporting files: 2
-2024-12-04 03:30:47,961 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 03:30:47,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 03:30:47,961 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 03:30:47,968 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:47,969 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 03:30:47,969 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 03:30:47,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 03:30:47,969 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:47,969 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 03:30:47,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:47,970 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:47,970 - INFO - number of supporting files: 2
-2024-12-04 03:30:47,970 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-04 03:30:47,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-04 03:30:47,970 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-04 03:30:47,978 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:47,978 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-04 03:30:47,979 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-04 03:30:47,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-04 03:30:47,979 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:47,979 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 03:30:47,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:47,980 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:47,980 - INFO - number of supporting files: 2
-2024-12-04 03:30:47,980 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 03:30:47,980 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 03:30:47,980 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 03:30:47,988 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:47,988 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 03:30:47,988 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 03:30:47,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 03:30:47,988 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:47,988 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 03:30:47,988 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 03:30:47,988 - INFO - problem_instance short name: n_h3_0
-2024-12-04 03:30:47,988 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 03:30:47,988 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 03:30:47,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:47,990 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:47,990 - INFO - number of supporting files: 2
-2024-12-04 03:30:47,990 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 03:30:47,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 03:30:47,990 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 03:30:47,997 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:47,998 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 03:30:47,998 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 03:30:47,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 03:30:47,998 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:47,998 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 03:30:47,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:47,999 - INFO - number of orbitals:  72
-2024-12-04 03:30:47,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:47,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,000 - INFO - moving on ...
-2024-12-04 03:30:48,000 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 03:30:48,000 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 03:30:48,000 - INFO - problem_instance short name: cr_dimer
-2024-12-04 03:30:48,000 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,000 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 03:30:48,000 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,000 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,000 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,002 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,002 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,002 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 03:30:48,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 03:30:48,002 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 03:30:48,009 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,009 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,009 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 03:30:48,009 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,011 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,011 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,011 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 03:30:48,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 03:30:48,011 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 03:30:48,019 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,019 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,019 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 03:30:48,019 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,019 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,019 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,021 - INFO - number of orbitals:  68
-2024-12-04 03:30:48,021 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,021 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,021 - INFO - moving on ...
-2024-12-04 03:30:48,021 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 03:30:48,021 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,021 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,021 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,023 - INFO - number of orbitals:  76
-2024-12-04 03:30:48,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,023 - INFO - moving on ...
-2024-12-04 03:30:48,023 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 03:30:48,023 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,023 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,023 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,024 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,025 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,025 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 03:30:48,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 03:30:48,025 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 03:30:48,032 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,032 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,032 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 03:30:48,032 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,033 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,033 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,034 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,034 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,034 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 03:30:48,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 03:30:48,034 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 03:30:48,042 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,042 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,042 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 03:30:48,042 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,042 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,042 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,044 - INFO - number of orbitals:  68
-2024-12-04 03:30:48,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,044 - INFO - moving on ...
-2024-12-04 03:30:48,044 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 03:30:48,044 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,044 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,046 - INFO - number of orbitals:  76
-2024-12-04 03:30:48,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,046 - INFO - moving on ...
-2024-12-04 03:30:48,046 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 03:30:48,046 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,046 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,046 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,047 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,047 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,047 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 03:30:48,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 03:30:48,047 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 03:30:48,055 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,055 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,055 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 03:30:48,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,055 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,055 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,056 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,057 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,057 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 03:30:48,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 03:30:48,057 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 03:30:48,064 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,064 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,064 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 03:30:48,064 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,066 - INFO - number of orbitals:  68
-2024-12-04 03:30:48,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,066 - INFO - moving on ...
-2024-12-04 03:30:48,066 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 03:30:48,066 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,066 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,066 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,067 - INFO - number of orbitals:  76
-2024-12-04 03:30:48,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,067 - INFO - moving on ...
-2024-12-04 03:30:48,067 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 03:30:48,068 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 03:30:48,068 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 03:30:48,068 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,068 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 03:30:48,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,069 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,069 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,069 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-04 03:30:48,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-04 03:30:48,069 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-04 03:30:48,077 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,077 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,077 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-04 03:30:48,077 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-04 03:30:48,077 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:48,077 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 03:30:48,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,078 - INFO - number of orbitals:  116
-2024-12-04 03:30:48,079 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,079 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,079 - INFO - moving on ...
-2024-12-04 03:30:48,079 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 03:30:48,079 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 03:30:48,079 - INFO - problem_instance short name: ozone
-2024-12-04 03:30:48,079 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,079 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 03:30:48,079 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,079 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,079 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,081 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,081 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,081 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-04 03:30:48,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-04 03:30:48,081 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-04 03:30:48,089 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,089 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,089 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 03:30:48,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,091 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,091 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,091 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 03:30:48,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 03:30:48,091 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 03:30:48,099 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,099 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,099 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 03:30:48,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,101 - INFO - number of orbitals:  90
-2024-12-04 03:30:48,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,101 - INFO - moving on ...
-2024-12-04 03:30:48,101 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 03:30:48,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,102 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,102 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,103 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,103 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,103 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-04 03:30:48,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-04 03:30:48,103 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-04 03:30:48,110 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,111 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,111 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 03:30:48,111 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,111 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,111 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,112 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,112 - INFO - number of supporting files: 1
-2024-12-04 03:30:48,112 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 03:30:48,112 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 03:30:48,113 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 03:30:48,120 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,120 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,120 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 03:30:48,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 03:30:48,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 03:30:48,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 03:30:48,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,122 - INFO - number of orbitals:  90
-2024-12-04 03:30:48,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,122 - INFO - moving on ...
-2024-12-04 03:30:48,122 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 03:30:48,122 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 03:30:48,122 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 03:30:48,122 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,122 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 03:30:48,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,124 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,124 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,124 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-04 03:30:48,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-04 03:30:48,124 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-04 03:30:48,131 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,132 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,132 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-04 03:30:48,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-04 03:30:48,132 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:48,132 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 03:30:48,132 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 03:30:48,132 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 03:30:48,132 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,132 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 03:30:48,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,133 - INFO - number of orbitals:  69
-2024-12-04 03:30:48,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,133 - INFO - moving on ...
-2024-12-04 03:30:48,133 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 03:30:48,133 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 03:30:48,133 - INFO - problem_instance short name: O_0
-2024-12-04 03:30:48,133 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,133 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 03:30:48,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,135 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,135 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,135 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 03:30:48,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 03:30:48,135 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 03:30:48,142 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,142 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,142 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 03:30:48,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 03:30:48,143 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:48,143 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 03:30:48,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,144 - INFO - number of orbitals:  79
-2024-12-04 03:30:48,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,144 - INFO - moving on ...
-2024-12-04 03:30:48,144 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 03:30:48,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,145 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,145 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,145 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-04 03:30:48,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-04 03:30:48,145 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-04 03:30:48,153 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,153 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,153 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-04 03:30:48,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-04 03:30:48,153 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:48,153 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 03:30:48,153 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 03:30:48,153 - INFO - problem_instance short name: s_o2_0
-2024-12-04 03:30:48,153 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,153 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 03:30:48,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,154 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,155 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,155 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-04 03:30:48,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-04 03:30:48,155 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-04 03:30:48,162 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,163 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,163 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-04 03:30:48,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-04 03:30:48,163 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:48,163 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 03:30:48,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,164 - INFO - number of orbitals:  94
-2024-12-04 03:30:48,164 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,164 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,164 - INFO - moving on ...
-2024-12-04 03:30:48,164 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 03:30:48,164 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 03:30:48,164 - INFO - problem_instance short name: h_f_0
-2024-12-04 03:30:48,164 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,165 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 03:30:48,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,166 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,166 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,166 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 03:30:48,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 03:30:48,166 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 03:30:48,174 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,174 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,174 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 03:30:48,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 03:30:48,174 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:48,174 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 03:30:48,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,176 - INFO - number of orbitals:  85
-2024-12-04 03:30:48,176 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,176 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,176 - INFO - moving on ...
-2024-12-04 03:30:48,176 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 03:30:48,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,177 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,177 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,177 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-04 03:30:48,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-04 03:30:48,177 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-04 03:30:48,185 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,185 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,185 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-04 03:30:48,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-04 03:30:48,185 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:48,185 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 03:30:48,185 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 03:30:48,186 - INFO - problem_instance short name: VO_0
-2024-12-04 03:30:48,186 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,186 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 03:30:48,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,187 - INFO - number of orbitals:  76
-2024-12-04 03:30:48,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,187 - INFO - moving on ...
-2024-12-04 03:30:48,187 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 03:30:48,187 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 03:30:48,187 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 03:30:48,187 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,187 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 03:30:48,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,188 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,189 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,189 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-04 03:30:48,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-04 03:30:48,189 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-04 03:30:48,196 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,197 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,197 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-04 03:30:48,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-04 03:30:48,197 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:48,197 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 03:30:48,197 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 03:30:48,197 - INFO - problem_instance short name: li_f_0
-2024-12-04 03:30:48,197 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 03:30:48,197 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 03:30:48,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,198 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,198 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,198 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 03:30:48,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 03:30:48,198 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 03:30:48,206 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,207 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 03:30:48,207 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 03:30:48,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 03:30:48,207 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:30:48,207 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 03:30:48,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,208 - INFO - number of orbitals:  110
-2024-12-04 03:30:48,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:30:48,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:30:48,208 - INFO - moving on ...
-2024-12-04 03:30:48,208 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 03:30:48,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:30:48,209 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:30:48,209 - INFO - number of supporting files: 2
-2024-12-04 03:30:48,209 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-04 03:30:48,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-04 03:30:48,210 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-04 03:30:48,217 - INFO - number of entries in Hamiltonian_features.csv:  138
-2024-12-04 03:30:48,217 - INFO - did NOT find instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c in database.
-2024-12-04 03:30:48,218 - INFO - Processing instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c ...
-2024-12-04 03:30:48,218 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz...
-2024-12-04 03:30:48,265 - INFO - Connected (version 2.0, client 0)
-2024-12-04 03:30:48,819 - INFO - Authentication (publickey) successful!
-2024-12-04 03:30:48,836 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 03:30:49,893 - INFO - [chan 0] sftp session closed.
-2024-12-04 03:30:49,894 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 03:30:49,894 - INFO - decompressing file fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz...
-2024-12-04 03:30:50,272 - INFO - this script has been running for 17.48 hours.
-2024-12-04 03:30:50,272 - INFO - ===============================================
-2024-12-04 03:30:50,272 - INFO - calculating Hamiltonian features...
-2024-12-04 03:30:50,272 - INFO - reading data from fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c
-2024-12-04 03:30:53,393 - INFO - finished reading FCIDUMP data.
-2024-12-04 03:30:53,393 - INFO - data['NORB']: 60
-2024-12-04 03:30:53,393 - INFO - len(data['H1']): 60
-2024-12-04 03:30:53,393 - INFO - ao2mo.restore...
-2024-12-04 03:30:53,426 - INFO - done.
-2024-12-04 03:30:53,426 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 03:30:53,427 - INFO - done.
-2024-12-04 03:30:53,427 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 03:52:44,195 - INFO - done.
-2024-12-04 03:52:44,195 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 03:54:42,061 - INFO - done.
-2024-12-04 03:54:42,061 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 03:54:55,408 - INFO - done.
-2024-12-04 03:54:55,409 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 03:54:58,266 - INFO - done.
-2024-12-04 03:54:58,266 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 03:54:58,266 - INFO - done.
-2024-12-04 03:54:58,266 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 03:54:58,267 - INFO - done.
-2024-12-04 03:54:59,263 - INFO - Hamiltonian features calculation run time (seconds): 1448.991225
-2024-12-04 03:54:59,264 - INFO - wrote df_eigs to file: df_eigs.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.bin
-2024-12-04 03:54:59,264 - INFO - deleting file fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-04 03:54:59,272 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 03:54:59,278 - INFO - this script has been running for 17.88 hours.
-2024-12-04 03:54:59,278 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-04 03:54:59,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-04 03:54:59,278 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:54:59,278 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 03:54:59,278 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 03:54:59,278 - INFO - problem_instance short name: c_o_0
-2024-12-04 03:54:59,278 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 03:54:59,278 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 03:54:59,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:54:59,280 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:54:59,280 - INFO - number of supporting files: 2
-2024-12-04 03:54:59,280 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 03:54:59,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 03:54:59,280 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 03:54:59,288 - INFO - number of entries in Hamiltonian_features.csv:  139
-2024-12-04 03:54:59,288 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 03:54:59,288 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 03:54:59,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 03:54:59,288 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 03:54:59,288 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 03:54:59,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:54:59,290 - INFO - number of orbitals:  110
-2024-12-04 03:54:59,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 03:54:59,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 03:54:59,290 - INFO - moving on ...
-2024-12-04 03:54:59,290 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 03:54:59,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 03:54:59,291 - INFO - attempting to process the Hamiltonian...
-2024-12-04 03:54:59,291 - INFO - number of supporting files: 2
-2024-12-04 03:54:59,291 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-04 03:54:59,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-04 03:54:59,291 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-04 03:54:59,299 - INFO - number of entries in Hamiltonian_features.csv:  139
-2024-12-04 03:54:59,299 - INFO - did NOT find instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 in database.
-2024-12-04 03:54:59,299 - INFO - Processing instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 ...
-2024-12-04 03:54:59,299 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz...
-2024-12-04 03:54:59,342 - INFO - Connected (version 2.0, client 0)
-2024-12-04 03:54:59,833 - INFO - Authentication (publickey) successful!
-2024-12-04 03:54:59,847 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 03:55:00,884 - INFO - [chan 0] sftp session closed.
-2024-12-04 03:55:00,884 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 03:55:00,884 - INFO - decompressing file fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz...
-2024-12-04 03:55:01,238 - INFO - this script has been running for 17.88 hours.
-2024-12-04 03:55:01,238 - INFO - ===============================================
-2024-12-04 03:55:01,238 - INFO - calculating Hamiltonian features...
-2024-12-04 03:55:01,238 - INFO - reading data from fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4
-2024-12-04 03:55:04,328 - INFO - finished reading FCIDUMP data.
-2024-12-04 03:55:04,328 - INFO - data['NORB']: 60
-2024-12-04 03:55:04,328 - INFO - len(data['H1']): 60
-2024-12-04 03:55:04,328 - INFO - ao2mo.restore...
-2024-12-04 03:55:04,365 - INFO - done.
-2024-12-04 03:55:04,365 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 03:55:04,365 - INFO - done.
-2024-12-04 03:55:04,365 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 04:16:30,605 - INFO - done.
-2024-12-04 04:16:30,605 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 04:18:24,860 - INFO - done.
-2024-12-04 04:18:24,860 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 04:18:38,124 - INFO - done.
-2024-12-04 04:18:38,124 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 04:18:41,051 - INFO - done.
-2024-12-04 04:18:41,052 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 04:18:41,052 - INFO - done.
-2024-12-04 04:18:41,052 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 04:18:41,052 - INFO - done.
-2024-12-04 04:18:42,090 - INFO - Hamiltonian features calculation run time (seconds): 1420.852172
-2024-12-04 04:18:42,091 - INFO - wrote df_eigs to file: df_eigs.2b749f51-9ea9-41c4-9f67-e9c8334478c4.bin
-2024-12-04 04:18:42,091 - INFO - deleting file fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-04 04:18:42,098 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 04:18:42,105 - INFO - this script has been running for 18.28 hours.
-2024-12-04 04:18:42,105 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-04 04:18:42,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-04 04:18:42,105 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:18:42,105 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 04:18:42,105 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 04:18:42,105 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 04:18:42,105 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 04:18:42,105 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 04:18:42,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,107 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:18:42,107 - INFO - number of supporting files: 1
-2024-12-04 04:18:42,107 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 04:18:42,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 04:18:42,107 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 04:18:42,115 - INFO - number of entries in Hamiltonian_features.csv:  140
-2024-12-04 04:18:42,116 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 04:18:42,116 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 04:18:42,116 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 04:18:42,116 - INFO - problem_instance short name: Cu_1
-2024-12-04 04:18:42,116 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 04:18:42,116 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 04:18:42,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,117 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:18:42,117 - INFO - number of supporting files: 2
-2024-12-04 04:18:42,117 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-04 04:18:42,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-04 04:18:42,117 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-04 04:18:42,125 - INFO - number of entries in Hamiltonian_features.csv:  140
-2024-12-04 04:18:42,126 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-04 04:18:42,126 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-04 04:18:42,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-04 04:18:42,126 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:18:42,126 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 04:18:42,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,127 - INFO - number of orbitals:  88
-2024-12-04 04:18:42,127 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:18:42,127 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:18:42,127 - INFO - moving on ...
-2024-12-04 04:18:42,127 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 04:18:42,128 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 04:18:42,128 - INFO - problem_instance short name: p_h3_0
-2024-12-04 04:18:42,128 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 04:18:42,128 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 04:18:42,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,129 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:18:42,129 - INFO - number of supporting files: 2
-2024-12-04 04:18:42,129 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 04:18:42,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 04:18:42,129 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 04:18:42,137 - INFO - number of entries in Hamiltonian_features.csv:  140
-2024-12-04 04:18:42,138 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 04:18:42,138 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 04:18:42,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 04:18:42,138 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:18:42,138 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 04:18:42,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,139 - INFO - number of orbitals:  76
-2024-12-04 04:18:42,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:18:42,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:18:42,139 - INFO - moving on ...
-2024-12-04 04:18:42,139 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 04:18:42,139 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 04:18:42,140 - INFO - problem_instance short name: FeO_0
-2024-12-04 04:18:42,140 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 04:18:42,140 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 04:18:42,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,141 - INFO - number of orbitals:  76
-2024-12-04 04:18:42,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:18:42,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:18:42,141 - INFO - moving on ...
-2024-12-04 04:18:42,141 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 04:18:42,141 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 04:18:42,141 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 04:18:42,141 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 04:18:42,141 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 04:18:42,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,142 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:18:42,142 - INFO - number of supporting files: 2
-2024-12-04 04:18:42,142 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-04 04:18:42,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-04 04:18:42,143 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-04 04:18:42,152 - INFO - number of entries in Hamiltonian_features.csv:  140
-2024-12-04 04:18:42,152 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-04 04:18:42,152 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-04 04:18:42,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-04 04:18:42,152 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:18:42,152 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 04:18:42,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,153 - INFO - number of orbitals:  106
-2024-12-04 04:18:42,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:18:42,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:18:42,153 - INFO - moving on ...
-2024-12-04 04:18:42,153 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 04:18:42,154 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 04:18:42,154 - INFO - problem_instance short name: Ti_0
-2024-12-04 04:18:42,154 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 04:18:42,154 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 04:18:42,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,155 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:18:42,155 - INFO - number of supporting files: 2
-2024-12-04 04:18:42,155 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-04 04:18:42,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-04 04:18:42,155 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-04 04:18:42,163 - INFO - number of entries in Hamiltonian_features.csv:  140
-2024-12-04 04:18:42,164 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-04 04:18:42,164 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-04 04:18:42,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-04 04:18:42,164 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:18:42,164 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 04:18:42,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,165 - INFO - number of orbitals:  88
-2024-12-04 04:18:42,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:18:42,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:18:42,165 - INFO - moving on ...
-2024-12-04 04:18:42,165 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 04:18:42,166 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 04:18:42,166 - INFO - problem_instance short name: V_1
-2024-12-04 04:18:42,166 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 04:18:42,166 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 04:18:42,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,167 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:18:42,167 - INFO - number of supporting files: 2
-2024-12-04 04:18:42,167 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-04 04:18:42,167 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-04 04:18:42,167 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-04 04:18:42,176 - INFO - number of entries in Hamiltonian_features.csv:  140
-2024-12-04 04:18:42,176 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-04 04:18:42,176 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-04 04:18:42,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-04 04:18:42,176 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:18:42,176 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 04:18:42,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,177 - INFO - number of orbitals:  88
-2024-12-04 04:18:42,177 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:18:42,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:18:42,177 - INFO - moving on ...
-2024-12-04 04:18:42,177 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 04:18:42,178 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 04:18:42,178 - INFO - problem_instance short name: n2_0
-2024-12-04 04:18:42,178 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 04:18:42,178 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 04:18:42,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,179 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:18:42,179 - INFO - number of supporting files: 2
-2024-12-04 04:18:42,179 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 04:18:42,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 04:18:42,179 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 04:18:42,188 - INFO - number of entries in Hamiltonian_features.csv:  140
-2024-12-04 04:18:42,188 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 04:18:42,188 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 04:18:42,188 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 04:18:42,188 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:18:42,188 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 04:18:42,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,189 - INFO - number of orbitals:  110
-2024-12-04 04:18:42,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:18:42,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:18:42,190 - INFO - moving on ...
-2024-12-04 04:18:42,190 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 04:18:42,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:18:42,191 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:18:42,191 - INFO - number of supporting files: 2
-2024-12-04 04:18:42,191 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-04 04:18:42,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-04 04:18:42,191 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-04 04:18:42,200 - INFO - number of entries in Hamiltonian_features.csv:  140
-2024-12-04 04:18:42,200 - INFO - did NOT find instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 in database.
-2024-12-04 04:18:42,200 - INFO - Processing instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 ...
-2024-12-04 04:18:42,201 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz...
-2024-12-04 04:18:42,244 - INFO - Connected (version 2.0, client 0)
-2024-12-04 04:18:42,758 - INFO - Authentication (publickey) successful!
-2024-12-04 04:18:42,778 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 04:18:43,869 - INFO - [chan 0] sftp session closed.
-2024-12-04 04:18:43,869 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 04:18:43,869 - INFO - decompressing file fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz...
-2024-12-04 04:18:44,229 - INFO - this script has been running for 18.28 hours.
-2024-12-04 04:18:44,229 - INFO - ===============================================
-2024-12-04 04:18:44,229 - INFO - calculating Hamiltonian features...
-2024-12-04 04:18:44,229 - INFO - reading data from fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887
-2024-12-04 04:18:47,465 - INFO - finished reading FCIDUMP data.
-2024-12-04 04:18:47,465 - INFO - data['NORB']: 60
-2024-12-04 04:18:47,466 - INFO - len(data['H1']): 60
-2024-12-04 04:18:47,466 - INFO - ao2mo.restore...
-2024-12-04 04:18:47,505 - INFO - done.
-2024-12-04 04:18:47,505 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 04:18:47,505 - INFO - done.
-2024-12-04 04:18:47,505 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 04:38:16,160 - INFO - done.
-2024-12-04 04:38:16,160 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 04:39:12,042 - INFO - done.
-2024-12-04 04:39:12,042 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 04:39:18,071 - INFO - done.
-2024-12-04 04:39:18,071 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 04:39:21,047 - INFO - done.
-2024-12-04 04:39:21,047 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 04:39:21,047 - INFO - done.
-2024-12-04 04:39:21,047 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 04:39:21,047 - INFO - done.
-2024-12-04 04:39:21,640 - INFO - Hamiltonian features calculation run time (seconds): 1237.411552
-2024-12-04 04:39:21,641 - INFO - wrote df_eigs to file: df_eigs.48512c28-04a3-4e3b-b6b2-3e4b654c1887.bin
-2024-12-04 04:39:21,641 - INFO - deleting file fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-04 04:39:21,649 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 04:39:21,655 - INFO - this script has been running for 18.62 hours.
-2024-12-04 04:39:21,655 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-04 04:39:21,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-04 04:39:21,655 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:39:21,655 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 04:39:21,655 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 04:39:21,655 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 04:39:21,655 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,655 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 04:39:21,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,657 - INFO - number of orbitals:  70
-2024-12-04 04:39:21,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,657 - INFO - moving on ...
-2024-12-04 04:39:21,657 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 04:39:21,657 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 04:39:21,657 - INFO - problem_instance short name: Cr_0
-2024-12-04 04:39:21,657 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,657 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 04:39:21,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,659 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,659 - INFO - number of supporting files: 2
-2024-12-04 04:39:21,659 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-04 04:39:21,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-04 04:39:21,659 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-04 04:39:21,667 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,667 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-04 04:39:21,667 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-04 04:39:21,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-04 04:39:21,667 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:39:21,668 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 04:39:21,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,669 - INFO - number of orbitals:  88
-2024-12-04 04:39:21,669 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,669 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,669 - INFO - moving on ...
-2024-12-04 04:39:21,669 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 04:39:21,669 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 04:39:21,669 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 04:39:21,669 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,669 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 04:39:21,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,670 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,670 - INFO - number of supporting files: 1
-2024-12-04 04:39:21,670 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 04:39:21,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 04:39:21,670 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 04:39:21,679 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,679 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 04:39:21,679 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 04:39:21,679 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 04:39:21,679 - INFO - problem_instance short name: Sc_1
-2024-12-04 04:39:21,679 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,679 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 04:39:21,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,681 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,681 - INFO - number of supporting files: 2
-2024-12-04 04:39:21,681 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-04 04:39:21,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-04 04:39:21,681 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-04 04:39:21,690 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,691 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-04 04:39:21,691 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-04 04:39:21,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-04 04:39:21,691 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:39:21,691 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 04:39:21,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,693 - INFO - number of orbitals:  135
-2024-12-04 04:39:21,693 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,693 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,693 - INFO - moving on ...
-2024-12-04 04:39:21,693 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 04:39:21,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,694 - INFO - number of orbitals:  88
-2024-12-04 04:39:21,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,694 - INFO - moving on ...
-2024-12-04 04:39:21,694 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 04:39:21,695 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 04:39:21,695 - INFO - problem_instance short name: p2_0
-2024-12-04 04:39:21,695 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,695 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 04:39:21,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,696 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,696 - INFO - number of supporting files: 2
-2024-12-04 04:39:21,696 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-04 04:39:21,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-04 04:39:21,696 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-04 04:39:21,705 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,705 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-04 04:39:21,706 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-04 04:39:21,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-04 04:39:21,706 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:39:21,706 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 04:39:21,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,707 - INFO - number of orbitals:  118
-2024-12-04 04:39:21,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,707 - INFO - moving on ...
-2024-12-04 04:39:21,707 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 04:39:21,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,709 - INFO - number of orbitals:  68
-2024-12-04 04:39:21,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,709 - INFO - moving on ...
-2024-12-04 04:39:21,709 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 04:39:21,709 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 04:39:21,709 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 04:39:21,709 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,709 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 04:39:21,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,711 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,711 - INFO - number of supporting files: 2
-2024-12-04 04:39:21,711 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-04 04:39:21,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-04 04:39:21,711 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-04 04:39:21,720 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,720 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-04 04:39:21,720 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-04 04:39:21,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-04 04:39:21,720 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:39:21,720 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 04:39:21,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,721 - INFO - number of orbitals:  88
-2024-12-04 04:39:21,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,721 - INFO - moving on ...
-2024-12-04 04:39:21,721 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 04:39:21,722 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 04:39:21,722 - INFO - problem_instance short name: li_h_0
-2024-12-04 04:39:21,722 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,722 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 04:39:21,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,723 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,723 - INFO - number of supporting files: 2
-2024-12-04 04:39:21,723 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 04:39:21,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 04:39:21,723 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 04:39:21,733 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,733 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 04:39:21,733 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 04:39:21,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 04:39:21,733 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:39:21,733 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 04:39:21,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,734 - INFO - number of orbitals:  85
-2024-12-04 04:39:21,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,735 - INFO - moving on ...
-2024-12-04 04:39:21,735 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 04:39:21,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,736 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,736 - INFO - number of supporting files: 2
-2024-12-04 04:39:21,736 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-04 04:39:21,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-04 04:39:21,736 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-04 04:39:21,744 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,745 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-04 04:39:21,745 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-04 04:39:21,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-04 04:39:21,745 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:39:21,745 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 04:39:21,745 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 04:39:21,745 - INFO - problem_instance short name: V_0
-2024-12-04 04:39:21,745 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,745 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 04:39:21,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,746 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,746 - INFO - number of supporting files: 2
-2024-12-04 04:39:21,746 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-04 04:39:21,746 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-04 04:39:21,746 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-04 04:39:21,755 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,755 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-04 04:39:21,755 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-04 04:39:21,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-04 04:39:21,756 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:39:21,756 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 04:39:21,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,757 - INFO - number of orbitals:  88
-2024-12-04 04:39:21,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,757 - INFO - moving on ...
-2024-12-04 04:39:21,757 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 04:39:21,757 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 04:39:21,757 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 04:39:21,757 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,757 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 04:39:21,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,759 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,759 - INFO - number of supporting files: 2
-2024-12-04 04:39:21,759 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-04 04:39:21,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-04 04:39:21,759 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-04 04:39:21,767 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,768 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-04 04:39:21,768 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-04 04:39:21,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-04 04:39:21,768 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 04:39:21,768 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 04:39:21,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,769 - INFO - number of orbitals:  116
-2024-12-04 04:39:21,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 04:39:21,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 04:39:21,769 - INFO - moving on ...
-2024-12-04 04:39:21,770 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 04:39:21,770 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 04:39:21,770 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 04:39:21,770 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 04:39:21,770 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 04:39:21,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 04:39:21,771 - INFO - attempting to process the Hamiltonian...
-2024-12-04 04:39:21,771 - INFO - number of supporting files: 2
-2024-12-04 04:39:21,771 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-04 04:39:21,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-04 04:39:21,771 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-04 04:39:21,780 - INFO - number of entries in Hamiltonian_features.csv:  141
-2024-12-04 04:39:21,780 - INFO - did NOT find instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 in database.
-2024-12-04 04:39:21,780 - INFO - Processing instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 ...
-2024-12-04 04:39:21,780 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz...
-2024-12-04 04:39:21,824 - INFO - Connected (version 2.0, client 0)
-2024-12-04 04:39:22,362 - INFO - Authentication (publickey) successful!
-2024-12-04 04:39:22,379 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 04:39:25,123 - INFO - [chan 0] sftp session closed.
-2024-12-04 04:39:25,123 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 04:39:25,123 - INFO - decompressing file fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz...
-2024-12-04 04:39:25,703 - INFO - this script has been running for 18.62 hours.
-2024-12-04 04:39:25,703 - INFO - ===============================================
-2024-12-04 04:39:25,703 - INFO - calculating Hamiltonian features...
-2024-12-04 04:39:25,703 - INFO - reading data from fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925
-2024-12-04 04:39:30,375 - INFO - finished reading FCIDUMP data.
-2024-12-04 04:39:30,375 - INFO - data['NORB']: 58
-2024-12-04 04:39:30,375 - INFO - len(data['H1']): 58
-2024-12-04 04:39:30,375 - INFO - ao2mo.restore...
-2024-12-04 04:39:30,407 - INFO - done.
-2024-12-04 04:39:30,407 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 04:39:30,407 - INFO - done.
-2024-12-04 04:39:30,407 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 05:09:19,533 - INFO - done.
-2024-12-04 05:09:19,533 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 05:10:48,258 - INFO - done.
-2024-12-04 05:10:48,258 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 05:10:58,148 - INFO - done.
-2024-12-04 05:10:58,148 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 05:11:00,435 - INFO - done.
-2024-12-04 05:11:00,436 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 05:11:00,436 - INFO - done.
-2024-12-04 05:11:00,436 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 05:11:00,436 - INFO - done.
-2024-12-04 05:11:01,350 - INFO - Hamiltonian features calculation run time (seconds): 1895.646618
-2024-12-04 05:11:01,350 - INFO - wrote df_eigs to file: df_eigs.da21513f-c490-45e2-8ce9-1c7a511ca925.bin
-2024-12-04 05:11:01,350 - INFO - deleting file fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-04 05:11:01,362 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 05:11:01,368 - INFO - this script has been running for 19.15 hours.
-2024-12-04 05:11:01,368 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-04 05:11:01,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-04 05:11:01,368 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:11:01,368 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 05:11:01,369 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 05:11:01,369 - INFO - problem_instance short name: si_h4_0
-2024-12-04 05:11:01,369 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 05:11:01,369 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 05:11:01,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:11:01,370 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:11:01,370 - INFO - number of supporting files: 2
-2024-12-04 05:11:01,370 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-04 05:11:01,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-04 05:11:01,370 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-04 05:11:01,379 - INFO - number of entries in Hamiltonian_features.csv:  142
-2024-12-04 05:11:01,379 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-04 05:11:01,380 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-04 05:11:01,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-04 05:11:01,380 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:11:01,380 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 05:11:01,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:11:01,381 - INFO - number of orbitals:  90
-2024-12-04 05:11:01,381 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:11:01,381 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:11:01,381 - INFO - moving on ...
-2024-12-04 05:11:01,381 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 05:11:01,381 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 05:11:01,381 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 05:11:01,381 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:11:01,381 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 05:11:01,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:11:01,383 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:11:01,383 - INFO - number of supporting files: 1
-2024-12-04 05:11:01,383 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 05:11:01,383 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 05:11:01,383 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 05:11:01,391 - INFO - number of entries in Hamiltonian_features.csv:  142
-2024-12-04 05:11:01,391 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 05:11:01,391 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 05:11:01,391 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 05:11:01,391 - INFO - problem_instance short name: TiO_0
-2024-12-04 05:11:01,392 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:11:01,392 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 05:11:01,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:11:01,393 - INFO - number of orbitals:  76
-2024-12-04 05:11:01,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:11:01,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:11:01,393 - INFO - moving on ...
-2024-12-04 05:11:01,393 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 05:11:01,393 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 05:11:01,393 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 05:11:01,393 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 05:11:01,393 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 05:11:01,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:11:01,394 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:11:01,395 - INFO - number of supporting files: 2
-2024-12-04 05:11:01,395 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-04 05:11:01,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-04 05:11:01,395 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-04 05:11:01,403 - INFO - number of entries in Hamiltonian_features.csv:  142
-2024-12-04 05:11:01,403 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-04 05:11:01,403 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-04 05:11:01,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-04 05:11:01,403 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:11:01,403 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 05:11:01,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:11:01,405 - INFO - number of orbitals:  78
-2024-12-04 05:11:01,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:11:01,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:11:01,405 - INFO - moving on ...
-2024-12-04 05:11:01,405 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 05:11:01,405 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 05:11:01,405 - INFO - problem_instance short name: li2_0
-2024-12-04 05:11:01,405 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 05:11:01,405 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 05:11:01,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:11:01,406 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:11:01,406 - INFO - number of supporting files: 2
-2024-12-04 05:11:01,406 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 05:11:01,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 05:11:01,407 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 05:11:01,415 - INFO - number of entries in Hamiltonian_features.csv:  142
-2024-12-04 05:11:01,415 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 05:11:01,415 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 05:11:01,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 05:11:01,416 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:11:01,416 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 05:11:01,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:11:01,417 - INFO - number of orbitals:  110
-2024-12-04 05:11:01,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:11:01,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:11:01,417 - INFO - moving on ...
-2024-12-04 05:11:01,417 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 05:11:01,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:11:01,418 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:11:01,418 - INFO - number of supporting files: 2
-2024-12-04 05:11:01,418 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-04 05:11:01,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-04 05:11:01,418 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-04 05:11:01,426 - INFO - number of entries in Hamiltonian_features.csv:  142
-2024-12-04 05:11:01,427 - INFO - did NOT find instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 in database.
-2024-12-04 05:11:01,427 - INFO - Processing instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 ...
-2024-12-04 05:11:01,427 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz...
-2024-12-04 05:11:01,473 - INFO - Connected (version 2.0, client 0)
-2024-12-04 05:11:01,988 - INFO - Authentication (publickey) successful!
-2024-12-04 05:11:02,004 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 05:11:02,418 - INFO - [chan 0] sftp session closed.
-2024-12-04 05:11:02,419 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 05:11:02,419 - INFO - decompressing file fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz...
-2024-12-04 05:11:02,630 - INFO - this script has been running for 19.15 hours.
-2024-12-04 05:11:02,630 - INFO - ===============================================
-2024-12-04 05:11:02,630 - INFO - calculating Hamiltonian features...
-2024-12-04 05:11:02,630 - INFO - reading data from fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2
-2024-12-04 05:11:04,420 - INFO - finished reading FCIDUMP data.
-2024-12-04 05:11:04,420 - INFO - data['NORB']: 60
-2024-12-04 05:11:04,420 - INFO - len(data['H1']): 60
-2024-12-04 05:11:04,420 - INFO - ao2mo.restore...
-2024-12-04 05:11:04,456 - INFO - done.
-2024-12-04 05:11:04,456 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 05:11:04,456 - INFO - done.
-2024-12-04 05:11:04,456 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 05:22:47,026 - INFO - done.
-2024-12-04 05:22:47,026 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 05:23:42,014 - INFO - done.
-2024-12-04 05:23:42,014 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 05:23:48,034 - INFO - done.
-2024-12-04 05:23:48,034 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 05:23:50,927 - INFO - done.
-2024-12-04 05:23:50,928 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 05:23:50,928 - INFO - done.
-2024-12-04 05:23:50,928 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 05:23:50,928 - INFO - done.
-2024-12-04 05:23:51,473 - INFO - Hamiltonian features calculation run time (seconds): 768.84252
-2024-12-04 05:23:51,473 - INFO - wrote df_eigs to file: df_eigs.26d2547c-96a4-400d-9528-9987ae6699b2.bin
-2024-12-04 05:23:51,473 - INFO - deleting file fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-04 05:23:51,477 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 05:23:51,483 - INFO - this script has been running for 19.36 hours.
-2024-12-04 05:23:51,483 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-04 05:23:51,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-04 05:23:51,483 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,483 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 05:23:51,483 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 05:23:51,483 - INFO - problem_instance short name: ru_macho
-2024-12-04 05:23:51,483 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,483 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 05:23:51,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,484 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,485 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,485 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,486 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 05:23:51,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 05:23:51,486 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 05:23:51,494 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,494 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,494 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 05:23:51,494 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,494 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,494 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,496 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,496 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,496 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 05:23:51,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 05:23:51,496 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 05:23:51,504 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,504 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,505 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 05:23:51,505 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,505 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,506 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,507 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,507 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 05:23:51,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 05:23:51,507 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 05:23:51,515 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,515 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,515 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 05:23:51,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,517 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,517 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,517 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 05:23:51,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 05:23:51,517 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 05:23:51,525 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,525 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,525 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 05:23:51,526 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,526 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,526 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,527 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,527 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,527 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 05:23:51,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 05:23:51,528 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 05:23:51,535 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,536 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,536 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 05:23:51,536 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,536 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,536 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,538 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,538 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,538 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 05:23:51,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 05:23:51,538 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 05:23:51,546 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,546 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,546 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 05:23:51,546 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,546 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,546 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,548 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,548 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,548 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-04 05:23:51,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-04 05:23:51,548 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-04 05:23:51,556 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,557 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,557 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 05:23:51,557 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,559 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,559 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,559 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 05:23:51,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 05:23:51,559 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 05:23:51,567 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,567 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,567 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 05:23:51,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,569 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,569 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,569 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-04 05:23:51,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-04 05:23:51,569 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-04 05:23:51,577 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,578 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,578 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 05:23:51,578 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 05:23:51,578 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 05:23:51,578 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,578 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 05:23:51,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,579 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,579 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,579 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 05:23:51,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 05:23:51,579 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 05:23:51,588 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,588 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,588 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 05:23:51,588 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 05:23:51,588 - INFO - problem_instance short name: CrO_0
-2024-12-04 05:23:51,588 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,588 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 05:23:51,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,589 - INFO - number of orbitals:  76
-2024-12-04 05:23:51,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,589 - INFO - moving on ...
-2024-12-04 05:23:51,590 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 05:23:51,590 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 05:23:51,590 - INFO - problem_instance short name: blue_dimer
-2024-12-04 05:23:51,590 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,590 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 05:23:51,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,592 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,592 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,592 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 05:23:51,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 05:23:51,592 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 05:23:51,600 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,600 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,600 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 05:23:51,600 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,601 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,601 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,602 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,602 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,602 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 05:23:51,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 05:23:51,602 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 05:23:51,610 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,611 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,611 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 05:23:51,611 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,611 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,611 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,613 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,613 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,613 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 05:23:51,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 05:23:51,613 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 05:23:51,621 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,622 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,622 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 05:23:51,622 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,624 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,624 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,624 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-04 05:23:51,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-04 05:23:51,624 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-04 05:23:51,632 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,632 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,632 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 05:23:51,632 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,634 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,634 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,634 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 05:23:51,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 05:23:51,634 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 05:23:51,643 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,643 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,643 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 05:23:51,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,645 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,645 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,645 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 05:23:51,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 05:23:51,645 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 05:23:51,653 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,654 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,654 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 05:23:51,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,656 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,656 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,656 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 05:23:51,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 05:23:51,656 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 05:23:51,664 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,664 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,664 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 05:23:51,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,666 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,666 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,666 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-04 05:23:51,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-04 05:23:51,666 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-04 05:23:51,673 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,674 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,674 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 05:23:51,674 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,674 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,674 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,675 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,675 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,675 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 05:23:51,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 05:23:51,675 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 05:23:51,683 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,684 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,684 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 05:23:51,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,685 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,686 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,686 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 05:23:51,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 05:23:51,686 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 05:23:51,694 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,694 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,694 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 05:23:51,695 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,695 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,695 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,696 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,697 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,697 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 05:23:51,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 05:23:51,697 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 05:23:51,704 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,705 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,705 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 05:23:51,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,707 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,707 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,707 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-04 05:23:51,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-04 05:23:51,707 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-04 05:23:51,715 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,715 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,715 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 05:23:51,716 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 05:23:51,716 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 05:23:51,716 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,716 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 05:23:51,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,717 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,717 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,717 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 05:23:51,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 05:23:51,717 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 05:23:51,725 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,726 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,726 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 05:23:51,726 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 05:23:51,726 - INFO - problem_instance short name: mo_n2
-2024-12-04 05:23:51,726 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,726 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 05:23:51,726 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,726 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,728 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,728 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,728 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 05:23:51,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 05:23:51,729 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 05:23:51,736 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,736 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,736 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 05:23:51,736 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,737 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,737 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,738 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,738 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,738 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-04 05:23:51,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-04 05:23:51,738 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-04 05:23:51,747 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,747 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,747 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 05:23:51,747 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,747 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,747 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,749 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,749 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,749 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-04 05:23:51,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-04 05:23:51,749 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-04 05:23:51,757 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,757 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,757 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 05:23:51,757 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,758 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,758 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,759 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,759 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,759 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 05:23:51,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 05:23:51,759 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 05:23:51,767 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,768 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,768 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 05:23:51,768 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 05:23:51,768 - INFO - problem_instance short name: na2_0
-2024-12-04 05:23:51,768 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,768 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 05:23:51,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,769 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,769 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,769 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-04 05:23:51,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-04 05:23:51,769 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-04 05:23:51,777 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,778 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,778 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-04 05:23:51,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-04 05:23:51,778 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,778 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 05:23:51,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,779 - INFO - number of orbitals:  118
-2024-12-04 05:23:51,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,779 - INFO - moving on ...
-2024-12-04 05:23:51,779 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 05:23:51,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,780 - INFO - number of orbitals:  68
-2024-12-04 05:23:51,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,780 - INFO - moving on ...
-2024-12-04 05:23:51,781 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 05:23:51,781 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 05:23:51,781 - INFO - problem_instance short name: Ti_1
-2024-12-04 05:23:51,781 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,781 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 05:23:51,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,782 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,782 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,782 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-04 05:23:51,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-04 05:23:51,782 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-04 05:23:51,790 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,790 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,790 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-04 05:23:51,790 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-04 05:23:51,791 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,791 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 05:23:51,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,792 - INFO - number of orbitals:  88
-2024-12-04 05:23:51,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,792 - INFO - moving on ...
-2024-12-04 05:23:51,792 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 05:23:51,792 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 05:23:51,792 - INFO - problem_instance short name: mn_mono
-2024-12-04 05:23:51,792 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,792 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 05:23:51,792 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,792 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,792 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,794 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,794 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,794 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 05:23:51,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 05:23:51,794 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 05:23:51,802 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,803 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,803 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 05:23:51,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,804 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,805 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,805 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 05:23:51,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 05:23:51,805 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 05:23:51,813 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,813 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,813 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 05:23:51,813 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,813 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,813 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,815 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,815 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,815 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 05:23:51,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 05:23:51,815 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 05:23:51,823 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,823 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,823 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 05:23:51,823 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,823 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,823 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,825 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,825 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,825 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 05:23:51,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 05:23:51,825 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 05:23:51,834 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,834 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,834 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 05:23:51,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,836 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,836 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,836 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 05:23:51,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 05:23:51,836 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 05:23:51,843 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,844 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,844 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 05:23:51,844 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,844 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,844 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,845 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,846 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,846 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 05:23:51,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 05:23:51,846 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 05:23:51,853 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,853 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,854 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 05:23:51,854 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,854 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,854 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,855 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,855 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,855 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 05:23:51,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 05:23:51,856 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 05:23:51,863 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,864 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,864 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 05:23:51,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:23:51,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:23:51,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:23:51,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,865 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,865 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,865 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 05:23:51,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 05:23:51,866 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 05:23:51,874 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,874 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,874 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 05:23:51,874 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 05:23:51,874 - INFO - problem_instance short name: h_cl_0
-2024-12-04 05:23:51,874 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,874 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 05:23:51,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,876 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,876 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,876 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 05:23:51,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 05:23:51,876 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 05:23:51,884 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,884 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,884 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 05:23:51,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 05:23:51,884 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,884 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 05:23:51,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,885 - INFO - number of orbitals:  89
-2024-12-04 05:23:51,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,885 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,885 - INFO - moving on ...
-2024-12-04 05:23:51,885 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 05:23:51,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,887 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,887 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,887 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-04 05:23:51,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-04 05:23:51,887 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-04 05:23:51,895 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,895 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,895 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-04 05:23:51,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-04 05:23:51,895 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,895 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 05:23:51,895 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 05:23:51,896 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 05:23:51,896 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,896 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 05:23:51,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,897 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,897 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,897 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 05:23:51,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 05:23:51,897 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 05:23:51,905 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,906 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,906 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 05:23:51,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 05:23:51,906 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,906 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 05:23:51,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,907 - INFO - number of orbitals:  119
-2024-12-04 05:23:51,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,907 - INFO - moving on ...
-2024-12-04 05:23:51,907 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 05:23:51,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,908 - INFO - number of orbitals:  62
-2024-12-04 05:23:51,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,908 - INFO - moving on ...
-2024-12-04 05:23:51,908 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 05:23:51,909 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 05:23:51,909 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 05:23:51,909 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,909 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 05:23:51,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,910 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,910 - INFO - number of supporting files: 1
-2024-12-04 05:23:51,910 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 05:23:51,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 05:23:51,910 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 05:23:51,918 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,919 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,919 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 05:23:51,919 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 05:23:51,919 - INFO - problem_instance short name: Mn_1
-2024-12-04 05:23:51,919 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,919 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 05:23:51,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,920 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,920 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,920 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-04 05:23:51,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-04 05:23:51,920 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-04 05:23:51,928 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,928 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,928 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-04 05:23:51,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-04 05:23:51,929 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,929 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 05:23:51,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,930 - INFO - number of orbitals:  88
-2024-12-04 05:23:51,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,930 - INFO - moving on ...
-2024-12-04 05:23:51,930 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 05:23:51,930 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 05:23:51,930 - INFO - problem_instance short name: Mn_0
-2024-12-04 05:23:51,931 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,931 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 05:23:51,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,932 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,932 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,932 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-04 05:23:51,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-04 05:23:51,932 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-04 05:23:51,940 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,940 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,940 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-04 05:23:51,940 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-04 05:23:51,940 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,940 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 05:23:51,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,942 - INFO - number of orbitals:  88
-2024-12-04 05:23:51,942 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,942 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,942 - INFO - moving on ...
-2024-12-04 05:23:51,942 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 05:23:51,942 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 05:23:51,942 - INFO - problem_instance short name: na_cl_0
-2024-12-04 05:23:51,942 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,942 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 05:23:51,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,943 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,943 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,943 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 05:23:51,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 05:23:51,943 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 05:23:51,951 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,951 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,951 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 05:23:51,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 05:23:51,951 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,951 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 05:23:51,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,952 - INFO - number of orbitals:  118
-2024-12-04 05:23:51,952 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,952 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,952 - INFO - moving on ...
-2024-12-04 05:23:51,952 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 05:23:51,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,953 - INFO - number of orbitals:  68
-2024-12-04 05:23:51,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,953 - INFO - moving on ...
-2024-12-04 05:23:51,953 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 05:23:51,954 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 05:23:51,954 - INFO - problem_instance short name: c_s_0
-2024-12-04 05:23:51,954 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,954 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 05:23:51,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,955 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,955 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,955 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 05:23:51,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 05:23:51,955 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 05:23:51,962 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,963 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,963 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 05:23:51,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 05:23:51,963 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,963 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 05:23:51,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,964 - INFO - number of orbitals:  64
-2024-12-04 05:23:51,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,964 - INFO - moving on ...
-2024-12-04 05:23:51,964 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 05:23:51,964 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 05:23:51,964 - INFO - problem_instance short name: CuO_0
-2024-12-04 05:23:51,964 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,964 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 05:23:51,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,966 - INFO - number of orbitals:  76
-2024-12-04 05:23:51,966 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,966 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,966 - INFO - moving on ...
-2024-12-04 05:23:51,966 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 05:23:51,966 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 05:23:51,966 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 05:23:51,966 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,966 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 05:23:51,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,967 - INFO - number of orbitals:  69
-2024-12-04 05:23:51,967 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,967 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,967 - INFO - moving on ...
-2024-12-04 05:23:51,967 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 05:23:51,967 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 05:23:51,967 - INFO - problem_instance short name: MnO_0
-2024-12-04 05:23:51,967 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,968 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 05:23:51,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,969 - INFO - number of orbitals:  76
-2024-12-04 05:23:51,969 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,969 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,969 - INFO - moving on ...
-2024-12-04 05:23:51,969 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 05:23:51,969 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 05:23:51,969 - INFO - problem_instance short name: Sc_0
-2024-12-04 05:23:51,969 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,969 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 05:23:51,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,970 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,970 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,970 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-04 05:23:51,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-04 05:23:51,970 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-04 05:23:51,978 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,978 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,978 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-04 05:23:51,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-04 05:23:51,978 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,978 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 05:23:51,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,980 - INFO - number of orbitals:  135
-2024-12-04 05:23:51,980 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,980 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,980 - INFO - moving on ...
-2024-12-04 05:23:51,980 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 05:23:51,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,981 - INFO - number of orbitals:  88
-2024-12-04 05:23:51,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,981 - INFO - moving on ...
-2024-12-04 05:23:51,981 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 05:23:51,981 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 05:23:51,981 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 05:23:51,981 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,981 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 05:23:51,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,982 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,982 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,982 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-04 05:23:51,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-04 05:23:51,982 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-04 05:23:51,990 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:51,990 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-04 05:23:51,990 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-04 05:23:51,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-04 05:23:51,990 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:51,990 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 05:23:51,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,992 - INFO - number of orbitals:  88
-2024-12-04 05:23:51,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:51,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:51,992 - INFO - moving on ...
-2024-12-04 05:23:51,992 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 05:23:51,992 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 05:23:51,992 - INFO - problem_instance short name: h2_o_0
-2024-12-04 05:23:51,992 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 05:23:51,992 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 05:23:51,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:51,993 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:51,993 - INFO - number of supporting files: 2
-2024-12-04 05:23:51,993 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 05:23:51,993 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 05:23:51,993 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 05:23:52,000 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:52,001 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 05:23:52,001 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 05:23:52,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 05:23:52,001 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:23:52,001 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 05:23:52,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:52,002 - INFO - number of orbitals:  115
-2024-12-04 05:23:52,002 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 05:23:52,002 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 05:23:52,002 - INFO - moving on ...
-2024-12-04 05:23:52,002 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 05:23:52,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:23:52,003 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:23:52,003 - INFO - number of supporting files: 2
-2024-12-04 05:23:52,003 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-04 05:23:52,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-04 05:23:52,003 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-04 05:23:52,011 - INFO - number of entries in Hamiltonian_features.csv:  143
-2024-12-04 05:23:52,011 - INFO - did NOT find instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 in database.
-2024-12-04 05:23:52,011 - INFO - Processing instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 ...
-2024-12-04 05:23:52,011 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz...
-2024-12-04 05:23:52,058 - INFO - Connected (version 2.0, client 0)
-2024-12-04 05:23:52,581 - INFO - Authentication (publickey) successful!
-2024-12-04 05:23:52,605 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 05:23:53,397 - INFO - [chan 0] sftp session closed.
-2024-12-04 05:23:53,398 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 05:23:53,398 - INFO - decompressing file fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz...
-2024-12-04 05:23:53,645 - INFO - this script has been running for 19.36 hours.
-2024-12-04 05:23:53,646 - INFO - ===============================================
-2024-12-04 05:23:53,646 - INFO - calculating Hamiltonian features...
-2024-12-04 05:23:53,646 - INFO - reading data from fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2
-2024-12-04 05:23:55,721 - INFO - finished reading FCIDUMP data.
-2024-12-04 05:23:55,721 - INFO - data['NORB']: 58
-2024-12-04 05:23:55,721 - INFO - len(data['H1']): 58
-2024-12-04 05:23:55,721 - INFO - ao2mo.restore...
-2024-12-04 05:23:55,753 - INFO - done.
-2024-12-04 05:23:55,753 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 05:23:55,753 - INFO - done.
-2024-12-04 05:23:55,753 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 05:37:52,043 - INFO - done.
-2024-12-04 05:37:52,043 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 05:38:50,361 - INFO - done.
-2024-12-04 05:38:50,362 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 05:38:57,231 - INFO - done.
-2024-12-04 05:38:57,232 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 05:38:59,500 - INFO - done.
-2024-12-04 05:38:59,500 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 05:38:59,500 - INFO - done.
-2024-12-04 05:38:59,500 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 05:38:59,500 - INFO - done.
-2024-12-04 05:39:00,094 - INFO - Hamiltonian features calculation run time (seconds): 906.448563
-2024-12-04 05:39:00,094 - INFO - wrote df_eigs to file: df_eigs.dd869557-00f9-421f-ab39-faa9d8e05df2.bin
-2024-12-04 05:39:00,095 - INFO - deleting file fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-04 05:39:00,099 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 05:39:00,105 - INFO - this script has been running for 19.62 hours.
-2024-12-04 05:39:00,105 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-04 05:39:00,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-04 05:39:00,105 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 05:39:00,105 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 05:39:00,106 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 05:39:00,106 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 05:39:00,106 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 05:39:00,106 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 05:39:00,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:39:00,107 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:39:00,107 - INFO - number of supporting files: 1
-2024-12-04 05:39:00,107 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 05:39:00,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 05:39:00,107 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 05:39:00,115 - INFO - number of entries in Hamiltonian_features.csv:  144
-2024-12-04 05:39:00,116 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 05:39:00,116 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 05:39:00,116 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 05:39:00,116 - INFO - problem_instance short name: fe_red
-2024-12-04 05:39:00,116 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 05:39:00,116 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 05:39:00,116 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:39:00,116 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:39:00,116 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:39:00,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:39:00,118 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:39:00,118 - INFO - number of supporting files: 1
-2024-12-04 05:39:00,118 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-04 05:39:00,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-04 05:39:00,118 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-04 05:39:00,126 - INFO - number of entries in Hamiltonian_features.csv:  144
-2024-12-04 05:39:00,127 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-04 05:39:00,127 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 05:39:00,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:39:00,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:39:00,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:39:00,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:39:00,129 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:39:00,129 - INFO - number of supporting files: 1
-2024-12-04 05:39:00,129 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-04 05:39:00,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-04 05:39:00,129 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-04 05:39:00,138 - INFO - number of entries in Hamiltonian_features.csv:  144
-2024-12-04 05:39:00,138 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-04 05:39:00,138 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 05:39:00,138 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 05:39:00,138 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 05:39:00,138 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 05:39:00,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 05:39:00,140 - INFO - attempting to process the Hamiltonian...
-2024-12-04 05:39:00,140 - INFO - number of supporting files: 1
-2024-12-04 05:39:00,140 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-04 05:39:00,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-04 05:39:00,140 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-04 05:39:00,148 - INFO - number of entries in Hamiltonian_features.csv:  144
-2024-12-04 05:39:00,148 - INFO - did NOT find instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 in database.
-2024-12-04 05:39:00,149 - INFO - Processing instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 ...
-2024-12-04 05:39:00,149 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz...
-2024-12-04 05:39:00,194 - INFO - Connected (version 2.0, client 0)
-2024-12-04 05:39:00,725 - INFO - Authentication (publickey) successful!
-2024-12-04 05:39:00,751 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 05:39:01,794 - INFO - [chan 0] sftp session closed.
-2024-12-04 05:39:01,795 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 05:39:01,795 - INFO - decompressing file fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz...
-2024-12-04 05:39:02,185 - INFO - this script has been running for 19.62 hours.
-2024-12-04 05:39:02,186 - INFO - ===============================================
-2024-12-04 05:39:02,186 - INFO - calculating Hamiltonian features...
-2024-12-04 05:39:02,186 - INFO - reading data from fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0
-2024-12-04 05:39:05,367 - INFO - finished reading FCIDUMP data.
-2024-12-04 05:39:05,367 - INFO - data['NORB']: 58
-2024-12-04 05:39:05,367 - INFO - len(data['H1']): 58
-2024-12-04 05:39:05,367 - INFO - ao2mo.restore...
-2024-12-04 05:39:05,397 - INFO - done.
-2024-12-04 05:39:05,397 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 05:39:05,397 - INFO - done.
-2024-12-04 05:39:05,397 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 06:23:55,594 - INFO - done.
-2024-12-04 06:23:55,594 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 06:27:58,606 - INFO - done.
-2024-12-04 06:27:58,606 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 06:28:25,875 - INFO - done.
-2024-12-04 06:28:25,875 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 06:28:28,252 - INFO - done.
-2024-12-04 06:28:28,252 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 06:28:28,253 - INFO - done.
-2024-12-04 06:28:28,253 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 06:28:28,253 - INFO - done.
-2024-12-04 06:28:30,314 - INFO - Hamiltonian features calculation run time (seconds): 2968.127988
-2024-12-04 06:28:30,314 - INFO - wrote df_eigs to file: df_eigs.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.bin
-2024-12-04 06:28:30,314 - INFO - deleting file fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-04 06:28:30,322 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 06:28:30,330 - INFO - this script has been running for 20.44 hours.
-2024-12-04 06:28:30,330 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 06:28:30,330 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:28:30,330 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:28:30,330 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:28:30,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:28:30,332 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:28:30,332 - INFO - number of supporting files: 1
-2024-12-04 06:28:30,333 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-04 06:28:30,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-04 06:28:30,333 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-04 06:28:30,341 - INFO - number of entries in Hamiltonian_features.csv:  145
-2024-12-04 06:28:30,342 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-04 06:28:30,342 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 06:28:30,342 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:28:30,342 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:28:30,342 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:28:30,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:28:30,344 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:28:30,344 - INFO - number of supporting files: 1
-2024-12-04 06:28:30,344 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-04 06:28:30,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-04 06:28:30,344 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-04 06:28:30,352 - INFO - number of entries in Hamiltonian_features.csv:  145
-2024-12-04 06:28:30,352 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-04 06:28:30,352 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 06:28:30,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:28:30,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:28:30,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:28:30,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:28:30,354 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:28:30,354 - INFO - number of supporting files: 1
-2024-12-04 06:28:30,354 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-04 06:28:30,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-04 06:28:30,355 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-04 06:28:30,362 - INFO - number of entries in Hamiltonian_features.csv:  145
-2024-12-04 06:28:30,363 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-04 06:28:30,363 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 06:28:30,363 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:28:30,363 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:28:30,363 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:28:30,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:28:30,365 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:28:30,365 - INFO - number of supporting files: 1
-2024-12-04 06:28:30,365 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-04 06:28:30,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-04 06:28:30,365 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-04 06:28:30,373 - INFO - number of entries in Hamiltonian_features.csv:  145
-2024-12-04 06:28:30,373 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-04 06:28:30,373 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 06:28:30,373 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:28:30,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:28:30,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:28:30,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:28:30,375 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:28:30,375 - INFO - number of supporting files: 1
-2024-12-04 06:28:30,375 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-04 06:28:30,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-04 06:28:30,375 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-04 06:28:30,383 - INFO - number of entries in Hamiltonian_features.csv:  145
-2024-12-04 06:28:30,384 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-04 06:28:30,384 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 06:28:30,384 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:28:30,384 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:28:30,384 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:28:30,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:28:30,386 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:28:30,386 - INFO - number of supporting files: 1
-2024-12-04 06:28:30,386 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-04 06:28:30,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-04 06:28:30,386 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-04 06:28:30,394 - INFO - number of entries in Hamiltonian_features.csv:  145
-2024-12-04 06:28:30,394 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-04 06:28:30,394 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 06:28:30,394 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 06:28:30,394 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 06:28:30,394 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:28:30,394 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 06:28:30,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:28:30,396 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:28:30,396 - INFO - number of supporting files: 2
-2024-12-04 06:28:30,396 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 06:28:30,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 06:28:30,396 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 06:28:30,404 - INFO - number of entries in Hamiltonian_features.csv:  145
-2024-12-04 06:28:30,404 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 06:28:30,404 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 06:28:30,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 06:28:30,404 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:28:30,404 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 06:28:30,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:28:30,405 - INFO - number of orbitals:  115
-2024-12-04 06:28:30,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:28:30,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:28:30,405 - INFO - moving on ...
-2024-12-04 06:28:30,405 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 06:28:30,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:28:30,406 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:28:30,407 - INFO - number of supporting files: 2
-2024-12-04 06:28:30,407 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-04 06:28:30,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-04 06:28:30,407 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-04 06:28:30,415 - INFO - number of entries in Hamiltonian_features.csv:  145
-2024-12-04 06:28:30,415 - INFO - did NOT find instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 in database.
-2024-12-04 06:28:30,415 - INFO - Processing instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 ...
-2024-12-04 06:28:30,415 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz...
-2024-12-04 06:28:30,465 - INFO - Connected (version 2.0, client 0)
-2024-12-04 06:28:30,975 - INFO - Authentication (publickey) successful!
-2024-12-04 06:28:30,995 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 06:28:31,621 - INFO - [chan 0] sftp session closed.
-2024-12-04 06:28:31,621 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 06:28:31,621 - INFO - decompressing file fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz...
-2024-12-04 06:28:31,841 - INFO - this script has been running for 20.44 hours.
-2024-12-04 06:28:31,841 - INFO - ===============================================
-2024-12-04 06:28:31,841 - INFO - calculating Hamiltonian features...
-2024-12-04 06:28:31,841 - INFO - reading data from fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051
-2024-12-04 06:28:33,671 - INFO - finished reading FCIDUMP data.
-2024-12-04 06:28:33,671 - INFO - data['NORB']: 58
-2024-12-04 06:28:33,671 - INFO - len(data['H1']): 58
-2024-12-04 06:28:33,671 - INFO - ao2mo.restore...
-2024-12-04 06:28:33,702 - INFO - done.
-2024-12-04 06:28:33,702 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 06:28:33,702 - INFO - done.
-2024-12-04 06:28:33,702 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 06:40:59,051 - INFO - done.
-2024-12-04 06:40:59,051 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 06:41:59,271 - INFO - done.
-2024-12-04 06:41:59,271 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 06:42:05,721 - INFO - done.
-2024-12-04 06:42:05,721 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 06:42:07,884 - INFO - done.
-2024-12-04 06:42:07,884 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 06:42:07,884 - INFO - done.
-2024-12-04 06:42:07,884 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 06:42:07,884 - INFO - done.
-2024-12-04 06:42:08,440 - INFO - Hamiltonian features calculation run time (seconds): 816.599042
-2024-12-04 06:42:08,441 - INFO - wrote df_eigs to file: df_eigs.59fca8b4-25f4-44f7-b961-34d6a4037051.bin
-2024-12-04 06:42:08,441 - INFO - deleting file fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-04 06:42:08,444 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 06:42:08,451 - INFO - this script has been running for 20.67 hours.
-2024-12-04 06:42:08,451 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-04 06:42:08,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-04 06:42:08,451 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,451 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 06:42:08,452 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 06:42:08,452 - INFO - problem_instance short name: mo2_n2
-2024-12-04 06:42:08,452 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,452 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 06:42:08,452 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,452 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,452 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,454 - INFO - number of orbitals:  69
-2024-12-04 06:42:08,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,454 - INFO - moving on ...
-2024-12-04 06:42:08,454 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 06:42:08,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,454 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,456 - INFO - number of orbitals:  70
-2024-12-04 06:42:08,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,456 - INFO - moving on ...
-2024-12-04 06:42:08,456 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 06:42:08,456 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,456 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,456 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,458 - INFO - number of orbitals:  69
-2024-12-04 06:42:08,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,458 - INFO - moving on ...
-2024-12-04 06:42:08,458 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 06:42:08,458 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 06:42:08,458 - INFO - problem_instance short name: h2_s_0
-2024-12-04 06:42:08,458 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,458 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 06:42:08,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,459 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,459 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,459 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 06:42:08,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 06:42:08,460 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 06:42:08,468 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,468 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,468 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 06:42:08,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 06:42:08,468 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,468 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 06:42:08,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,469 - INFO - number of orbitals:  119
-2024-12-04 06:42:08,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,469 - INFO - moving on ...
-2024-12-04 06:42:08,469 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 06:42:08,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,470 - INFO - number of orbitals:  62
-2024-12-04 06:42:08,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,470 - INFO - moving on ...
-2024-12-04 06:42:08,470 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 06:42:08,471 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 06:42:08,471 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 06:42:08,471 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,471 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 06:42:08,471 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,471 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,471 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,472 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,472 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,473 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-04 06:42:08,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-04 06:42:08,473 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-04 06:42:08,480 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,480 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,480 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 06:42:08,481 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,481 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,481 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,482 - INFO - number of orbitals:  70
-2024-12-04 06:42:08,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,482 - INFO - moving on ...
-2024-12-04 06:42:08,482 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 06:42:08,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,484 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,484 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,484 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-04 06:42:08,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-04 06:42:08,484 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-04 06:42:08,493 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,493 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,493 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 06:42:08,494 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,494 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,494 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,495 - INFO - number of orbitals:  69
-2024-12-04 06:42:08,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,495 - INFO - moving on ...
-2024-12-04 06:42:08,495 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 06:42:08,495 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,496 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,496 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,497 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,497 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,497 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 06:42:08,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 06:42:08,497 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 06:42:08,506 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,506 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,506 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 06:42:08,506 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,506 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,506 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,508 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,508 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,508 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-04 06:42:08,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-04 06:42:08,508 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-04 06:42:08,517 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,517 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,517 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 06:42:08,517 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,517 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,517 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,519 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,519 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,519 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-04 06:42:08,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-04 06:42:08,520 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-04 06:42:08,528 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,528 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,528 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 06:42:08,528 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,528 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,528 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,530 - INFO - number of orbitals:  69
-2024-12-04 06:42:08,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,530 - INFO - moving on ...
-2024-12-04 06:42:08,530 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 06:42:08,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,530 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,532 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,532 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,532 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 06:42:08,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 06:42:08,532 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 06:42:08,540 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,540 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,540 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 06:42:08,540 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,542 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,542 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,542 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-04 06:42:08,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-04 06:42:08,542 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-04 06:42:08,550 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,550 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,550 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 06:42:08,550 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,552 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,552 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,552 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 06:42:08,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 06:42:08,552 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 06:42:08,560 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,560 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,560 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 06:42:08,560 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,560 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,560 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,562 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,562 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,562 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-04 06:42:08,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-04 06:42:08,562 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-04 06:42:08,570 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,570 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,570 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 06:42:08,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,572 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,572 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,572 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 06:42:08,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 06:42:08,572 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 06:42:08,580 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,580 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,580 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 06:42:08,580 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,581 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,581 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,582 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,582 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,582 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-04 06:42:08,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-04 06:42:08,582 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-04 06:42:08,591 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,591 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,591 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 06:42:08,591 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,591 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,592 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,593 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,593 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,593 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 06:42:08,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 06:42:08,593 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 06:42:08,601 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,601 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,601 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 06:42:08,601 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,601 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,601 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,603 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,603 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,603 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-04 06:42:08,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-04 06:42:08,603 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-04 06:42:08,610 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,611 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,611 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 06:42:08,611 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 06:42:08,611 - INFO - problem_instance short name: Cr_1
-2024-12-04 06:42:08,611 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,611 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 06:42:08,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,612 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,612 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,612 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-04 06:42:08,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-04 06:42:08,612 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-04 06:42:08,620 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,620 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,620 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-04 06:42:08,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-04 06:42:08,620 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,620 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 06:42:08,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,621 - INFO - number of orbitals:  135
-2024-12-04 06:42:08,621 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,621 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,622 - INFO - moving on ...
-2024-12-04 06:42:08,622 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 06:42:08,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,623 - INFO - number of orbitals:  88
-2024-12-04 06:42:08,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,623 - INFO - moving on ...
-2024-12-04 06:42:08,623 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 06:42:08,623 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 06:42:08,623 - INFO - problem_instance short name: si_o_0
-2024-12-04 06:42:08,623 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,623 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 06:42:08,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,624 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,624 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,624 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 06:42:08,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 06:42:08,624 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 06:42:08,633 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,633 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,633 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 06:42:08,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 06:42:08,633 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,633 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 06:42:08,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,634 - INFO - number of orbitals:  114
-2024-12-04 06:42:08,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,634 - INFO - moving on ...
-2024-12-04 06:42:08,634 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 06:42:08,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,635 - INFO - number of orbitals:  64
-2024-12-04 06:42:08,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,636 - INFO - moving on ...
-2024-12-04 06:42:08,636 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 06:42:08,636 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 06:42:08,636 - INFO - problem_instance short name: c_h4_0
-2024-12-04 06:42:08,636 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,636 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 06:42:08,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,637 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,637 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,637 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 06:42:08,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 06:42:08,637 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 06:42:08,645 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,645 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,645 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 06:42:08,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 06:42:08,645 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,645 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 06:42:08,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,646 - INFO - number of orbitals:  86
-2024-12-04 06:42:08,646 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,646 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,646 - INFO - moving on ...
-2024-12-04 06:42:08,646 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 06:42:08,646 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 06:42:08,646 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 06:42:08,646 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,646 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 06:42:08,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,647 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,647 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,647 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 06:42:08,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 06:42:08,648 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 06:42:08,656 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,656 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,656 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 06:42:08,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 06:42:08,656 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,656 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 06:42:08,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,658 - INFO - number of orbitals:  74
-2024-12-04 06:42:08,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,658 - INFO - moving on ...
-2024-12-04 06:42:08,658 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 06:42:08,658 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 06:42:08,658 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 06:42:08,658 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,658 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 06:42:08,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,659 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,659 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,659 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 06:42:08,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 06:42:08,659 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 06:42:08,667 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,668 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,668 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 06:42:08,668 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 06:42:08,668 - INFO - problem_instance short name: O_1
-2024-12-04 06:42:08,668 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,668 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 06:42:08,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,669 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,669 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,670 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 06:42:08,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 06:42:08,670 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 06:42:08,678 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,679 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,679 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 06:42:08,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 06:42:08,679 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,679 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 06:42:08,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,680 - INFO - number of orbitals:  79
-2024-12-04 06:42:08,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,680 - INFO - moving on ...
-2024-12-04 06:42:08,680 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 06:42:08,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,681 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,681 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,681 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-04 06:42:08,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-04 06:42:08,681 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-04 06:42:08,690 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,690 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,690 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-04 06:42:08,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-04 06:42:08,690 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,690 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 06:42:08,690 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 06:42:08,690 - INFO - problem_instance short name: Fe_0
-2024-12-04 06:42:08,690 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,691 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 06:42:08,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,692 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,692 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,692 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-04 06:42:08,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-04 06:42:08,692 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-04 06:42:08,700 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,700 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,700 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-04 06:42:08,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-04 06:42:08,701 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,701 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 06:42:08,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,702 - INFO - number of orbitals:  88
-2024-12-04 06:42:08,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,702 - INFO - moving on ...
-2024-12-04 06:42:08,702 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 06:42:08,702 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 06:42:08,702 - INFO - problem_instance short name: ScO_0
-2024-12-04 06:42:08,702 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,702 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 06:42:08,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,703 - INFO - number of orbitals:  76
-2024-12-04 06:42:08,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,703 - INFO - moving on ...
-2024-12-04 06:42:08,704 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 06:42:08,704 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 06:42:08,704 - INFO - problem_instance short name: Fe_1
-2024-12-04 06:42:08,704 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,704 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 06:42:08,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,705 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,705 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,705 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-04 06:42:08,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-04 06:42:08,705 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-04 06:42:08,714 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,714 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,714 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-04 06:42:08,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-04 06:42:08,714 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,714 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 06:42:08,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,716 - INFO - number of orbitals:  88
-2024-12-04 06:42:08,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,716 - INFO - moving on ...
-2024-12-04 06:42:08,716 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 06:42:08,716 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 06:42:08,716 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 06:42:08,716 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,716 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 06:42:08,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,717 - INFO - number of orbitals:  66
-2024-12-04 06:42:08,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,717 - INFO - moving on ...
-2024-12-04 06:42:08,717 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 06:42:08,718 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 06:42:08,718 - INFO - problem_instance short name: benzene
-2024-12-04 06:42:08,718 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,718 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 06:42:08,718 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,719 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,720 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,720 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 06:42:08,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 06:42:08,720 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 06:42:08,728 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,728 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,728 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 06:42:08,728 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,728 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,728 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,730 - INFO - number of orbitals:  108
-2024-12-04 06:42:08,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,730 - INFO - moving on ...
-2024-12-04 06:42:08,730 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 06:42:08,730 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 06:42:08,731 - INFO - problem_instance short name: c_o2_0
-2024-12-04 06:42:08,731 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,731 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 06:42:08,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,732 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,732 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,732 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-04 06:42:08,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-04 06:42:08,732 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-04 06:42:08,740 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,740 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,740 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-04 06:42:08,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-04 06:42:08,740 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,740 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 06:42:08,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,742 - INFO - number of orbitals:  90
-2024-12-04 06:42:08,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,742 - INFO - moving on ...
-2024-12-04 06:42:08,742 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 06:42:08,742 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 06:42:08,742 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 06:42:08,742 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,742 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 06:42:08,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,744 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,744 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,744 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-04 06:42:08,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-04 06:42:08,744 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-04 06:42:08,752 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,753 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,753 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-04 06:42:08,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-04 06:42:08,753 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,753 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 06:42:08,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,754 - INFO - number of orbitals:  88
-2024-12-04 06:42:08,754 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,754 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,754 - INFO - moving on ...
-2024-12-04 06:42:08,754 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 06:42:08,755 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 06:42:08,755 - INFO - problem_instance short name: cl2_0
-2024-12-04 06:42:08,755 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,755 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 06:42:08,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,756 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,756 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,756 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 06:42:08,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 06:42:08,756 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 06:42:08,765 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,765 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,765 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 06:42:08,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 06:42:08,765 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,765 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 06:42:08,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,766 - INFO - number of orbitals:  118
-2024-12-04 06:42:08,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,766 - INFO - moving on ...
-2024-12-04 06:42:08,766 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 06:42:08,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,767 - INFO - number of orbitals:  68
-2024-12-04 06:42:08,768 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,768 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,768 - INFO - moving on ...
-2024-12-04 06:42:08,768 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 06:42:08,768 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 06:42:08,768 - INFO - problem_instance short name: ru_mono
-2024-12-04 06:42:08,768 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,768 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 06:42:08,768 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,768 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,768 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,770 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,770 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,770 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 06:42:08,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 06:42:08,770 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 06:42:08,778 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,778 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,779 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 06:42:08,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,780 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,780 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,780 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 06:42:08,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 06:42:08,780 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 06:42:08,788 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,789 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,789 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 06:42:08,789 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,789 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,789 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,791 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,791 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,791 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 06:42:08,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 06:42:08,791 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 06:42:08,799 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,799 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,799 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 06:42:08,799 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,799 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,799 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,801 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,801 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,801 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-04 06:42:08,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-04 06:42:08,801 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-04 06:42:08,809 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,809 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,809 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 06:42:08,810 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,810 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,810 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,811 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,811 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,812 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 06:42:08,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 06:42:08,812 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 06:42:08,820 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,821 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,821 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 06:42:08,821 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,822 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,822 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,822 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 06:42:08,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 06:42:08,823 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 06:42:08,831 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,831 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,831 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 06:42:08,831 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 06:42:08,831 - INFO - problem_instance short name: Cu_0
-2024-12-04 06:42:08,831 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,831 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 06:42:08,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,832 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,832 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,832 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-04 06:42:08,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-04 06:42:08,832 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-04 06:42:08,840 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,840 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,840 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-04 06:42:08,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-04 06:42:08,840 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,840 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 06:42:08,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,842 - INFO - number of orbitals:  88
-2024-12-04 06:42:08,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 06:42:08,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,842 - INFO - moving on ...
-2024-12-04 06:42:08,842 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 06:42:08,842 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 06:42:08,842 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 06:42:08,842 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,842 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 06:42:08,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,843 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,843 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,843 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 06:42:08,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 06:42:08,843 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 06:42:08,851 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,852 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,852 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 06:42:08,852 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 06:42:08,852 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,852 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 06:42:08,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,853 - INFO - number of orbitals:  74
-2024-12-04 06:42:08,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:08,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,853 - INFO - moving on ...
-2024-12-04 06:42:08,853 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 06:42:08,853 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 06:42:08,853 - INFO - problem_instance short name: p2_0
-2024-12-04 06:42:08,853 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,853 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 06:42:08,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,854 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,854 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,854 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-04 06:42:08,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-04 06:42:08,855 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-04 06:42:08,863 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,863 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,863 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-04 06:42:08,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-04 06:42:08,863 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,863 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 06:42:08,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,864 - INFO - number of orbitals:  118
-2024-12-04 06:42:08,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:08,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,865 - INFO - moving on ...
-2024-12-04 06:42:08,865 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 06:42:08,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,866 - INFO - number of orbitals:  68
-2024-12-04 06:42:08,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:08,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,866 - INFO - moving on ...
-2024-12-04 06:42:08,866 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 06:42:08,866 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 06:42:08,866 - INFO - problem_instance short name: Ti_0
-2024-12-04 06:42:08,866 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,866 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 06:42:08,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,867 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,867 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,867 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-04 06:42:08,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-04 06:42:08,868 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-04 06:42:08,876 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,876 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,876 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-04 06:42:08,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-04 06:42:08,876 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,876 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 06:42:08,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,877 - INFO - number of orbitals:  88
-2024-12-04 06:42:08,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:08,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,878 - INFO - moving on ...
-2024-12-04 06:42:08,878 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 06:42:08,878 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 06:42:08,878 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 06:42:08,878 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,878 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 06:42:08,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,879 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,879 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,879 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-04 06:42:08,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-04 06:42:08,879 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-04 06:42:08,887 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,887 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,887 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-04 06:42:08,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-04 06:42:08,888 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,888 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 06:42:08,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,889 - INFO - number of orbitals:  116
-2024-12-04 06:42:08,889 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:08,889 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,889 - INFO - moving on ...
-2024-12-04 06:42:08,889 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 06:42:08,889 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 06:42:08,889 - INFO - problem_instance short name: MnO_0
-2024-12-04 06:42:08,889 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,889 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 06:42:08,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,890 - INFO - number of orbitals:  76
-2024-12-04 06:42:08,890 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:08,890 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,890 - INFO - moving on ...
-2024-12-04 06:42:08,890 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 06:42:08,891 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 06:42:08,891 - INFO - problem_instance short name: fe_red
-2024-12-04 06:42:08,891 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,891 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 06:42:08,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,892 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,892 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,892 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-04 06:42:08,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-04 06:42:08,892 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-04 06:42:08,901 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,901 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,901 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 06:42:08,901 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,901 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,901 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,903 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,903 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,903 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-04 06:42:08,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-04 06:42:08,903 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-04 06:42:08,911 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,911 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,911 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 06:42:08,911 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,911 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,911 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,913 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,913 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,913 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-04 06:42:08,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-04 06:42:08,913 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-04 06:42:08,921 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,921 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,921 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 06:42:08,921 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,921 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,921 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,923 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,923 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,923 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-04 06:42:08,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-04 06:42:08,923 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-04 06:42:08,931 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,931 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,931 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 06:42:08,931 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,931 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,931 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,933 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,933 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,933 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-04 06:42:08,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-04 06:42:08,933 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-04 06:42:08,941 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,941 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,941 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 06:42:08,941 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,941 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,941 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,943 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,943 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,943 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-04 06:42:08,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-04 06:42:08,944 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-04 06:42:08,953 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,953 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,953 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 06:42:08,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,955 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,955 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,955 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-04 06:42:08,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-04 06:42:08,955 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-04 06:42:08,964 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,964 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,964 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 06:42:08,964 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,964 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,964 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,966 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,966 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,966 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-04 06:42:08,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-04 06:42:08,966 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-04 06:42:08,975 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,975 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,975 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 06:42:08,975 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:08,975 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:08,975 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:08,976 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,977 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,977 - INFO - number of supporting files: 1
-2024-12-04 06:42:08,977 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-04 06:42:08,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-04 06:42:08,977 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-04 06:42:08,986 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,986 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,987 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 06:42:08,987 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 06:42:08,987 - INFO - problem_instance short name: cl2_0
-2024-12-04 06:42:08,987 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:08,987 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 06:42:08,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,988 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:08,988 - INFO - number of supporting files: 2
-2024-12-04 06:42:08,988 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 06:42:08,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 06:42:08,988 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 06:42:08,997 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:08,997 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 06:42:08,997 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 06:42:08,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 06:42:08,997 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:08,997 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 06:42:08,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:08,998 - INFO - number of orbitals:  118
-2024-12-04 06:42:08,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:08,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:08,999 - INFO - moving on ...
-2024-12-04 06:42:08,999 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 06:42:09,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,000 - INFO - number of orbitals:  68
-2024-12-04 06:42:09,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,000 - INFO - moving on ...
-2024-12-04 06:42:09,000 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 06:42:09,000 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 06:42:09,000 - INFO - problem_instance short name: f2_0
-2024-12-04 06:42:09,000 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,000 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 06:42:09,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,001 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,001 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,001 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 06:42:09,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 06:42:09,001 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 06:42:09,010 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,010 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,010 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 06:42:09,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 06:42:09,010 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,010 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 06:42:09,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,012 - INFO - number of orbitals:  110
-2024-12-04 06:42:09,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,012 - INFO - moving on ...
-2024-12-04 06:42:09,012 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 06:42:09,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,013 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,013 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,013 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-04 06:42:09,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-04 06:42:09,013 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-04 06:42:09,023 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,023 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,023 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-04 06:42:09,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-04 06:42:09,023 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,023 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 06:42:09,023 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 06:42:09,023 - INFO - problem_instance short name: Cr_1
-2024-12-04 06:42:09,023 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,023 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 06:42:09,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,025 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,025 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,025 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-04 06:42:09,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-04 06:42:09,025 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-04 06:42:09,033 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,033 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,033 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-04 06:42:09,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-04 06:42:09,033 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,033 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 06:42:09,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,034 - INFO - number of orbitals:  135
-2024-12-04 06:42:09,034 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,035 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,035 - INFO - moving on ...
-2024-12-04 06:42:09,035 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 06:42:09,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,036 - INFO - number of orbitals:  88
-2024-12-04 06:42:09,036 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,036 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,036 - INFO - moving on ...
-2024-12-04 06:42:09,036 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 06:42:09,036 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 06:42:09,036 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 06:42:09,036 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,036 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 06:42:09,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,037 - INFO - number of orbitals:  69
-2024-12-04 06:42:09,037 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,037 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,037 - INFO - moving on ...
-2024-12-04 06:42:09,037 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 06:42:09,037 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 06:42:09,037 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 06:42:09,037 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,038 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 06:42:09,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,039 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,039 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,039 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-04 06:42:09,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-04 06:42:09,039 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-04 06:42:09,047 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,047 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,047 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-04 06:42:09,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-04 06:42:09,047 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,047 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 06:42:09,048 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 06:42:09,048 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 06:42:09,048 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,048 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 06:42:09,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,049 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,049 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,049 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 06:42:09,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 06:42:09,049 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 06:42:09,057 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,058 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,058 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 06:42:09,058 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 06:42:09,058 - INFO - problem_instance short name: n_h3_0
-2024-12-04 06:42:09,058 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,058 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 06:42:09,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,059 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,059 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,060 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 06:42:09,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 06:42:09,060 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 06:42:09,068 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,068 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,068 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 06:42:09,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 06:42:09,068 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,068 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 06:42:09,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,070 - INFO - number of orbitals:  72
-2024-12-04 06:42:09,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,070 - INFO - moving on ...
-2024-12-04 06:42:09,070 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 06:42:09,070 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 06:42:09,070 - INFO - problem_instance short name: FeO_0
-2024-12-04 06:42:09,070 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,070 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 06:42:09,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,071 - INFO - number of orbitals:  76
-2024-12-04 06:42:09,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,071 - INFO - moving on ...
-2024-12-04 06:42:09,071 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 06:42:09,071 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 06:42:09,071 - INFO - problem_instance short name: c_h4_0
-2024-12-04 06:42:09,071 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,072 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 06:42:09,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,073 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,073 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,073 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 06:42:09,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 06:42:09,073 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 06:42:09,081 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,082 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,082 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 06:42:09,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 06:42:09,082 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,082 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 06:42:09,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,083 - INFO - number of orbitals:  86
-2024-12-04 06:42:09,083 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,083 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,083 - INFO - moving on ...
-2024-12-04 06:42:09,083 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 06:42:09,083 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 06:42:09,083 - INFO - problem_instance short name: mn_mono
-2024-12-04 06:42:09,083 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,084 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 06:42:09,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:09,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:09,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:09,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,085 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,085 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,085 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 06:42:09,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 06:42:09,085 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 06:42:09,094 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,094 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,094 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 06:42:09,094 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:09,094 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:09,094 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:09,095 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,096 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,096 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,096 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 06:42:09,096 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 06:42:09,096 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 06:42:09,104 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,104 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,104 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 06:42:09,104 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:09,104 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:09,104 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:09,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,106 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,106 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,106 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 06:42:09,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 06:42:09,106 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 06:42:09,114 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,114 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,115 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 06:42:09,115 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:09,115 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:09,115 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:09,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,116 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,116 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,117 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 06:42:09,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 06:42:09,117 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 06:42:09,125 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,126 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,126 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 06:42:09,126 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:09,126 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:09,126 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:09,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,128 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,128 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,128 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 06:42:09,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 06:42:09,128 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 06:42:09,136 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,137 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,137 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 06:42:09,137 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:09,137 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:09,137 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:09,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,139 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,139 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,139 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 06:42:09,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 06:42:09,139 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 06:42:09,147 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,147 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,147 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 06:42:09,148 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:09,148 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:09,148 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:09,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,149 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,149 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,149 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 06:42:09,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 06:42:09,150 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 06:42:09,158 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,158 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,158 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 06:42:09,158 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 06:42:09,159 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 06:42:09,159 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 06:42:09,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,160 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,160 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,160 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 06:42:09,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 06:42:09,161 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 06:42:09,169 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,169 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,169 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 06:42:09,169 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 06:42:09,169 - INFO - problem_instance short name: h_f_0
-2024-12-04 06:42:09,169 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,169 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 06:42:09,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,171 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,171 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,171 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 06:42:09,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 06:42:09,171 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 06:42:09,179 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,179 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,179 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 06:42:09,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 06:42:09,179 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,180 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 06:42:09,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,181 - INFO - number of orbitals:  85
-2024-12-04 06:42:09,181 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,181 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,181 - INFO - moving on ...
-2024-12-04 06:42:09,181 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 06:42:09,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,182 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,182 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,182 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-04 06:42:09,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-04 06:42:09,182 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-04 06:42:09,191 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,191 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,191 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-04 06:42:09,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-04 06:42:09,191 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,191 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 06:42:09,192 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 06:42:09,192 - INFO - problem_instance short name: h_cl_0
-2024-12-04 06:42:09,192 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,192 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 06:42:09,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,193 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,193 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,193 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 06:42:09,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 06:42:09,193 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 06:42:09,202 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,202 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,203 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 06:42:09,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 06:42:09,203 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,203 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 06:42:09,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,204 - INFO - number of orbitals:  89
-2024-12-04 06:42:09,204 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,204 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,204 - INFO - moving on ...
-2024-12-04 06:42:09,204 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 06:42:09,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,205 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,205 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,205 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-04 06:42:09,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-04 06:42:09,205 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-04 06:42:09,214 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,215 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,215 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-04 06:42:09,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-04 06:42:09,215 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,215 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 06:42:09,215 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 06:42:09,215 - INFO - problem_instance short name: na_cl_0
-2024-12-04 06:42:09,215 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,215 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 06:42:09,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,217 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,217 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,217 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 06:42:09,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 06:42:09,217 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 06:42:09,225 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,226 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,226 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 06:42:09,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 06:42:09,226 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,226 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 06:42:09,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,227 - INFO - number of orbitals:  118
-2024-12-04 06:42:09,227 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,227 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,227 - INFO - moving on ...
-2024-12-04 06:42:09,227 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 06:42:09,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,228 - INFO - number of orbitals:  68
-2024-12-04 06:42:09,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,229 - INFO - moving on ...
-2024-12-04 06:42:09,229 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 06:42:09,229 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 06:42:09,229 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 06:42:09,229 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,229 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 06:42:09,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,230 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,230 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,230 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 06:42:09,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 06:42:09,230 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 06:42:09,238 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,239 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,239 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 06:42:09,239 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 06:42:09,239 - INFO - problem_instance short name: c_o_0
-2024-12-04 06:42:09,239 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,239 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 06:42:09,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,240 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,240 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,240 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 06:42:09,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 06:42:09,240 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 06:42:09,248 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,249 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,249 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 06:42:09,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 06:42:09,249 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,249 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 06:42:09,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,250 - INFO - number of orbitals:  110
-2024-12-04 06:42:09,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,250 - INFO - moving on ...
-2024-12-04 06:42:09,250 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 06:42:09,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,251 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,251 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,251 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-04 06:42:09,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-04 06:42:09,251 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-04 06:42:09,260 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,260 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,261 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-04 06:42:09,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-04 06:42:09,261 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,261 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 06:42:09,261 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 06:42:09,261 - INFO - problem_instance short name: c_o2_0
-2024-12-04 06:42:09,261 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,261 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 06:42:09,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,262 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,262 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,262 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-04 06:42:09,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-04 06:42:09,262 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-04 06:42:09,271 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,271 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,271 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-04 06:42:09,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-04 06:42:09,271 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,271 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 06:42:09,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,272 - INFO - number of orbitals:  90
-2024-12-04 06:42:09,272 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,272 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,272 - INFO - moving on ...
-2024-12-04 06:42:09,272 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 06:42:09,272 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 06:42:09,272 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 06:42:09,273 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,273 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 06:42:09,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,274 - INFO - number of orbitals:  66
-2024-12-04 06:42:09,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,274 - INFO - moving on ...
-2024-12-04 06:42:09,274 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 06:42:09,274 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 06:42:09,274 - INFO - problem_instance short name: Sc_0
-2024-12-04 06:42:09,274 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,274 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 06:42:09,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,275 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,275 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,275 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-04 06:42:09,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-04 06:42:09,275 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-04 06:42:09,283 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,284 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,284 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-04 06:42:09,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-04 06:42:09,284 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,284 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 06:42:09,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,285 - INFO - number of orbitals:  135
-2024-12-04 06:42:09,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,285 - INFO - moving on ...
-2024-12-04 06:42:09,285 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 06:42:09,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,286 - INFO - number of orbitals:  88
-2024-12-04 06:42:09,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,286 - INFO - moving on ...
-2024-12-04 06:42:09,286 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 06:42:09,287 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 06:42:09,287 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 06:42:09,287 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,287 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 06:42:09,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,288 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,288 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,288 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 06:42:09,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 06:42:09,288 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 06:42:09,296 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,296 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,297 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 06:42:09,297 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 06:42:09,297 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 06:42:09,297 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,297 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 06:42:09,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,298 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,298 - INFO - number of supporting files: 1
-2024-12-04 06:42:09,298 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 06:42:09,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 06:42:09,298 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 06:42:09,306 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,307 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,307 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 06:42:09,307 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 06:42:09,307 - INFO - problem_instance short name: Fe_0
-2024-12-04 06:42:09,307 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,307 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 06:42:09,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,308 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,308 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,308 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-04 06:42:09,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-04 06:42:09,308 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-04 06:42:09,316 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,316 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,316 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-04 06:42:09,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-04 06:42:09,317 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,317 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 06:42:09,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,318 - INFO - number of orbitals:  88
-2024-12-04 06:42:09,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,318 - INFO - moving on ...
-2024-12-04 06:42:09,318 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 06:42:09,318 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 06:42:09,318 - INFO - problem_instance short name: si_o_0
-2024-12-04 06:42:09,318 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 06:42:09,318 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 06:42:09,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,319 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,319 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,319 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 06:42:09,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 06:42:09,319 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 06:42:09,328 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,328 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 06:42:09,328 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 06:42:09,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 06:42:09,328 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 06:42:09,328 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 06:42:09,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,329 - INFO - number of orbitals:  114
-2024-12-04 06:42:09,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 06:42:09,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 06:42:09,329 - INFO - moving on ...
-2024-12-04 06:42:09,329 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 06:42:09,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 06:42:09,331 - INFO - attempting to process the Hamiltonian...
-2024-12-04 06:42:09,331 - INFO - number of supporting files: 2
-2024-12-04 06:42:09,331 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-04 06:42:09,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-04 06:42:09,331 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-04 06:42:09,339 - INFO - number of entries in Hamiltonian_features.csv:  146
-2024-12-04 06:42:09,339 - INFO - did NOT find instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 in database.
-2024-12-04 06:42:09,339 - INFO - Processing instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 ...
-2024-12-04 06:42:09,339 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz...
-2024-12-04 06:42:09,386 - INFO - Connected (version 2.0, client 0)
-2024-12-04 06:42:12,240 - INFO - Authentication (publickey) successful!
-2024-12-04 06:42:12,265 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 06:42:14,166 - INFO - [chan 0] sftp session closed.
-2024-12-04 06:42:14,166 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 06:42:14,166 - INFO - decompressing file fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz...
-2024-12-04 06:42:14,633 - INFO - this script has been running for 20.67 hours.
-2024-12-04 06:42:14,633 - INFO - ===============================================
-2024-12-04 06:42:14,633 - INFO - calculating Hamiltonian features...
-2024-12-04 06:42:14,633 - INFO - reading data from fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7
-2024-12-04 06:42:18,500 - INFO - finished reading FCIDUMP data.
-2024-12-04 06:42:18,501 - INFO - data['NORB']: 64
-2024-12-04 06:42:18,501 - INFO - len(data['H1']): 64
-2024-12-04 06:42:18,501 - INFO - ao2mo.restore...
-2024-12-04 06:42:18,550 - INFO - done.
-2024-12-04 06:42:18,550 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 06:42:18,550 - INFO - done.
-2024-12-04 06:42:18,550 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 07:09:59,318 - INFO - done.
-2024-12-04 07:09:59,318 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 07:12:27,545 - INFO - done.
-2024-12-04 07:12:27,545 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 07:12:44,444 - INFO - done.
-2024-12-04 07:12:44,444 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 07:12:49,231 - INFO - done.
-2024-12-04 07:12:49,231 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 07:12:49,231 - INFO - done.
-2024-12-04 07:12:49,231 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 07:12:49,231 - INFO - done.
-2024-12-04 07:12:50,578 - INFO - Hamiltonian features calculation run time (seconds): 1835.94458
-2024-12-04 07:12:50,578 - INFO - wrote df_eigs to file: df_eigs.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.bin
-2024-12-04 07:12:50,579 - INFO - deleting file fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-04 07:12:50,588 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 07:12:50,594 - INFO - this script has been running for 21.18 hours.
-2024-12-04 07:12:50,594 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-04 07:12:50,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-04 07:12:50,594 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:12:50,594 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 07:12:50,594 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 07:12:50,594 - INFO - problem_instance short name: h2_s_0
-2024-12-04 07:12:50,594 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 07:12:50,594 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 07:12:50,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:12:50,596 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:12:50,596 - INFO - number of supporting files: 2
-2024-12-04 07:12:50,596 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 07:12:50,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 07:12:50,596 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 07:12:50,607 - INFO - number of entries in Hamiltonian_features.csv:  147
-2024-12-04 07:12:50,608 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 07:12:50,608 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 07:12:50,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 07:12:50,608 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:12:50,608 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 07:12:50,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:12:50,610 - INFO - number of orbitals:  119
-2024-12-04 07:12:50,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 07:12:50,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 07:12:50,610 - INFO - moving on ...
-2024-12-04 07:12:50,610 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 07:12:50,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:12:50,612 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:12:50,612 - INFO - number of supporting files: 2
-2024-12-04 07:12:50,612 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-04 07:12:50,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-04 07:12:50,612 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-04 07:12:50,623 - INFO - number of entries in Hamiltonian_features.csv:  147
-2024-12-04 07:12:50,624 - INFO - did NOT find instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f in database.
-2024-12-04 07:12:50,624 - INFO - Processing instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f ...
-2024-12-04 07:12:50,624 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz...
-2024-12-04 07:12:50,667 - INFO - Connected (version 2.0, client 0)
-2024-12-04 07:12:51,194 - INFO - Authentication (publickey) successful!
-2024-12-04 07:12:51,210 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 07:12:52,516 - INFO - [chan 0] sftp session closed.
-2024-12-04 07:12:52,517 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 07:12:52,517 - INFO - decompressing file fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz...
-2024-12-04 07:12:52,941 - INFO - this script has been running for 21.18 hours.
-2024-12-04 07:12:52,941 - INFO - ===============================================
-2024-12-04 07:12:52,941 - INFO - calculating Hamiltonian features...
-2024-12-04 07:12:52,941 - INFO - reading data from fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f
-2024-12-04 07:12:56,577 - INFO - finished reading FCIDUMP data.
-2024-12-04 07:12:56,577 - INFO - data['NORB']: 62
-2024-12-04 07:12:56,577 - INFO - len(data['H1']): 62
-2024-12-04 07:12:56,577 - INFO - ao2mo.restore...
-2024-12-04 07:12:56,619 - INFO - done.
-2024-12-04 07:12:56,619 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 07:12:56,619 - INFO - done.
-2024-12-04 07:12:56,619 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 07:35:24,702 - INFO - done.
-2024-12-04 07:35:24,702 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 07:36:45,788 - INFO - done.
-2024-12-04 07:36:45,788 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 07:36:54,980 - INFO - done.
-2024-12-04 07:36:54,981 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 07:36:58,439 - INFO - done.
-2024-12-04 07:36:58,439 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 07:36:58,439 - INFO - done.
-2024-12-04 07:36:58,439 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 07:36:58,439 - INFO - done.
-2024-12-04 07:36:59,256 - INFO - Hamiltonian features calculation run time (seconds): 1446.314142
-2024-12-04 07:36:59,256 - INFO - wrote df_eigs to file: df_eigs.83f0f242-e184-4581-a77a-f019731d8a6f.bin
-2024-12-04 07:36:59,256 - INFO - deleting file fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-04 07:36:59,265 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 07:36:59,271 - INFO - this script has been running for 21.58 hours.
-2024-12-04 07:36:59,271 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-04 07:36:59,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-04 07:36:59,271 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:36:59,271 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 07:36:59,271 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 07:36:59,271 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 07:36:59,271 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,271 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 07:36:59,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,273 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,273 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,273 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 07:36:59,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 07:36:59,273 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 07:36:59,282 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,282 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,282 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 07:36:59,282 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 07:36:59,282 - INFO - problem_instance short name: Mn_0
-2024-12-04 07:36:59,282 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,282 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 07:36:59,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,284 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,284 - INFO - number of supporting files: 2
-2024-12-04 07:36:59,284 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-04 07:36:59,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-04 07:36:59,284 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-04 07:36:59,293 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,293 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,293 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-04 07:36:59,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-04 07:36:59,293 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:36:59,294 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 07:36:59,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,295 - INFO - number of orbitals:  88
-2024-12-04 07:36:59,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 07:36:59,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 07:36:59,295 - INFO - moving on ...
-2024-12-04 07:36:59,295 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 07:36:59,295 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 07:36:59,295 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 07:36:59,295 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,295 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 07:36:59,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,296 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,296 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,297 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 07:36:59,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 07:36:59,297 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 07:36:59,305 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,306 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,306 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 07:36:59,306 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 07:36:59,306 - INFO - problem_instance short name: TiO_0
-2024-12-04 07:36:59,306 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,306 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 07:36:59,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,307 - INFO - number of orbitals:  76
-2024-12-04 07:36:59,308 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 07:36:59,308 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 07:36:59,308 - INFO - moving on ...
-2024-12-04 07:36:59,308 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 07:36:59,308 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 07:36:59,308 - INFO - problem_instance short name: O_0
-2024-12-04 07:36:59,308 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,308 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 07:36:59,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,309 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,309 - INFO - number of supporting files: 2
-2024-12-04 07:36:59,309 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 07:36:59,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 07:36:59,309 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 07:36:59,317 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,318 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,318 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 07:36:59,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 07:36:59,318 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:36:59,318 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 07:36:59,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,319 - INFO - number of orbitals:  79
-2024-12-04 07:36:59,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 07:36:59,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 07:36:59,319 - INFO - moving on ...
-2024-12-04 07:36:59,319 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 07:36:59,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,321 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,321 - INFO - number of supporting files: 2
-2024-12-04 07:36:59,321 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-04 07:36:59,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-04 07:36:59,321 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-04 07:36:59,329 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,330 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,330 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-04 07:36:59,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-04 07:36:59,330 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:36:59,330 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 07:36:59,330 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 07:36:59,330 - INFO - problem_instance short name: ru_macho
-2024-12-04 07:36:59,330 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,330 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 07:36:59,330 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,331 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,331 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,332 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,332 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,332 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 07:36:59,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 07:36:59,332 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 07:36:59,341 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,341 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,341 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 07:36:59,341 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,342 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,342 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,343 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,343 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,344 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 07:36:59,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 07:36:59,344 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 07:36:59,352 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,352 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,352 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 07:36:59,352 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,355 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,355 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,355 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 07:36:59,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 07:36:59,355 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 07:36:59,364 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,364 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,364 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 07:36:59,364 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,364 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,364 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,366 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,366 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,366 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 07:36:59,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 07:36:59,366 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 07:36:59,374 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,375 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,375 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 07:36:59,375 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,375 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,375 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,377 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,377 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,377 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 07:36:59,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 07:36:59,377 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 07:36:59,386 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,386 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,386 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 07:36:59,386 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,388 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,388 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,388 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 07:36:59,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 07:36:59,388 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 07:36:59,397 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,397 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,397 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 07:36:59,397 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,397 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,398 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,399 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,400 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,400 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-04 07:36:59,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-04 07:36:59,400 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-04 07:36:59,408 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,408 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,408 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 07:36:59,408 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,408 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,408 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,410 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,410 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,410 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 07:36:59,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 07:36:59,410 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 07:36:59,418 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,418 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,418 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 07:36:59,418 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,420 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,420 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,420 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-04 07:36:59,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-04 07:36:59,420 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-04 07:36:59,428 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,429 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,429 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 07:36:59,429 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 07:36:59,429 - INFO - problem_instance short name: Mn_1
-2024-12-04 07:36:59,429 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,429 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 07:36:59,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,430 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,430 - INFO - number of supporting files: 2
-2024-12-04 07:36:59,430 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-04 07:36:59,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-04 07:36:59,431 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-04 07:36:59,439 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,439 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,439 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-04 07:36:59,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-04 07:36:59,439 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:36:59,439 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 07:36:59,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,440 - INFO - number of orbitals:  88
-2024-12-04 07:36:59,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 07:36:59,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 07:36:59,440 - INFO - moving on ...
-2024-12-04 07:36:59,440 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 07:36:59,440 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 07:36:59,440 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 07:36:59,440 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,441 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 07:36:59,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,442 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,442 - INFO - number of supporting files: 2
-2024-12-04 07:36:59,442 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-04 07:36:59,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-04 07:36:59,442 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-04 07:36:59,450 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,451 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,451 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-04 07:36:59,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-04 07:36:59,451 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:36:59,451 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 07:36:59,451 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 07:36:59,451 - INFO - problem_instance short name: Ti_1
-2024-12-04 07:36:59,451 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,451 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 07:36:59,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,452 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,453 - INFO - number of supporting files: 2
-2024-12-04 07:36:59,453 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-04 07:36:59,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-04 07:36:59,453 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-04 07:36:59,461 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,461 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,461 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-04 07:36:59,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-04 07:36:59,461 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:36:59,461 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 07:36:59,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,462 - INFO - number of orbitals:  88
-2024-12-04 07:36:59,462 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 07:36:59,462 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 07:36:59,463 - INFO - moving on ...
-2024-12-04 07:36:59,463 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 07:36:59,463 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 07:36:59,463 - INFO - problem_instance short name: Sc_1
-2024-12-04 07:36:59,463 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,463 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 07:36:59,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,464 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,464 - INFO - number of supporting files: 2
-2024-12-04 07:36:59,464 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-04 07:36:59,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-04 07:36:59,464 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-04 07:36:59,472 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,473 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,473 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-04 07:36:59,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-04 07:36:59,473 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:36:59,473 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 07:36:59,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,474 - INFO - number of orbitals:  135
-2024-12-04 07:36:59,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 07:36:59,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 07:36:59,474 - INFO - moving on ...
-2024-12-04 07:36:59,474 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 07:36:59,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,475 - INFO - number of orbitals:  88
-2024-12-04 07:36:59,475 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 07:36:59,475 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 07:36:59,476 - INFO - moving on ...
-2024-12-04 07:36:59,476 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 07:36:59,476 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 07:36:59,476 - INFO - problem_instance short name: blue_dimer
-2024-12-04 07:36:59,476 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,476 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 07:36:59,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,476 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,476 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,478 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,478 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,478 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 07:36:59,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 07:36:59,478 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 07:36:59,486 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,486 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,486 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 07:36:59,486 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,486 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,486 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,488 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,488 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,488 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 07:36:59,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 07:36:59,488 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 07:36:59,496 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,496 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,496 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 07:36:59,496 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,496 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,496 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,498 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,498 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,498 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 07:36:59,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 07:36:59,498 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 07:36:59,506 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,506 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,506 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 07:36:59,506 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,506 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,506 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,508 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,508 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,508 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-04 07:36:59,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-04 07:36:59,508 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-04 07:36:59,515 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,515 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,515 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 07:36:59,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,516 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,516 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,517 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,517 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,517 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 07:36:59,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 07:36:59,517 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 07:36:59,525 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,525 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,525 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 07:36:59,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,525 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,525 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,527 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,527 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,527 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 07:36:59,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 07:36:59,527 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 07:36:59,535 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,535 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,535 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 07:36:59,535 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,535 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,537 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,537 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,537 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 07:36:59,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 07:36:59,537 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 07:36:59,545 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,545 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,545 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 07:36:59,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,547 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,547 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,547 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-04 07:36:59,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-04 07:36:59,547 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-04 07:36:59,555 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,555 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,555 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 07:36:59,556 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,556 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,556 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,557 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,558 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,558 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 07:36:59,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 07:36:59,558 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 07:36:59,567 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,567 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,567 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 07:36:59,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,569 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,569 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,569 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 07:36:59,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 07:36:59,570 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 07:36:59,579 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,579 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,579 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 07:36:59,579 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,579 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,579 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,581 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,582 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,582 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 07:36:59,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 07:36:59,582 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 07:36:59,591 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,592 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,592 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 07:36:59,592 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 07:36:59,592 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 07:36:59,592 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 07:36:59,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,594 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,594 - INFO - number of supporting files: 1
-2024-12-04 07:36:59,594 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-04 07:36:59,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-04 07:36:59,594 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-04 07:36:59,603 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,603 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,603 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 07:36:59,603 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 07:36:59,603 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 07:36:59,604 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 07:36:59,604 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 07:36:59,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,605 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,605 - INFO - number of supporting files: 2
-2024-12-04 07:36:59,605 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 07:36:59,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 07:36:59,605 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 07:36:59,614 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,615 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 07:36:59,615 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 07:36:59,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 07:36:59,615 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 07:36:59,615 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 07:36:59,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,616 - INFO - number of orbitals:  119
-2024-12-04 07:36:59,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 07:36:59,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 07:36:59,617 - INFO - moving on ...
-2024-12-04 07:36:59,617 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 07:36:59,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 07:36:59,618 - INFO - attempting to process the Hamiltonian...
-2024-12-04 07:36:59,618 - INFO - number of supporting files: 2
-2024-12-04 07:36:59,618 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-04 07:36:59,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-04 07:36:59,618 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-04 07:36:59,626 - INFO - number of entries in Hamiltonian_features.csv:  148
-2024-12-04 07:36:59,627 - INFO - did NOT find instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 in database.
-2024-12-04 07:36:59,627 - INFO - Processing instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 ...
-2024-12-04 07:36:59,627 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz...
-2024-12-04 07:36:59,671 - INFO - Connected (version 2.0, client 0)
-2024-12-04 07:37:00,207 - INFO - Authentication (publickey) successful!
-2024-12-04 07:37:00,235 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 07:37:01,858 - INFO - [chan 0] sftp session closed.
-2024-12-04 07:37:01,859 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 07:37:01,859 - INFO - decompressing file fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz...
-2024-12-04 07:37:02,283 - INFO - this script has been running for 21.58 hours.
-2024-12-04 07:37:02,283 - INFO - ===============================================
-2024-12-04 07:37:02,283 - INFO - calculating Hamiltonian features...
-2024-12-04 07:37:02,283 - INFO - reading data from fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8
-2024-12-04 07:37:05,816 - INFO - finished reading FCIDUMP data.
-2024-12-04 07:37:05,816 - INFO - data['NORB']: 62
-2024-12-04 07:37:05,816 - INFO - len(data['H1']): 62
-2024-12-04 07:37:05,816 - INFO - ao2mo.restore...
-2024-12-04 07:37:05,857 - INFO - done.
-2024-12-04 07:37:05,857 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 07:37:05,857 - INFO - done.
-2024-12-04 07:37:05,858 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 07:59:37,347 - INFO - done.
-2024-12-04 07:59:37,347 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 08:01:00,533 - INFO - done.
-2024-12-04 08:01:00,533 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 08:01:09,928 - INFO - done.
-2024-12-04 08:01:09,929 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 08:01:13,387 - INFO - done.
-2024-12-04 08:01:13,387 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 08:01:13,388 - INFO - done.
-2024-12-04 08:01:13,388 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 08:01:13,388 - INFO - done.
-2024-12-04 08:01:14,197 - INFO - Hamiltonian features calculation run time (seconds): 1451.913724
-2024-12-04 08:01:14,197 - INFO - wrote df_eigs to file: df_eigs.0534fd24-c760-462e-b288-c3ea9fe721c8.bin
-2024-12-04 08:01:14,197 - INFO - deleting file fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-04 08:01:14,206 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 08:01:14,212 - INFO - this script has been running for 21.99 hours.
-2024-12-04 08:01:14,212 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-04 08:01:14,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-04 08:01:14,212 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,212 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 08:01:14,213 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 08:01:14,213 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 08:01:14,213 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,213 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 08:01:14,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,214 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,214 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,214 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-04 08:01:14,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-04 08:01:14,214 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-04 08:01:14,223 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,224 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,224 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-04 08:01:14,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-04 08:01:14,224 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,224 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 08:01:14,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,225 - INFO - number of orbitals:  88
-2024-12-04 08:01:14,225 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,225 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,225 - INFO - moving on ...
-2024-12-04 08:01:14,225 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 08:01:14,226 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 08:01:14,226 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 08:01:14,226 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,226 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 08:01:14,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,227 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,227 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,227 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 08:01:14,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 08:01:14,227 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 08:01:14,236 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,236 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,236 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 08:01:14,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 08:01:14,236 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,236 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 08:01:14,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,237 - INFO - number of orbitals:  115
-2024-12-04 08:01:14,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,237 - INFO - moving on ...
-2024-12-04 08:01:14,237 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 08:01:14,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,239 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,239 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,239 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-04 08:01:14,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-04 08:01:14,239 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-04 08:01:14,248 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,248 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,248 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-04 08:01:14,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-04 08:01:14,248 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,248 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 08:01:14,248 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 08:01:14,248 - INFO - problem_instance short name: benzene
-2024-12-04 08:01:14,249 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,249 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 08:01:14,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,250 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,251 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,251 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 08:01:14,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 08:01:14,251 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 08:01:14,259 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,260 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,260 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 08:01:14,260 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,260 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,260 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,262 - INFO - number of orbitals:  108
-2024-12-04 08:01:14,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,262 - INFO - moving on ...
-2024-12-04 08:01:14,262 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 08:01:14,262 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 08:01:14,262 - INFO - problem_instance short name: CuO_0
-2024-12-04 08:01:14,262 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,262 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 08:01:14,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,263 - INFO - number of orbitals:  76
-2024-12-04 08:01:14,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,264 - INFO - moving on ...
-2024-12-04 08:01:14,264 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 08:01:14,264 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 08:01:14,264 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 08:01:14,264 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,264 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 08:01:14,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,265 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,265 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,265 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-04 08:01:14,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-04 08:01:14,265 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-04 08:01:14,274 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,274 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,274 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-04 08:01:14,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-04 08:01:14,274 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,274 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 08:01:14,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,275 - INFO - number of orbitals:  106
-2024-12-04 08:01:14,276 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,276 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,276 - INFO - moving on ...
-2024-12-04 08:01:14,276 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 08:01:14,276 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 08:01:14,276 - INFO - problem_instance short name: be_0
-2024-12-04 08:01:14,276 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,276 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 08:01:14,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,277 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,277 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,277 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 08:01:14,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 08:01:14,277 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 08:01:14,286 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,286 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,286 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 08:01:14,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 08:01:14,286 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,286 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 08:01:14,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,287 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,287 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,287 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-04 08:01:14,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-04 08:01:14,288 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-04 08:01:14,297 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,298 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,298 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-04 08:01:14,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-04 08:01:14,298 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,298 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 08:01:14,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,299 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,299 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,299 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 08:01:14,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 08:01:14,299 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 08:01:14,308 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,308 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,308 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 08:01:14,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 08:01:14,308 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,308 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 08:01:14,308 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 08:01:14,308 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 08:01:14,308 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,308 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 08:01:14,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,310 - INFO - number of orbitals:  69
-2024-12-04 08:01:14,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,310 - INFO - moving on ...
-2024-12-04 08:01:14,310 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 08:01:14,310 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 08:01:14,310 - INFO - problem_instance short name: s_o2_0
-2024-12-04 08:01:14,310 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,310 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 08:01:14,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,311 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,311 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,311 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-04 08:01:14,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-04 08:01:14,312 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-04 08:01:14,320 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,320 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,320 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-04 08:01:14,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-04 08:01:14,320 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,320 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 08:01:14,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,321 - INFO - number of orbitals:  94
-2024-12-04 08:01:14,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,322 - INFO - moving on ...
-2024-12-04 08:01:14,322 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 08:01:14,322 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 08:01:14,322 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 08:01:14,322 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,322 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 08:01:14,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,323 - INFO - number of orbitals:  70
-2024-12-04 08:01:14,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,323 - INFO - moving on ...
-2024-12-04 08:01:14,323 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 08:01:14,323 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 08:01:14,323 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 08:01:14,323 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,323 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 08:01:14,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,324 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,324 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,324 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-04 08:01:14,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-04 08:01:14,325 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-04 08:01:14,333 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,333 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,333 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-04 08:01:14,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-04 08:01:14,333 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,333 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 08:01:14,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,335 - INFO - number of orbitals:  116
-2024-12-04 08:01:14,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,335 - INFO - moving on ...
-2024-12-04 08:01:14,335 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 08:01:14,335 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 08:01:14,335 - INFO - problem_instance short name: Fe_1
-2024-12-04 08:01:14,335 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,335 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 08:01:14,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,336 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,336 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,336 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-04 08:01:14,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-04 08:01:14,337 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-04 08:01:14,345 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,346 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,346 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-04 08:01:14,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-04 08:01:14,346 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,346 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 08:01:14,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,347 - INFO - number of orbitals:  88
-2024-12-04 08:01:14,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,347 - INFO - moving on ...
-2024-12-04 08:01:14,347 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 08:01:14,347 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 08:01:14,347 - INFO - problem_instance short name: p_h3_0
-2024-12-04 08:01:14,347 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,348 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 08:01:14,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,349 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,349 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,349 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 08:01:14,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 08:01:14,349 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 08:01:14,357 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,358 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,358 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 08:01:14,358 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 08:01:14,358 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,358 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 08:01:14,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,359 - INFO - number of orbitals:  76
-2024-12-04 08:01:14,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,359 - INFO - moving on ...
-2024-12-04 08:01:14,359 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 08:01:14,359 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 08:01:14,359 - INFO - problem_instance short name: li2_0
-2024-12-04 08:01:14,359 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,359 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 08:01:14,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,361 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,361 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,361 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 08:01:14,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 08:01:14,361 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 08:01:14,369 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,370 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,370 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 08:01:14,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 08:01:14,370 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,370 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 08:01:14,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,371 - INFO - number of orbitals:  110
-2024-12-04 08:01:14,371 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,371 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,371 - INFO - moving on ...
-2024-12-04 08:01:14,371 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 08:01:14,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,372 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,372 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,372 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-04 08:01:14,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-04 08:01:14,372 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-04 08:01:14,381 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,381 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,381 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-04 08:01:14,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-04 08:01:14,382 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,382 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 08:01:14,382 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 08:01:14,382 - INFO - problem_instance short name: n2_0
-2024-12-04 08:01:14,382 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,382 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 08:01:14,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,383 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,383 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,383 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 08:01:14,383 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 08:01:14,383 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 08:01:14,391 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,392 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,392 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 08:01:14,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 08:01:14,392 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,392 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 08:01:14,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,393 - INFO - number of orbitals:  110
-2024-12-04 08:01:14,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,393 - INFO - moving on ...
-2024-12-04 08:01:14,393 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 08:01:14,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,394 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,394 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,394 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-04 08:01:14,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-04 08:01:14,395 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-04 08:01:14,403 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,404 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,404 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-04 08:01:14,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-04 08:01:14,404 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,404 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 08:01:14,404 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 08:01:14,404 - INFO - problem_instance short name: Cr_0
-2024-12-04 08:01:14,404 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,404 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 08:01:14,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,406 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,406 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,406 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-04 08:01:14,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-04 08:01:14,406 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-04 08:01:14,416 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,416 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,416 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-04 08:01:14,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-04 08:01:14,417 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,417 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 08:01:14,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,418 - INFO - number of orbitals:  88
-2024-12-04 08:01:14,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,419 - INFO - moving on ...
-2024-12-04 08:01:14,419 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 08:01:14,419 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 08:01:14,419 - INFO - problem_instance short name: ScO_0
-2024-12-04 08:01:14,419 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,419 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 08:01:14,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,421 - INFO - number of orbitals:  76
-2024-12-04 08:01:14,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,421 - INFO - moving on ...
-2024-12-04 08:01:14,421 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 08:01:14,421 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 08:01:14,421 - INFO - problem_instance short name: O_1
-2024-12-04 08:01:14,421 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,421 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 08:01:14,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,423 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,423 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,423 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 08:01:14,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 08:01:14,423 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 08:01:14,434 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,434 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,434 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 08:01:14,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 08:01:14,434 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,434 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 08:01:14,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,436 - INFO - number of orbitals:  79
-2024-12-04 08:01:14,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,437 - INFO - moving on ...
-2024-12-04 08:01:14,437 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 08:01:14,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,438 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,439 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,439 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-04 08:01:14,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-04 08:01:14,439 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-04 08:01:14,451 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,451 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,451 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-04 08:01:14,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-04 08:01:14,452 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,452 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 08:01:14,452 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 08:01:14,452 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 08:01:14,452 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,452 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 08:01:14,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,454 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,454 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,454 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 08:01:14,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 08:01:14,454 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 08:01:14,463 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,464 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,464 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 08:01:14,464 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 08:01:14,464 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 08:01:14,464 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,464 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 08:01:14,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,465 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,465 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,465 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 08:01:14,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 08:01:14,465 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 08:01:14,473 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,473 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,473 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 08:01:14,474 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 08:01:14,474 - INFO - problem_instance short name: mo2_n2
-2024-12-04 08:01:14,474 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,474 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 08:01:14,474 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,474 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,474 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,476 - INFO - number of orbitals:  69
-2024-12-04 08:01:14,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,476 - INFO - moving on ...
-2024-12-04 08:01:14,476 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 08:01:14,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,476 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,476 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,477 - INFO - number of orbitals:  70
-2024-12-04 08:01:14,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,477 - INFO - moving on ...
-2024-12-04 08:01:14,478 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 08:01:14,478 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,478 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,478 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,479 - INFO - number of orbitals:  69
-2024-12-04 08:01:14,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,479 - INFO - moving on ...
-2024-12-04 08:01:14,479 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 08:01:14,479 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 08:01:14,479 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 08:01:14,479 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,479 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 08:01:14,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,480 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,480 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,480 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-04 08:01:14,480 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-04 08:01:14,481 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-04 08:01:14,488 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,489 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,489 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-04 08:01:14,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-04 08:01:14,489 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,489 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 08:01:14,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,490 - INFO - number of orbitals:  78
-2024-12-04 08:01:14,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,490 - INFO - moving on ...
-2024-12-04 08:01:14,490 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 08:01:14,490 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 08:01:14,490 - INFO - problem_instance short name: mo_n2
-2024-12-04 08:01:14,490 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,490 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 08:01:14,490 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,492 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,492 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,492 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 08:01:14,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 08:01:14,492 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 08:01:14,500 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,501 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,501 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 08:01:14,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,503 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,503 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,503 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-04 08:01:14,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-04 08:01:14,503 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-04 08:01:14,511 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,511 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,511 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 08:01:14,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,513 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,513 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,513 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-04 08:01:14,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-04 08:01:14,513 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-04 08:01:14,524 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,525 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,525 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 08:01:14,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,525 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,525 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,527 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,528 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,528 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 08:01:14,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 08:01:14,528 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 08:01:14,537 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,537 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,538 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 08:01:14,538 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 08:01:14,538 - INFO - problem_instance short name: na2_0
-2024-12-04 08:01:14,538 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,538 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 08:01:14,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,539 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,539 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,539 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-04 08:01:14,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-04 08:01:14,539 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-04 08:01:14,547 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,548 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,548 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-04 08:01:14,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-04 08:01:14,548 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,548 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 08:01:14,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,549 - INFO - number of orbitals:  118
-2024-12-04 08:01:14,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,549 - INFO - moving on ...
-2024-12-04 08:01:14,549 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 08:01:14,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,550 - INFO - number of orbitals:  68
-2024-12-04 08:01:14,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,550 - INFO - moving on ...
-2024-12-04 08:01:14,550 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 08:01:14,551 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 08:01:14,551 - INFO - problem_instance short name: VO_0
-2024-12-04 08:01:14,551 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,551 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 08:01:14,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,552 - INFO - number of orbitals:  76
-2024-12-04 08:01:14,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,552 - INFO - moving on ...
-2024-12-04 08:01:14,552 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 08:01:14,552 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 08:01:14,552 - INFO - problem_instance short name: V_0
-2024-12-04 08:01:14,552 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,552 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 08:01:14,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,554 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,554 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,554 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-04 08:01:14,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-04 08:01:14,554 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-04 08:01:14,562 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,563 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,563 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-04 08:01:14,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-04 08:01:14,563 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,563 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 08:01:14,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,564 - INFO - number of orbitals:  88
-2024-12-04 08:01:14,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,564 - INFO - moving on ...
-2024-12-04 08:01:14,564 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 08:01:14,564 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 08:01:14,564 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 08:01:14,564 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,564 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 08:01:14,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,565 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,565 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,565 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-04 08:01:14,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-04 08:01:14,566 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-04 08:01:14,574 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,574 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,574 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-04 08:01:14,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-04 08:01:14,574 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,574 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 08:01:14,574 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 08:01:14,574 - INFO - problem_instance short name: li_h_0
-2024-12-04 08:01:14,574 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,574 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 08:01:14,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,575 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,575 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,575 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 08:01:14,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 08:01:14,575 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 08:01:14,583 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,584 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,584 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 08:01:14,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 08:01:14,584 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,584 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 08:01:14,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,585 - INFO - number of orbitals:  85
-2024-12-04 08:01:14,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,585 - INFO - moving on ...
-2024-12-04 08:01:14,585 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 08:01:14,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,586 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,586 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,587 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-04 08:01:14,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-04 08:01:14,587 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-04 08:01:14,595 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,595 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,595 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-04 08:01:14,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-04 08:01:14,595 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,595 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 08:01:14,596 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 08:01:14,596 - INFO - problem_instance short name: ozone
-2024-12-04 08:01:14,596 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,596 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 08:01:14,596 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,596 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,596 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,597 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,598 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,598 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-04 08:01:14,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-04 08:01:14,598 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-04 08:01:14,606 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,606 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,606 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 08:01:14,606 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,606 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,606 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,608 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,608 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,608 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 08:01:14,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 08:01:14,608 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 08:01:14,616 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,616 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,616 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 08:01:14,616 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,618 - INFO - number of orbitals:  90
-2024-12-04 08:01:14,618 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,618 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,618 - INFO - moving on ...
-2024-12-04 08:01:14,618 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 08:01:14,618 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,618 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,618 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,620 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,620 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,620 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-04 08:01:14,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-04 08:01:14,620 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-04 08:01:14,628 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,629 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,629 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 08:01:14,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,631 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,631 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,631 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 08:01:14,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 08:01:14,631 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 08:01:14,639 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,639 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,639 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 08:01:14,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,641 - INFO - number of orbitals:  90
-2024-12-04 08:01:14,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,641 - INFO - moving on ...
-2024-12-04 08:01:14,642 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 08:01:14,642 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 08:01:14,642 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 08:01:14,642 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,642 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 08:01:14,642 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,642 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,642 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,644 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,644 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,644 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-04 08:01:14,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-04 08:01:14,644 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-04 08:01:14,653 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,653 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,653 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 08:01:14,653 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,653 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,653 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,655 - INFO - number of orbitals:  70
-2024-12-04 08:01:14,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,655 - INFO - moving on ...
-2024-12-04 08:01:14,655 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 08:01:14,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,657 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,657 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,657 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-04 08:01:14,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-04 08:01:14,657 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-04 08:01:14,665 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,665 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,666 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 08:01:14,666 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,666 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,666 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,667 - INFO - number of orbitals:  69
-2024-12-04 08:01:14,667 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,667 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,668 - INFO - moving on ...
-2024-12-04 08:01:14,668 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 08:01:14,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,668 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,668 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,669 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,669 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,669 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 08:01:14,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 08:01:14,669 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 08:01:14,678 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,678 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,678 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 08:01:14,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,678 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,680 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,680 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,680 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-04 08:01:14,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-04 08:01:14,680 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-04 08:01:14,688 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,689 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,689 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 08:01:14,689 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,689 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,689 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,690 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,690 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,690 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-04 08:01:14,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-04 08:01:14,691 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-04 08:01:14,699 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,699 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,699 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 08:01:14,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,701 - INFO - number of orbitals:  69
-2024-12-04 08:01:14,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,701 - INFO - moving on ...
-2024-12-04 08:01:14,701 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 08:01:14,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,703 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,703 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,703 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 08:01:14,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 08:01:14,703 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 08:01:14,711 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,712 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,712 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 08:01:14,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,713 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,714 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,714 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-04 08:01:14,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-04 08:01:14,714 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-04 08:01:14,722 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,722 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,722 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 08:01:14,722 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,722 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,722 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,724 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,724 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,724 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 08:01:14,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 08:01:14,724 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 08:01:14,732 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,733 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,733 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 08:01:14,733 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,735 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,735 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,735 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-04 08:01:14,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-04 08:01:14,735 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-04 08:01:14,743 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,743 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,743 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 08:01:14,743 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,743 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,743 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,745 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,745 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,745 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 08:01:14,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 08:01:14,745 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 08:01:14,753 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,754 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,754 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 08:01:14,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,756 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,756 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,756 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-04 08:01:14,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-04 08:01:14,756 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-04 08:01:14,764 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,764 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,764 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 08:01:14,764 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,764 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,764 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,766 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,766 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,766 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 08:01:14,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 08:01:14,766 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 08:01:14,774 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,775 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,775 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 08:01:14,775 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,777 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,777 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,777 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-04 08:01:14,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-04 08:01:14,777 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-04 08:01:14,785 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,785 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,785 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 08:01:14,785 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 08:01:14,785 - INFO - problem_instance short name: Cu_0
-2024-12-04 08:01:14,785 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,785 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 08:01:14,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,787 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,787 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,787 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-04 08:01:14,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-04 08:01:14,787 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-04 08:01:14,795 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,795 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,795 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-04 08:01:14,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-04 08:01:14,795 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,795 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 08:01:14,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,796 - INFO - number of orbitals:  88
-2024-12-04 08:01:14,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,797 - INFO - moving on ...
-2024-12-04 08:01:14,797 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 08:01:14,797 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 08:01:14,797 - INFO - problem_instance short name: CrO_0
-2024-12-04 08:01:14,797 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,797 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 08:01:14,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,798 - INFO - number of orbitals:  76
-2024-12-04 08:01:14,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,798 - INFO - moving on ...
-2024-12-04 08:01:14,798 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 08:01:14,798 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 08:01:14,798 - INFO - problem_instance short name: Cu_1
-2024-12-04 08:01:14,798 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,798 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 08:01:14,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,799 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,799 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,800 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-04 08:01:14,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-04 08:01:14,800 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-04 08:01:14,808 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,808 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,808 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-04 08:01:14,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-04 08:01:14,808 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,808 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 08:01:14,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,809 - INFO - number of orbitals:  88
-2024-12-04 08:01:14,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,809 - INFO - moving on ...
-2024-12-04 08:01:14,809 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 08:01:14,809 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 08:01:14,809 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 08:01:14,809 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,809 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 08:01:14,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,811 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,811 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,811 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-04 08:01:14,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-04 08:01:14,811 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-04 08:01:14,819 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,819 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,819 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-04 08:01:14,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-04 08:01:14,819 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,819 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 08:01:14,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,820 - INFO - number of orbitals:  88
-2024-12-04 08:01:14,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,821 - INFO - moving on ...
-2024-12-04 08:01:14,821 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 08:01:14,821 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 08:01:14,821 - INFO - problem_instance short name: li_f_0
-2024-12-04 08:01:14,821 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,821 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 08:01:14,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,822 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,822 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,822 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 08:01:14,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 08:01:14,822 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 08:01:14,830 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,831 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,831 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 08:01:14,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 08:01:14,831 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,831 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 08:01:14,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,832 - INFO - number of orbitals:  110
-2024-12-04 08:01:14,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,832 - INFO - moving on ...
-2024-12-04 08:01:14,832 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 08:01:14,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,833 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,833 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,833 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-04 08:01:14,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-04 08:01:14,833 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-04 08:01:14,842 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,842 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,842 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-04 08:01:14,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-04 08:01:14,842 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,842 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 08:01:14,842 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 08:01:14,842 - INFO - problem_instance short name: cr_dimer
-2024-12-04 08:01:14,842 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,843 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 08:01:14,843 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,843 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,843 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,844 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,844 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,844 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 08:01:14,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 08:01:14,844 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 08:01:14,852 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,853 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,853 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 08:01:14,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,854 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,854 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,854 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 08:01:14,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 08:01:14,855 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 08:01:14,863 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,863 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,863 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 08:01:14,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,865 - INFO - number of orbitals:  68
-2024-12-04 08:01:14,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,866 - INFO - moving on ...
-2024-12-04 08:01:14,866 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 08:01:14,866 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,866 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,866 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,867 - INFO - number of orbitals:  76
-2024-12-04 08:01:14,867 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,867 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,868 - INFO - moving on ...
-2024-12-04 08:01:14,868 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 08:01:14,868 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,868 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,868 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,869 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,869 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,869 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 08:01:14,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 08:01:14,869 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 08:01:14,878 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,878 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,878 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 08:01:14,878 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,878 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,878 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,880 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,880 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,880 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 08:01:14,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 08:01:14,880 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 08:01:14,888 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,888 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,888 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 08:01:14,888 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,890 - INFO - number of orbitals:  68
-2024-12-04 08:01:14,890 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,890 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,890 - INFO - moving on ...
-2024-12-04 08:01:14,890 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 08:01:14,890 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,890 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,890 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,892 - INFO - number of orbitals:  76
-2024-12-04 08:01:14,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,892 - INFO - moving on ...
-2024-12-04 08:01:14,892 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 08:01:14,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,894 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,894 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,894 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 08:01:14,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 08:01:14,894 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 08:01:14,902 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,902 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,902 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 08:01:14,902 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,904 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,904 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,904 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 08:01:14,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 08:01:14,904 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 08:01:14,911 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,912 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,912 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 08:01:14,912 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,912 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,912 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,913 - INFO - number of orbitals:  68
-2024-12-04 08:01:14,914 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,914 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,914 - INFO - moving on ...
-2024-12-04 08:01:14,914 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 08:01:14,914 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,914 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,914 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,915 - INFO - number of orbitals:  76
-2024-12-04 08:01:14,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,915 - INFO - moving on ...
-2024-12-04 08:01:14,915 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 08:01:14,915 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 08:01:14,915 - INFO - problem_instance short name: V_1
-2024-12-04 08:01:14,915 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,916 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 08:01:14,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,917 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,917 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,917 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-04 08:01:14,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-04 08:01:14,917 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-04 08:01:14,924 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,925 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,925 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-04 08:01:14,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-04 08:01:14,925 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,925 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 08:01:14,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,926 - INFO - number of orbitals:  88
-2024-12-04 08:01:14,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,926 - INFO - moving on ...
-2024-12-04 08:01:14,926 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 08:01:14,926 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 08:01:14,926 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 08:01:14,926 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,926 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 08:01:14,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,927 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,929 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,929 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-04 08:01:14,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-04 08:01:14,929 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-04 08:01:14,937 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,938 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,938 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-04 08:01:14,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-04 08:01:14,938 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,938 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 08:01:14,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,939 - INFO - number of orbitals:  88
-2024-12-04 08:01:14,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,939 - INFO - moving on ...
-2024-12-04 08:01:14,939 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 08:01:14,939 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 08:01:14,939 - INFO - problem_instance short name: si_h4_0
-2024-12-04 08:01:14,939 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,939 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 08:01:14,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,940 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,940 - INFO - number of supporting files: 2
-2024-12-04 08:01:14,941 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-04 08:01:14,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-04 08:01:14,941 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-04 08:01:14,949 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,949 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,949 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-04 08:01:14,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-04 08:01:14,949 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:14,949 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 08:01:14,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,950 - INFO - number of orbitals:  90
-2024-12-04 08:01:14,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:14,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:14,950 - INFO - moving on ...
-2024-12-04 08:01:14,950 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 08:01:14,951 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 08:01:14,951 - INFO - problem_instance short name: ru_mono
-2024-12-04 08:01:14,951 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 08:01:14,951 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 08:01:14,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,952 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,952 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,952 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 08:01:14,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 08:01:14,952 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 08:01:14,961 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,961 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,961 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 08:01:14,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,961 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,961 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,963 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,963 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,963 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 08:01:14,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 08:01:14,963 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 08:01:14,970 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,970 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,970 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 08:01:14,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,972 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,972 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,972 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 08:01:14,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 08:01:14,972 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 08:01:14,979 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,980 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,980 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 08:01:14,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,980 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,981 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,981 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,981 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-04 08:01:14,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-04 08:01:14,982 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-04 08:01:14,990 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:14,990 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-04 08:01:14,990 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 08:01:14,990 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:14,990 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:14,990 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:14,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:14,992 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:14,992 - INFO - number of supporting files: 1
-2024-12-04 08:01:14,992 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 08:01:14,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 08:01:14,992 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 08:01:15,000 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:15,000 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 08:01:15,000 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 08:01:15,000 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 08:01:15,000 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 08:01:15,000 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 08:01:15,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:15,002 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:15,002 - INFO - number of supporting files: 1
-2024-12-04 08:01:15,002 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 08:01:15,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 08:01:15,002 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 08:01:15,010 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:15,010 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 08:01:15,010 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 08:01:15,010 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 08:01:15,010 - INFO - problem_instance short name: h2_o_0
-2024-12-04 08:01:15,010 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 08:01:15,010 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 08:01:15,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:15,012 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:15,012 - INFO - number of supporting files: 2
-2024-12-04 08:01:15,012 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 08:01:15,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 08:01:15,012 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 08:01:15,019 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:15,020 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 08:01:15,020 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 08:01:15,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 08:01:15,020 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:15,020 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 08:01:15,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:15,021 - INFO - number of orbitals:  115
-2024-12-04 08:01:15,021 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 08:01:15,021 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 08:01:15,021 - INFO - moving on ...
-2024-12-04 08:01:15,021 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 08:01:15,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:15,022 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:15,022 - INFO - number of supporting files: 2
-2024-12-04 08:01:15,022 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-04 08:01:15,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-04 08:01:15,022 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-04 08:01:15,030 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:15,030 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-04 08:01:15,030 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-04 08:01:15,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-04 08:01:15,030 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:15,030 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 08:01:15,030 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 08:01:15,031 - INFO - problem_instance short name: c_s_0
-2024-12-04 08:01:15,031 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 08:01:15,031 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 08:01:15,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:15,032 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:15,032 - INFO - number of supporting files: 2
-2024-12-04 08:01:15,032 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 08:01:15,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 08:01:15,032 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 08:01:15,040 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:15,040 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 08:01:15,040 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 08:01:15,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 08:01:15,040 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 08:01:15,040 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 08:01:15,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 08:01:15,041 - INFO - attempting to process the Hamiltonian...
-2024-12-04 08:01:15,041 - INFO - number of supporting files: 2
-2024-12-04 08:01:15,041 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-04 08:01:15,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-04 08:01:15,041 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-04 08:01:15,049 - INFO - number of entries in Hamiltonian_features.csv:  149
-2024-12-04 08:01:15,049 - INFO - did NOT find instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e in database.
-2024-12-04 08:01:15,049 - INFO - Processing instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e ...
-2024-12-04 08:01:15,049 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz...
-2024-12-04 08:01:15,092 - INFO - Connected (version 2.0, client 0)
-2024-12-04 08:01:15,730 - INFO - Authentication (publickey) successful!
-2024-12-04 08:01:15,745 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 08:01:24,782 - INFO - [chan 0] sftp session closed.
-2024-12-04 08:01:24,783 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 08:01:24,783 - INFO - decompressing file fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz...
-2024-12-04 08:01:26,069 - INFO - this script has been running for 21.99 hours.
-2024-12-04 08:01:26,069 - INFO - ===============================================
-2024-12-04 08:01:26,069 - INFO - calculating Hamiltonian features...
-2024-12-04 08:01:26,069 - INFO - reading data from fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e
-2024-12-04 08:01:39,227 - INFO - finished reading FCIDUMP data.
-2024-12-04 08:01:39,228 - INFO - data['NORB']: 64
-2024-12-04 08:01:39,228 - INFO - len(data['H1']): 64
-2024-12-04 08:01:39,228 - INFO - ao2mo.restore...
-2024-12-04 08:01:39,299 - INFO - done.
-2024-12-04 08:01:39,299 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 08:01:39,299 - INFO - done.
-2024-12-04 08:01:39,299 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 09:05:22,656 - INFO - done.
-2024-12-04 09:05:22,656 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 09:09:56,915 - INFO - done.
-2024-12-04 09:09:56,915 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 09:10:29,568 - INFO - done.
-2024-12-04 09:10:29,568 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 09:10:34,628 - INFO - done.
-2024-12-04 09:10:34,628 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 09:10:34,628 - INFO - done.
-2024-12-04 09:10:34,630 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 09:10:34,631 - INFO - done.
-2024-12-04 09:10:37,191 - INFO - Hamiltonian features calculation run time (seconds): 4151.121906
-2024-12-04 09:10:37,191 - INFO - wrote df_eigs to file: df_eigs.f895f408-4aa7-47e2-a903-c26b963b399e.bin
-2024-12-04 09:10:37,191 - INFO - deleting file fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-04 09:10:37,215 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 09:10:37,220 - INFO - this script has been running for 23.14 hours.
-2024-12-04 09:10:37,220 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-04 09:10:37,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-04 09:10:37,220 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:10:37,221 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 09:10:37,221 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 09:10:37,221 - INFO - problem_instance short name: MnO_0
-2024-12-04 09:10:37,221 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 09:10:37,221 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 09:10:37,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,222 - INFO - number of orbitals:  76
-2024-12-04 09:10:37,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 09:10:37,222 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 09:10:37,222 - INFO - moving on ...
-2024-12-04 09:10:37,222 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 09:10:37,222 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 09:10:37,222 - INFO - problem_instance short name: fe_red
-2024-12-04 09:10:37,222 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 09:10:37,222 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 09:10:37,222 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 09:10:37,223 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 09:10:37,223 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 09:10:37,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,224 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,224 - INFO - number of supporting files: 1
-2024-12-04 09:10:37,224 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-04 09:10:37,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-04 09:10:37,224 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-04 09:10:37,232 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,233 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,233 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 09:10:37,233 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 09:10:37,233 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 09:10:37,233 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 09:10:37,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,234 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,234 - INFO - number of supporting files: 1
-2024-12-04 09:10:37,235 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-04 09:10:37,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-04 09:10:37,235 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-04 09:10:37,242 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,243 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,243 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 09:10:37,243 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 09:10:37,243 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 09:10:37,243 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 09:10:37,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,245 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,245 - INFO - number of supporting files: 1
-2024-12-04 09:10:37,245 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-04 09:10:37,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-04 09:10:37,245 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-04 09:10:37,252 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,253 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,253 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 09:10:37,253 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 09:10:37,253 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 09:10:37,253 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 09:10:37,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,254 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,255 - INFO - number of supporting files: 1
-2024-12-04 09:10:37,255 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-04 09:10:37,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-04 09:10:37,255 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-04 09:10:37,262 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,263 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,263 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 09:10:37,263 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 09:10:37,263 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 09:10:37,263 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 09:10:37,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,265 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,265 - INFO - number of supporting files: 1
-2024-12-04 09:10:37,265 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-04 09:10:37,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-04 09:10:37,265 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-04 09:10:37,273 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,273 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,273 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 09:10:37,274 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 09:10:37,274 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 09:10:37,274 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 09:10:37,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,275 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,275 - INFO - number of supporting files: 1
-2024-12-04 09:10:37,275 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-04 09:10:37,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-04 09:10:37,275 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-04 09:10:37,284 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,284 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,284 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 09:10:37,284 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 09:10:37,284 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 09:10:37,284 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 09:10:37,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,286 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,286 - INFO - number of supporting files: 1
-2024-12-04 09:10:37,286 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-04 09:10:37,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-04 09:10:37,286 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-04 09:10:37,294 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,295 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,295 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 09:10:37,295 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 09:10:37,295 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 09:10:37,295 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 09:10:37,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,296 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,296 - INFO - number of supporting files: 1
-2024-12-04 09:10:37,296 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-04 09:10:37,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-04 09:10:37,297 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-04 09:10:37,304 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,305 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,305 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 09:10:37,305 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 09:10:37,305 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 09:10:37,305 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 09:10:37,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,307 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,307 - INFO - number of supporting files: 1
-2024-12-04 09:10:37,307 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-04 09:10:37,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-04 09:10:37,307 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-04 09:10:37,315 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,315 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,316 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 09:10:37,316 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 09:10:37,316 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 09:10:37,316 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 09:10:37,316 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 09:10:37,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,317 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,317 - INFO - number of supporting files: 2
-2024-12-04 09:10:37,317 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 09:10:37,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 09:10:37,317 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 09:10:37,325 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,325 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,325 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 09:10:37,325 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 09:10:37,326 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:10:37,326 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 09:10:37,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,327 - INFO - number of orbitals:  119
-2024-12-04 09:10:37,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 09:10:37,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 09:10:37,327 - INFO - moving on ...
-2024-12-04 09:10:37,327 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 09:10:37,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,328 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,328 - INFO - number of supporting files: 2
-2024-12-04 09:10:37,328 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-04 09:10:37,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-04 09:10:37,328 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-04 09:10:37,335 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,336 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,336 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-04 09:10:37,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-04 09:10:37,336 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:10:37,336 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 09:10:37,336 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 09:10:37,336 - INFO - problem_instance short name: p_h3_0
-2024-12-04 09:10:37,336 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 09:10:37,336 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 09:10:37,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,337 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,337 - INFO - number of supporting files: 2
-2024-12-04 09:10:37,337 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 09:10:37,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 09:10:37,337 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 09:10:37,346 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,346 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,346 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 09:10:37,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 09:10:37,346 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:10:37,346 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 09:10:37,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,347 - INFO - number of orbitals:  76
-2024-12-04 09:10:37,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 09:10:37,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 09:10:37,347 - INFO - moving on ...
-2024-12-04 09:10:37,347 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 09:10:37,347 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 09:10:37,348 - INFO - problem_instance short name: na_cl_0
-2024-12-04 09:10:37,348 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 09:10:37,348 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 09:10:37,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,349 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,349 - INFO - number of supporting files: 2
-2024-12-04 09:10:37,349 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 09:10:37,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 09:10:37,349 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 09:10:37,357 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,358 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 09:10:37,358 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 09:10:37,358 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 09:10:37,358 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:10:37,358 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 09:10:37,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,359 - INFO - number of orbitals:  118
-2024-12-04 09:10:37,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 09:10:37,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 09:10:37,359 - INFO - moving on ...
-2024-12-04 09:10:37,359 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 09:10:37,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:10:37,360 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:10:37,360 - INFO - number of supporting files: 2
-2024-12-04 09:10:37,360 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-04 09:10:37,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-04 09:10:37,360 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-04 09:10:37,368 - INFO - number of entries in Hamiltonian_features.csv:  150
-2024-12-04 09:10:37,369 - INFO - did NOT find instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d in database.
-2024-12-04 09:10:37,369 - INFO - Processing instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d ...
-2024-12-04 09:10:37,369 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz...
-2024-12-04 09:10:37,412 - INFO - Connected (version 2.0, client 0)
-2024-12-04 09:10:37,912 - INFO - Authentication (publickey) successful!
-2024-12-04 09:10:37,927 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 09:10:44,593 - INFO - [chan 0] sftp session closed.
-2024-12-04 09:10:44,593 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 09:10:44,593 - INFO - decompressing file fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz...
-2024-12-04 09:10:45,250 - INFO - this script has been running for 23.15 hours.
-2024-12-04 09:10:45,250 - INFO - ===============================================
-2024-12-04 09:10:45,250 - INFO - calculating Hamiltonian features...
-2024-12-04 09:10:45,250 - INFO - reading data from fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d
-2024-12-04 09:10:50,682 - INFO - finished reading FCIDUMP data.
-2024-12-04 09:10:50,682 - INFO - data['NORB']: 68
-2024-12-04 09:10:50,682 - INFO - len(data['H1']): 68
-2024-12-04 09:10:50,682 - INFO - ao2mo.restore...
-2024-12-04 09:10:50,748 - INFO - done.
-2024-12-04 09:10:50,748 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 09:10:50,749 - INFO - done.
-2024-12-04 09:10:50,749 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 09:48:23,569 - INFO - done.
-2024-12-04 09:48:23,569 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 09:51:33,902 - INFO - done.
-2024-12-04 09:51:33,902 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 09:51:54,292 - INFO - done.
-2024-12-04 09:51:54,292 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 09:52:00,336 - INFO - done.
-2024-12-04 09:52:00,336 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 09:52:00,336 - INFO - done.
-2024-12-04 09:52:00,337 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 09:52:00,337 - INFO - done.
-2024-12-04 09:52:02,139 - INFO - Hamiltonian features calculation run time (seconds): 2476.888159
-2024-12-04 09:52:02,139 - INFO - wrote df_eigs to file: df_eigs.444f3f27-904b-463f-b2f2-c92686c9637d.bin
-2024-12-04 09:52:02,139 - INFO - deleting file fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-04 09:52:02,155 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 09:52:02,161 - INFO - this script has been running for 23.83 hours.
-2024-12-04 09:52:02,162 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-04 09:52:02,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-04 09:52:02,162 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:52:02,162 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 09:52:02,162 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 09:52:02,162 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 09:52:02,162 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 09:52:02,162 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 09:52:02,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,163 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:52:02,164 - INFO - number of supporting files: 2
-2024-12-04 09:52:02,164 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 09:52:02,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 09:52:02,164 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 09:52:02,173 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 09:52:02,174 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 09:52:02,174 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 09:52:02,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 09:52:02,174 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:52:02,174 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 09:52:02,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,175 - INFO - number of orbitals:  115
-2024-12-04 09:52:02,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 09:52:02,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 09:52:02,175 - INFO - moving on ...
-2024-12-04 09:52:02,175 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 09:52:02,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,176 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:52:02,176 - INFO - number of supporting files: 2
-2024-12-04 09:52:02,176 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-04 09:52:02,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-04 09:52:02,177 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-04 09:52:02,186 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 09:52:02,186 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-04 09:52:02,186 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-04 09:52:02,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-04 09:52:02,187 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:52:02,187 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 09:52:02,187 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 09:52:02,187 - INFO - problem_instance short name: ScO_0
-2024-12-04 09:52:02,187 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 09:52:02,187 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 09:52:02,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,188 - INFO - number of orbitals:  76
-2024-12-04 09:52:02,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 09:52:02,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 09:52:02,188 - INFO - moving on ...
-2024-12-04 09:52:02,188 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 09:52:02,189 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 09:52:02,189 - INFO - problem_instance short name: c_o2_0
-2024-12-04 09:52:02,189 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 09:52:02,189 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 09:52:02,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,190 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:52:02,190 - INFO - number of supporting files: 2
-2024-12-04 09:52:02,190 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-04 09:52:02,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-04 09:52:02,190 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-04 09:52:02,199 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 09:52:02,199 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-04 09:52:02,199 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-04 09:52:02,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-04 09:52:02,199 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:52:02,199 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 09:52:02,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,201 - INFO - number of orbitals:  90
-2024-12-04 09:52:02,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 09:52:02,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 09:52:02,201 - INFO - moving on ...
-2024-12-04 09:52:02,201 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 09:52:02,201 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 09:52:02,201 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 09:52:02,201 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 09:52:02,201 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 09:52:02,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,202 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:52:02,202 - INFO - number of supporting files: 1
-2024-12-04 09:52:02,202 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 09:52:02,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 09:52:02,202 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 09:52:02,211 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 09:52:02,212 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 09:52:02,212 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 09:52:02,212 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 09:52:02,212 - INFO - problem_instance short name: cl2_0
-2024-12-04 09:52:02,212 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 09:52:02,212 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 09:52:02,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,213 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:52:02,213 - INFO - number of supporting files: 2
-2024-12-04 09:52:02,214 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 09:52:02,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 09:52:02,214 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 09:52:02,223 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 09:52:02,223 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 09:52:02,223 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 09:52:02,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 09:52:02,223 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 09:52:02,224 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 09:52:02,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,225 - INFO - number of orbitals:  118
-2024-12-04 09:52:02,225 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 09:52:02,225 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 09:52:02,225 - INFO - moving on ...
-2024-12-04 09:52:02,225 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 09:52:02,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 09:52:02,226 - INFO - attempting to process the Hamiltonian...
-2024-12-04 09:52:02,226 - INFO - number of supporting files: 2
-2024-12-04 09:52:02,226 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-04 09:52:02,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-04 09:52:02,227 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-04 09:52:02,237 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 09:52:02,237 - INFO - did NOT find instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a in database.
-2024-12-04 09:52:02,237 - INFO - Processing instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a ...
-2024-12-04 09:52:02,237 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz...
-2024-12-04 09:52:02,284 - INFO - Connected (version 2.0, client 0)
-2024-12-04 09:52:02,987 - INFO - Authentication (publickey) successful!
-2024-12-04 09:52:03,013 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 09:52:10,438 - INFO - [chan 0] sftp session closed.
-2024-12-04 09:52:10,438 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 09:52:10,438 - INFO - decompressing file fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz...
-2024-12-04 09:52:11,237 - INFO - this script has been running for 23.84 hours.
-2024-12-04 09:52:11,237 - INFO - ===============================================
-2024-12-04 09:52:11,237 - INFO - calculating Hamiltonian features...
-2024-12-04 09:52:11,238 - INFO - reading data from fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a
-2024-12-04 09:52:17,775 - INFO - finished reading FCIDUMP data.
-2024-12-04 09:52:17,775 - INFO - data['NORB']: 68
-2024-12-04 09:52:17,775 - INFO - len(data['H1']): 68
-2024-12-04 09:52:17,776 - INFO - ao2mo.restore...
-2024-12-04 09:52:17,838 - INFO - done.
-2024-12-04 09:52:17,838 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 09:52:17,838 - INFO - done.
-2024-12-04 09:52:17,838 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 10:06:28,161 - INFO - ===============================================
-2024-12-04 10:06:28,165 - INFO - overall start time: 2024-12-04 10:06:28.161794
-2024-12-04 10:06:28,166 - INFO - input directory: ../problem_instances/
-2024-12-04 10:06:28,166 - INFO - Hamiltonian features file: Hamiltonian_features.csv
-2024-12-04 10:06:28,166 - INFO - creating back up file Hamiltonian_features.csv.backup-2024-12-04-10-06.csv.
-2024-12-04 10:06:28,168 - INFO - parsing 82 files in the input directory
-2024-12-04 10:06:28,168 - INFO - file: problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:28,169 - INFO - file: problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:28,170 - INFO - file: problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:28,171 - INFO - file: problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:28,171 - INFO - file: problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:28,171 - INFO - file: problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:28,171 - INFO - file: problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:28,171 - INFO - file: problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:28,171 - INFO - file: problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:28,171 - INFO - file: problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:28,171 - INFO - file: problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:28,171 - INFO - file: problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:28,184 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:28,185 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:28,185 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:28,185 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,185 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:28,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,191 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,191 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,191 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,191 - INFO - moving on ...
-2024-12-04 10:06:28,191 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:28,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,193 - INFO - number of orbitals:  135
-2024-12-04 10:06:28,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,193 - INFO - moving on ...
-2024-12-04 10:06:28,193 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:28,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,195 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,195 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,195 - INFO - moving on ...
-2024-12-04 10:06:28,195 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:28,196 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:28,196 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:28,196 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,196 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:28,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,197 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,197 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,197 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,197 - INFO - moving on ...
-2024-12-04 10:06:28,197 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:28,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,198 - INFO - number of orbitals:  135
-2024-12-04 10:06:28,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,198 - INFO - moving on ...
-2024-12-04 10:06:28,198 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:28,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,200 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,200 - INFO - moving on ...
-2024-12-04 10:06:28,200 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:28,204 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:28,204 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:28,204 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,204 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:28,204 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,205 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,211 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,211 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,211 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:28,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:28,212 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:28,230 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,230 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,231 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:28,231 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,231 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,231 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,234 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,234 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,234 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:28,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:28,234 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:28,248 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,249 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,249 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:28,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,252 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,252 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,252 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:28,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:28,252 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:28,266 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,266 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,267 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:28,267 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,267 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,267 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,270 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,270 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,270 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:28,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:28,270 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:28,284 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,285 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,285 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:28,285 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,285 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,285 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,288 - INFO - number of orbitals:  33
-2024-12-04 10:06:28,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,288 - INFO - moving on ...
-2024-12-04 10:06:28,288 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:28,288 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,288 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,288 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,290 - INFO - number of orbitals:  23
-2024-12-04 10:06:28,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,291 - INFO - moving on ...
-2024-12-04 10:06:28,291 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:28,291 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,291 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,291 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,293 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,293 - INFO - moving on ...
-2024-12-04 10:06:28,293 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:28,293 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,293 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,293 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,295 - INFO - number of orbitals:  21
-2024-12-04 10:06:28,296 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,296 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,296 - INFO - moving on ...
-2024-12-04 10:06:28,296 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:28,296 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,296 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,296 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,298 - INFO - number of orbitals:  42
-2024-12-04 10:06:28,298 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,298 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,298 - INFO - moving on ...
-2024-12-04 10:06:28,298 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:28,300 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:28,300 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:28,300 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,300 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:28,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,302 - INFO - number of orbitals:  69
-2024-12-04 10:06:28,302 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,302 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,302 - INFO - moving on ...
-2024-12-04 10:06:28,302 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:28,303 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:28,303 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:28,303 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,303 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:28,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,305 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,305 - INFO - moving on ...
-2024-12-04 10:06:28,305 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:28,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,307 - INFO - number of orbitals:  119
-2024-12-04 10:06:28,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,307 - INFO - moving on ...
-2024-12-04 10:06:28,307 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:28,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,309 - INFO - number of orbitals:  62
-2024-12-04 10:06:28,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,309 - INFO - moving on ...
-2024-12-04 10:06:28,309 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:28,310 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:28,310 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:28,310 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,310 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:28,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,312 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,312 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,312 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,312 - INFO - moving on ...
-2024-12-04 10:06:28,312 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:28,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,314 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,314 - INFO - moving on ...
-2024-12-04 10:06:28,314 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:28,315 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:28,315 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:28,315 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,315 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:28,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,317 - INFO - number of orbitals:  19
-2024-12-04 10:06:28,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,317 - INFO - moving on ...
-2024-12-04 10:06:28,317 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:28,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,319 - INFO - number of orbitals:  85
-2024-12-04 10:06:28,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,319 - INFO - moving on ...
-2024-12-04 10:06:28,319 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:28,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,320 - INFO - number of orbitals:  44
-2024-12-04 10:06:28,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,321 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,321 - INFO - moving on ...
-2024-12-04 10:06:28,321 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:28,325 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:28,325 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:28,325 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,325 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:28,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,327 - INFO - number of orbitals:  66
-2024-12-04 10:06:28,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,327 - INFO - moving on ...
-2024-12-04 10:06:28,327 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:28,328 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:28,328 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:28,328 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,328 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:28,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,330 - INFO - number of orbitals:  23
-2024-12-04 10:06:28,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,330 - INFO - moving on ...
-2024-12-04 10:06:28,330 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:28,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,332 - INFO - number of orbitals:  89
-2024-12-04 10:06:28,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,332 - INFO - moving on ...
-2024-12-04 10:06:28,333 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:28,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,334 - INFO - number of orbitals:  48
-2024-12-04 10:06:28,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,335 - INFO - moving on ...
-2024-12-04 10:06:28,335 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:28,336 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:28,336 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:28,336 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,336 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:28,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,338 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,338 - INFO - moving on ...
-2024-12-04 10:06:28,338 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:28,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,340 - INFO - number of orbitals:  110
-2024-12-04 10:06:28,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,340 - INFO - moving on ...
-2024-12-04 10:06:28,340 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:28,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,341 - INFO - number of orbitals:  60
-2024-12-04 10:06:28,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,342 - INFO - moving on ...
-2024-12-04 10:06:28,342 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:28,343 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:28,343 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:28,343 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,343 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:28,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,345 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,345 - INFO - moving on ...
-2024-12-04 10:06:28,345 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:28,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,347 - INFO - number of orbitals:  119
-2024-12-04 10:06:28,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,347 - INFO - moving on ...
-2024-12-04 10:06:28,347 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:28,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,348 - INFO - number of orbitals:  62
-2024-12-04 10:06:28,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,349 - INFO - moving on ...
-2024-12-04 10:06:28,349 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:28,350 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:28,350 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:28,350 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,350 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:28,350 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,350 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,350 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,353 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,353 - INFO - moving on ...
-2024-12-04 10:06:28,353 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:28,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,356 - INFO - number of orbitals:  53
-2024-12-04 10:06:28,356 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,356 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,356 - INFO - moving on ...
-2024-12-04 10:06:28,356 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:28,356 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,356 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,356 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,358 - INFO - number of orbitals:  58
-2024-12-04 10:06:28,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,359 - INFO - moving on ...
-2024-12-04 10:06:28,359 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:28,359 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,359 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,359 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,361 - INFO - number of orbitals:  44
-2024-12-04 10:06:28,361 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,361 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,361 - INFO - moving on ...
-2024-12-04 10:06:28,361 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:28,362 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,362 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,362 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,364 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,364 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,364 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,364 - INFO - moving on ...
-2024-12-04 10:06:28,364 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:28,364 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,365 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,365 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,367 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,367 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,367 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,367 - INFO - moving on ...
-2024-12-04 10:06:28,367 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:28,367 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,367 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,367 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,368 - INFO - number of orbitals:  44
-2024-12-04 10:06:28,368 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,368 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,368 - INFO - moving on ...
-2024-12-04 10:06:28,369 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:28,369 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,369 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,369 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,370 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,370 - INFO - moving on ...
-2024-12-04 10:06:28,370 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:28,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,372 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,372 - INFO - moving on ...
-2024-12-04 10:06:28,372 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:28,373 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:28,373 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:28,373 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,373 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:28,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,375 - INFO - number of orbitals:  37
-2024-12-04 10:06:28,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,375 - INFO - moving on ...
-2024-12-04 10:06:28,375 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:28,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,376 - INFO - number of orbitals:  78
-2024-12-04 10:06:28,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,376 - INFO - moving on ...
-2024-12-04 10:06:28,376 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:28,377 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:28,377 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:28,377 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,377 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:28,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,378 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,378 - INFO - moving on ...
-2024-12-04 10:06:28,378 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:28,379 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:28,379 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:28,379 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,379 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:28,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,380 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,380 - INFO - moving on ...
-2024-12-04 10:06:28,380 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:28,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,381 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,382 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,382 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,382 - INFO - moving on ...
-2024-12-04 10:06:28,382 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:28,383 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:28,383 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:28,383 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,383 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:28,383 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,383 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,383 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,384 - INFO - number of orbitals:  42
-2024-12-04 10:06:28,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,384 - INFO - moving on ...
-2024-12-04 10:06:28,385 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:28,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,385 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,385 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,386 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,386 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,386 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:28,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:28,386 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:28,396 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,396 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,396 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:28,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,398 - INFO - number of orbitals:  90
-2024-12-04 10:06:28,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,398 - INFO - moving on ...
-2024-12-04 10:06:28,398 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:28,398 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,398 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,399 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,400 - INFO - number of orbitals:  42
-2024-12-04 10:06:28,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,400 - INFO - moving on ...
-2024-12-04 10:06:28,400 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:28,400 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,400 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,400 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,402 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,402 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,402 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:28,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:28,402 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:28,412 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,412 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,412 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:28,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,414 - INFO - number of orbitals:  90
-2024-12-04 10:06:28,414 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,414 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,414 - INFO - moving on ...
-2024-12-04 10:06:28,414 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:28,415 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:28,415 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:28,415 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,415 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:28,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,416 - INFO - number of orbitals:  52
-2024-12-04 10:06:28,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,416 - INFO - moving on ...
-2024-12-04 10:06:28,417 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:28,418 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:28,418 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:28,418 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,418 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:28,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,419 - INFO - number of orbitals:  24
-2024-12-04 10:06:28,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,419 - INFO - moving on ...
-2024-12-04 10:06:28,419 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:28,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,420 - INFO - number of orbitals:  115
-2024-12-04 10:06:28,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,420 - INFO - moving on ...
-2024-12-04 10:06:28,420 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:28,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,422 - INFO - number of orbitals:  58
-2024-12-04 10:06:28,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,422 - INFO - moving on ...
-2024-12-04 10:06:28,422 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:28,423 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:28,423 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:28,423 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,423 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:28,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,424 - INFO - number of orbitals:  33
-2024-12-04 10:06:28,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,424 - INFO - moving on ...
-2024-12-04 10:06:28,424 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:28,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,425 - INFO - number of orbitals:  74
-2024-12-04 10:06:28,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,425 - INFO - moving on ...
-2024-12-04 10:06:28,425 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:28,426 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:28,426 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:28,426 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,426 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:28,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,427 - INFO - number of orbitals:  36
-2024-12-04 10:06:28,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,427 - INFO - moving on ...
-2024-12-04 10:06:28,427 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:28,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,428 - INFO - number of orbitals:  118
-2024-12-04 10:06:28,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,429 - INFO - moving on ...
-2024-12-04 10:06:28,429 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:28,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,430 - INFO - number of orbitals:  68
-2024-12-04 10:06:28,430 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,430 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,430 - INFO - moving on ...
-2024-12-04 10:06:28,430 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:28,431 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:28,431 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:28,431 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,431 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:28,431 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,431 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,431 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,433 - INFO - number of orbitals:  18
-2024-12-04 10:06:28,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,433 - INFO - moving on ...
-2024-12-04 10:06:28,433 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:28,433 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,433 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,433 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,435 - INFO - number of orbitals:  26
-2024-12-04 10:06:28,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,435 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,435 - INFO - moving on ...
-2024-12-04 10:06:28,435 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:28,435 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,435 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,435 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,436 - INFO - number of orbitals:  68
-2024-12-04 10:06:28,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,437 - INFO - moving on ...
-2024-12-04 10:06:28,437 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:28,437 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,437 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,437 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,438 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,438 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,438 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,438 - INFO - moving on ...
-2024-12-04 10:06:28,438 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:28,438 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,439 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,439 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,440 - INFO - number of orbitals:  18
-2024-12-04 10:06:28,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,440 - INFO - moving on ...
-2024-12-04 10:06:28,440 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:28,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,440 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,440 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,442 - INFO - number of orbitals:  26
-2024-12-04 10:06:28,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,442 - INFO - moving on ...
-2024-12-04 10:06:28,442 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:28,442 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,442 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,442 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,443 - INFO - number of orbitals:  68
-2024-12-04 10:06:28,444 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,444 - INFO - moving on ...
-2024-12-04 10:06:28,444 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:28,444 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,444 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,444 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,445 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,445 - INFO - moving on ...
-2024-12-04 10:06:28,445 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:28,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,447 - INFO - number of orbitals:  18
-2024-12-04 10:06:28,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,447 - INFO - moving on ...
-2024-12-04 10:06:28,447 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:28,447 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,447 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,449 - INFO - number of orbitals:  26
-2024-12-04 10:06:28,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,449 - INFO - moving on ...
-2024-12-04 10:06:28,449 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:28,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,450 - INFO - number of orbitals:  68
-2024-12-04 10:06:28,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,450 - INFO - moving on ...
-2024-12-04 10:06:28,450 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:28,450 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,452 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,452 - INFO - moving on ...
-2024-12-04 10:06:28,452 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:28,454 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:28,454 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:28,454 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,454 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:28,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,455 - INFO - number of orbitals:  70
-2024-12-04 10:06:28,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,455 - INFO - moving on ...
-2024-12-04 10:06:28,455 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:28,456 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:28,456 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:28,456 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,456 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:28,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,457 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,457 - INFO - moving on ...
-2024-12-04 10:06:28,457 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:28,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,458 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,458 - INFO - moving on ...
-2024-12-04 10:06:28,458 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:28,460 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:28,460 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:28,460 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,460 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:28,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,462 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,462 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,462 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:28,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:28,462 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:28,472 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,472 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,472 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:28,472 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,474 - INFO - number of orbitals:  34
-2024-12-04 10:06:28,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,474 - INFO - moving on ...
-2024-12-04 10:06:28,474 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:28,474 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,474 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,474 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,476 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,476 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,476 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:28,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:28,476 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:28,486 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,486 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,487 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:28,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,488 - INFO - number of orbitals:  36
-2024-12-04 10:06:28,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,489 - INFO - moving on ...
-2024-12-04 10:06:28,489 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:28,489 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,489 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,489 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,490 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,491 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,491 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:28,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:28,491 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:28,501 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,501 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,501 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:28,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,503 - INFO - number of orbitals:  34
-2024-12-04 10:06:28,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,503 - INFO - moving on ...
-2024-12-04 10:06:28,503 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:28,505 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:28,505 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:28,505 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,505 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:28,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,506 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,506 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,506 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,506 - INFO - moving on ...
-2024-12-04 10:06:28,506 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:28,507 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:28,507 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:28,507 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,507 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:28,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,508 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,508 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,509 - INFO - number of orbitals:  30
-2024-12-04 10:06:28,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,509 - INFO - moving on ...
-2024-12-04 10:06:28,509 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:28,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,509 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,510 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,511 - INFO - number of orbitals:  108
-2024-12-04 10:06:28,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,511 - INFO - moving on ...
-2024-12-04 10:06:28,511 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:28,512 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:28,512 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:28,512 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,512 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:28,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,513 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,514 - INFO - moving on ...
-2024-12-04 10:06:28,514 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:28,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,515 - INFO - number of orbitals:  135
-2024-12-04 10:06:28,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,515 - INFO - moving on ...
-2024-12-04 10:06:28,515 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:28,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,516 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,516 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,516 - INFO - moving on ...
-2024-12-04 10:06:28,516 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:28,517 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:28,517 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:28,517 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,517 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:28,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,518 - INFO - number of orbitals:  42
-2024-12-04 10:06:28,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,518 - INFO - moving on ...
-2024-12-04 10:06:28,518 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:28,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,520 - INFO - number of orbitals:  90
-2024-12-04 10:06:28,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,520 - INFO - moving on ...
-2024-12-04 10:06:28,520 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:28,521 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:28,521 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:28,521 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,521 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:28,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,522 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,522 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,522 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:28,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:28,522 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:28,532 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,532 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,532 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:28,534 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:28,534 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:28,534 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,534 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:28,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,535 - INFO - number of orbitals:  48
-2024-12-04 10:06:28,535 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,535 - INFO - moving on ...
-2024-12-04 10:06:28,535 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:28,537 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:28,537 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:28,537 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,537 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:28,537 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,537 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,537 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,538 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,538 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,538 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,538 - INFO - moving on ...
-2024-12-04 10:06:28,538 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:28,539 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,539 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,539 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,540 - INFO - number of orbitals:  46
-2024-12-04 10:06:28,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,540 - INFO - moving on ...
-2024-12-04 10:06:28,540 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:28,540 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,540 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,540 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,542 - INFO - number of orbitals:  46
-2024-12-04 10:06:28,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,542 - INFO - moving on ...
-2024-12-04 10:06:28,542 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:28,542 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,542 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,542 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,544 - INFO - number of orbitals:  30
-2024-12-04 10:06:28,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,544 - INFO - moving on ...
-2024-12-04 10:06:28,544 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:28,545 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:28,545 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:28,545 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,545 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:28,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,547 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,547 - INFO - moving on ...
-2024-12-04 10:06:28,547 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:28,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,548 - INFO - number of orbitals:  110
-2024-12-04 10:06:28,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,548 - INFO - moving on ...
-2024-12-04 10:06:28,548 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:28,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,549 - INFO - number of orbitals:  60
-2024-12-04 10:06:28,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,549 - INFO - moving on ...
-2024-12-04 10:06:28,549 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:28,551 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:28,551 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:28,551 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,551 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:28,551 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,551 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,551 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,552 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,553 - INFO - moving on ...
-2024-12-04 10:06:28,553 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:28,553 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,553 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,553 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,554 - INFO - number of orbitals:  70
-2024-12-04 10:06:28,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,555 - INFO - moving on ...
-2024-12-04 10:06:28,555 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:28,555 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,555 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,555 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,556 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,556 - INFO - moving on ...
-2024-12-04 10:06:28,556 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:28,556 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,558 - INFO - number of orbitals:  69
-2024-12-04 10:06:28,558 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,558 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,558 - INFO - moving on ...
-2024-12-04 10:06:28,558 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:28,558 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,558 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,558 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,560 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,560 - INFO - moving on ...
-2024-12-04 10:06:28,560 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:28,560 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,560 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,560 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,562 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,562 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,562 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,562 - INFO - moving on ...
-2024-12-04 10:06:28,562 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:28,562 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,564 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,564 - INFO - moving on ...
-2024-12-04 10:06:28,564 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:28,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,564 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,565 - INFO - number of orbitals:  69
-2024-12-04 10:06:28,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,566 - INFO - moving on ...
-2024-12-04 10:06:28,566 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:28,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,566 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,566 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,567 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,567 - INFO - moving on ...
-2024-12-04 10:06:28,567 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:28,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,568 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,569 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,569 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,569 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,569 - INFO - moving on ...
-2024-12-04 10:06:28,569 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:28,569 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,569 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,569 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,571 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,571 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,571 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,571 - INFO - moving on ...
-2024-12-04 10:06:28,571 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:28,571 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,571 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,571 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,572 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,573 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,573 - INFO - moving on ...
-2024-12-04 10:06:28,573 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:28,573 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,573 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,573 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,574 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,574 - INFO - moving on ...
-2024-12-04 10:06:28,574 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:28,574 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,575 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,575 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,576 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,576 - INFO - moving on ...
-2024-12-04 10:06:28,576 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:28,576 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,576 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,576 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,578 - INFO - number of orbitals:  25
-2024-12-04 10:06:28,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,578 - INFO - moving on ...
-2024-12-04 10:06:28,578 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:28,578 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,578 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,578 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,580 - INFO - number of orbitals:  39
-2024-12-04 10:06:28,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,580 - INFO - moving on ...
-2024-12-04 10:06:28,580 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:28,581 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:28,581 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:28,581 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,581 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:28,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,582 - INFO - number of orbitals:  22
-2024-12-04 10:06:28,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,582 - INFO - moving on ...
-2024-12-04 10:06:28,582 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:28,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,584 - INFO - number of orbitals:  79
-2024-12-04 10:06:28,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,584 - INFO - moving on ...
-2024-12-04 10:06:28,584 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:28,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,585 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,585 - INFO - moving on ...
-2024-12-04 10:06:28,585 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:28,586 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:28,586 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:28,586 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,586 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:28,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,587 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,587 - INFO - moving on ...
-2024-12-04 10:06:28,587 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:28,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,588 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,589 - INFO - moving on ...
-2024-12-04 10:06:28,589 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:28,590 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:28,590 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:28,590 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,590 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:28,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,591 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,591 - INFO - moving on ...
-2024-12-04 10:06:28,591 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:28,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,592 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,592 - INFO - moving on ...
-2024-12-04 10:06:28,592 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:28,594 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:28,594 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:28,594 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,594 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:28,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,595 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,595 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,595 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:28,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:28,595 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:28,605 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,605 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,605 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:28,606 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:28,606 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:28,606 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,606 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:28,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,608 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,608 - INFO - moving on ...
-2024-12-04 10:06:28,608 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:28,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,609 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,609 - INFO - moving on ...
-2024-12-04 10:06:28,609 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:28,610 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:28,610 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:28,610 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,610 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:28,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,611 - INFO - number of orbitals:  33
-2024-12-04 10:06:28,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,611 - INFO - moving on ...
-2024-12-04 10:06:28,611 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:28,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,613 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,613 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,613 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,613 - INFO - moving on ...
-2024-12-04 10:06:28,613 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:28,613 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:28,613 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:28,613 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,614 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:28,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,615 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,615 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,615 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,615 - INFO - moving on ...
-2024-12-04 10:06:28,615 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:28,616 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:28,616 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:28,616 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,616 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:28,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,617 - INFO - number of orbitals:  58
-2024-12-04 10:06:28,617 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,617 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,617 - INFO - moving on ...
-2024-12-04 10:06:28,617 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:28,618 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:28,618 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:28,618 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,618 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:28,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,619 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,619 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,619 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,619 - INFO - moving on ...
-2024-12-04 10:06:28,619 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:28,620 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:28,620 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:28,620 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,620 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:28,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,621 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,621 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,621 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,621 - INFO - moving on ...
-2024-12-04 10:06:28,621 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:28,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,622 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,622 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,622 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,622 - INFO - moving on ...
-2024-12-04 10:06:28,622 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:28,623 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:28,623 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:28,623 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,623 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:28,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,625 - INFO - number of orbitals:  32
-2024-12-04 10:06:28,625 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,625 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,625 - INFO - moving on ...
-2024-12-04 10:06:28,625 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:28,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,626 - INFO - number of orbitals:  64
-2024-12-04 10:06:28,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,626 - INFO - moving on ...
-2024-12-04 10:06:28,626 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:28,627 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:28,627 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:28,627 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,627 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:28,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,628 - INFO - number of orbitals:  34
-2024-12-04 10:06:28,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,628 - INFO - moving on ...
-2024-12-04 10:06:28,628 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:28,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,629 - INFO - number of orbitals:  86
-2024-12-04 10:06:28,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,629 - INFO - moving on ...
-2024-12-04 10:06:28,629 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:28,630 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:28,630 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:28,631 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,631 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:28,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,632 - INFO - number of orbitals:  48
-2024-12-04 10:06:28,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,632 - INFO - moving on ...
-2024-12-04 10:06:28,632 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:28,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,633 - INFO - number of orbitals:  116
-2024-12-04 10:06:28,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,633 - INFO - moving on ...
-2024-12-04 10:06:28,633 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:28,634 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:28,634 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:28,634 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,634 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:28,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,635 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,635 - INFO - moving on ...
-2024-12-04 10:06:28,635 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:28,636 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:28,636 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:28,636 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,636 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:28,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,638 - INFO - number of orbitals:  38
-2024-12-04 10:06:28,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,638 - INFO - moving on ...
-2024-12-04 10:06:28,638 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:28,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,639 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,639 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,639 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,639 - INFO - moving on ...
-2024-12-04 10:06:28,639 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:28,640 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:28,640 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:28,640 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,640 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:28,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,641 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,641 - INFO - moving on ...
-2024-12-04 10:06:28,641 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:28,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,642 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,642 - INFO - moving on ...
-2024-12-04 10:06:28,642 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:28,643 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:28,643 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:28,643 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,643 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:28,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,644 - INFO - number of orbitals:  19
-2024-12-04 10:06:28,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,645 - INFO - moving on ...
-2024-12-04 10:06:28,645 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:28,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,646 - INFO - number of orbitals:  85
-2024-12-04 10:06:28,646 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,646 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,646 - INFO - moving on ...
-2024-12-04 10:06:28,646 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:28,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,647 - INFO - number of orbitals:  44
-2024-12-04 10:06:28,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,647 - INFO - moving on ...
-2024-12-04 10:06:28,647 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:28,648 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:28,648 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:28,648 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,648 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:28,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,649 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,649 - INFO - moving on ...
-2024-12-04 10:06:28,649 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:28,650 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:28,650 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:28,650 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,650 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:28,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,651 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,651 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,651 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:28,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:28,651 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:28,661 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,661 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,661 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:28,662 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:28,662 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:28,662 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,662 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:28,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,664 - INFO - number of orbitals:  38
-2024-12-04 10:06:28,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,664 - INFO - moving on ...
-2024-12-04 10:06:28,664 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:28,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,665 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,665 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,665 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,665 - INFO - moving on ...
-2024-12-04 10:06:28,665 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:28,666 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:28,666 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:28,666 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,666 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:28,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,667 - INFO - number of orbitals:  48
-2024-12-04 10:06:28,667 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,667 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,667 - INFO - moving on ...
-2024-12-04 10:06:28,667 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:28,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,668 - INFO - number of orbitals:  116
-2024-12-04 10:06:28,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,668 - INFO - moving on ...
-2024-12-04 10:06:28,669 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:28,669 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:28,669 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:28,669 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,669 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:28,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,671 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,671 - INFO - moving on ...
-2024-12-04 10:06:28,671 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:28,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,672 - INFO - number of orbitals:  110
-2024-12-04 10:06:28,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,672 - INFO - moving on ...
-2024-12-04 10:06:28,672 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:28,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,673 - INFO - number of orbitals:  60
-2024-12-04 10:06:28,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,673 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,673 - INFO - moving on ...
-2024-12-04 10:06:28,673 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:28,674 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:28,674 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:28,674 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,674 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:28,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,675 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,675 - INFO - number of supporting files: 2
-2024-12-04 10:06:28,675 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:28,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:28,675 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:28,685 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,685 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,685 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:28,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:28,685 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:28,685 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:28,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,687 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,687 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,687 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,687 - INFO - moving on ...
-2024-12-04 10:06:28,687 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:28,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,688 - INFO - number of orbitals:  30
-2024-12-04 10:06:28,688 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,688 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,688 - INFO - moving on ...
-2024-12-04 10:06:28,688 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:28,689 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:28,689 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:28,689 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,689 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:28,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,690 - INFO - number of orbitals:  69
-2024-12-04 10:06:28,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,690 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,691 - INFO - moving on ...
-2024-12-04 10:06:28,691 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:28,692 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:28,692 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:28,692 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,692 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:28,692 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,692 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,693 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,694 - INFO - number of orbitals:  18
-2024-12-04 10:06:28,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,694 - INFO - moving on ...
-2024-12-04 10:06:28,694 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:28,694 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,694 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,694 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,696 - INFO - number of orbitals:  22
-2024-12-04 10:06:28,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,696 - INFO - moving on ...
-2024-12-04 10:06:28,696 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:28,696 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,696 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,696 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,698 - INFO - number of orbitals:  34
-2024-12-04 10:06:28,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,698 - INFO - moving on ...
-2024-12-04 10:06:28,698 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:28,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,699 - INFO - number of orbitals:  36
-2024-12-04 10:06:28,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,699 - INFO - moving on ...
-2024-12-04 10:06:28,699 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:28,700 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,701 - INFO - number of orbitals:  18
-2024-12-04 10:06:28,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,701 - INFO - moving on ...
-2024-12-04 10:06:28,701 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:28,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,701 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,703 - INFO - number of orbitals:  22
-2024-12-04 10:06:28,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,703 - INFO - moving on ...
-2024-12-04 10:06:28,703 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:28,703 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,703 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,703 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,705 - INFO - number of orbitals:  34
-2024-12-04 10:06:28,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,705 - INFO - moving on ...
-2024-12-04 10:06:28,705 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:28,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,706 - INFO - number of orbitals:  36
-2024-12-04 10:06:28,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,707 - INFO - moving on ...
-2024-12-04 10:06:28,707 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:28,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,707 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,707 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,708 - INFO - number of orbitals:  19
-2024-12-04 10:06:28,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,708 - INFO - moving on ...
-2024-12-04 10:06:28,708 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:28,708 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,709 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,710 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,710 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,710 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,710 - INFO - moving on ...
-2024-12-04 10:06:28,710 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:28,710 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,710 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,710 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,712 - INFO - number of orbitals:  34
-2024-12-04 10:06:28,712 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,712 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,712 - INFO - moving on ...
-2024-12-04 10:06:28,712 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:28,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,714 - INFO - number of orbitals:  36
-2024-12-04 10:06:28,714 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,714 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,714 - INFO - moving on ...
-2024-12-04 10:06:28,714 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:28,715 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:28,715 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:28,715 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,715 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:28,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,716 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,716 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,716 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:28,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:28,716 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:28,726 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,727 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,727 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:28,728 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:28,728 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:28,728 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,728 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:28,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,730 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,730 - INFO - moving on ...
-2024-12-04 10:06:28,730 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:28,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,731 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,731 - INFO - moving on ...
-2024-12-04 10:06:28,731 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:28,733 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:28,733 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:28,733 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,733 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:28,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,734 - INFO - number of orbitals:  32
-2024-12-04 10:06:28,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,734 - INFO - moving on ...
-2024-12-04 10:06:28,734 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:28,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,735 - INFO - number of orbitals:  114
-2024-12-04 10:06:28,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,736 - INFO - moving on ...
-2024-12-04 10:06:28,736 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:28,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,737 - INFO - number of orbitals:  64
-2024-12-04 10:06:28,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,737 - INFO - moving on ...
-2024-12-04 10:06:28,737 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:28,738 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:28,738 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:28,738 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,738 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:28,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,739 - INFO - number of orbitals:  38
-2024-12-04 10:06:28,739 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,739 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,739 - INFO - moving on ...
-2024-12-04 10:06:28,739 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:28,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,740 - INFO - number of orbitals:  90
-2024-12-04 10:06:28,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,740 - INFO - moving on ...
-2024-12-04 10:06:28,740 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:28,742 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:28,742 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:28,742 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,742 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:28,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,743 - INFO - number of orbitals:  22
-2024-12-04 10:06:28,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,743 - INFO - moving on ...
-2024-12-04 10:06:28,743 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:28,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,744 - INFO - number of orbitals:  79
-2024-12-04 10:06:28,744 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,744 - INFO - moving on ...
-2024-12-04 10:06:28,744 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:28,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,745 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,745 - INFO - moving on ...
-2024-12-04 10:06:28,745 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:28,746 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:28,747 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:28,747 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,747 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:28,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,748 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,748 - INFO - moving on ...
-2024-12-04 10:06:28,748 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:28,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,749 - INFO - number of orbitals:  110
-2024-12-04 10:06:28,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,749 - INFO - moving on ...
-2024-12-04 10:06:28,749 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:28,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,750 - INFO - number of orbitals:  60
-2024-12-04 10:06:28,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,750 - INFO - moving on ...
-2024-12-04 10:06:28,750 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:28,751 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:28,751 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:28,751 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,751 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:28,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,753 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,753 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,753 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,753 - INFO - moving on ...
-2024-12-04 10:06:28,753 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:28,753 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:28,754 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:28,754 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,754 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:28,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,755 - INFO - number of orbitals:  36
-2024-12-04 10:06:28,755 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,755 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,755 - INFO - moving on ...
-2024-12-04 10:06:28,755 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:28,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,756 - INFO - number of orbitals:  118
-2024-12-04 10:06:28,756 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,756 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,756 - INFO - moving on ...
-2024-12-04 10:06:28,756 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:28,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,757 - INFO - number of orbitals:  68
-2024-12-04 10:06:28,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,757 - INFO - moving on ...
-2024-12-04 10:06:28,757 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:28,758 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:28,758 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:28,758 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,758 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:28,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,759 - INFO - number of orbitals:  38
-2024-12-04 10:06:28,759 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,759 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,759 - INFO - moving on ...
-2024-12-04 10:06:28,759 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:28,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,760 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,760 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,760 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,760 - INFO - moving on ...
-2024-12-04 10:06:28,760 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:28,761 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:28,761 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:28,761 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,761 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:28,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,762 - INFO - number of orbitals:  30
-2024-12-04 10:06:28,762 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,762 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,762 - INFO - moving on ...
-2024-12-04 10:06:28,762 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:28,763 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:28,763 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:28,763 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,763 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:28,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,764 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,764 - INFO - moving on ...
-2024-12-04 10:06:28,764 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:28,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,765 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,766 - INFO - moving on ...
-2024-12-04 10:06:28,766 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:28,766 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:28,766 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:28,766 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,766 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:28,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,768 - INFO - number of orbitals:  46
-2024-12-04 10:06:28,768 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,768 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,768 - INFO - moving on ...
-2024-12-04 10:06:28,768 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:28,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,769 - INFO - number of orbitals:  94
-2024-12-04 10:06:28,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,769 - INFO - moving on ...
-2024-12-04 10:06:28,769 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:28,770 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:28,770 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:28,770 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,770 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:28,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,771 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,771 - INFO - moving on ...
-2024-12-04 10:06:28,771 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:28,772 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:28,772 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:28,772 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,772 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:28,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,773 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,773 - INFO - moving on ...
-2024-12-04 10:06:28,773 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:28,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,774 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,774 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,774 - INFO - moving on ...
-2024-12-04 10:06:28,774 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:28,775 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:28,775 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:28,775 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,775 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:28,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,776 - INFO - number of orbitals:  47
-2024-12-04 10:06:28,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,776 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,776 - INFO - moving on ...
-2024-12-04 10:06:28,776 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:28,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,777 - INFO - number of orbitals:  106
-2024-12-04 10:06:28,777 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,777 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,777 - INFO - moving on ...
-2024-12-04 10:06:28,777 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:28,778 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:28,778 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:28,778 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,778 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:28,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,779 - INFO - number of orbitals:  24
-2024-12-04 10:06:28,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,779 - INFO - moving on ...
-2024-12-04 10:06:28,779 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:28,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,780 - INFO - number of orbitals:  115
-2024-12-04 10:06:28,781 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,781 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,781 - INFO - moving on ...
-2024-12-04 10:06:28,781 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:28,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,782 - INFO - number of orbitals:  58
-2024-12-04 10:06:28,782 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,782 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,782 - INFO - moving on ...
-2024-12-04 10:06:28,782 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:28,783 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:28,783 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:28,783 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,783 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:28,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,784 - INFO - number of orbitals:  29
-2024-12-04 10:06:28,784 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,784 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,784 - INFO - moving on ...
-2024-12-04 10:06:28,784 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:28,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,785 - INFO - number of orbitals:  72
-2024-12-04 10:06:28,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,785 - INFO - moving on ...
-2024-12-04 10:06:28,785 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:28,786 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:28,786 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:28,786 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,786 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:28,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,787 - INFO - number of orbitals:  36
-2024-12-04 10:06:28,787 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,787 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,787 - INFO - moving on ...
-2024-12-04 10:06:28,787 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:28,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,788 - INFO - number of orbitals:  118
-2024-12-04 10:06:28,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,788 - INFO - moving on ...
-2024-12-04 10:06:28,788 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:28,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,789 - INFO - number of orbitals:  68
-2024-12-04 10:06:28,789 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,789 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,790 - INFO - moving on ...
-2024-12-04 10:06:28,790 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:28,791 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:28,791 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:28,791 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,791 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:28,791 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,791 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,791 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,793 - INFO - number of orbitals:  69
-2024-12-04 10:06:28,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,793 - INFO - moving on ...
-2024-12-04 10:06:28,793 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:28,793 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,793 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,793 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,795 - INFO - number of orbitals:  70
-2024-12-04 10:06:28,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,795 - INFO - moving on ...
-2024-12-04 10:06:28,795 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:28,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,796 - INFO - number of orbitals:  69
-2024-12-04 10:06:28,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,796 - INFO - moving on ...
-2024-12-04 10:06:28,796 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:28,797 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:28,798 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:28,798 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,798 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:28,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,799 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,799 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,799 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,799 - INFO - moving on ...
-2024-12-04 10:06:28,799 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:28,800 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:28,800 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:28,800 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,800 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:28,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,801 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,801 - INFO - moving on ...
-2024-12-04 10:06:28,801 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:28,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,802 - INFO - number of orbitals:  110
-2024-12-04 10:06:28,802 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,802 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,802 - INFO - moving on ...
-2024-12-04 10:06:28,803 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:28,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,804 - INFO - number of orbitals:  60
-2024-12-04 10:06:28,804 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,804 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,804 - INFO - moving on ...
-2024-12-04 10:06:28,804 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:28,804 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:28,804 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:28,805 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,805 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:28,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,806 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,806 - INFO - moving on ...
-2024-12-04 10:06:28,806 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:28,807 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:28,807 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:28,807 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,807 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:28,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,808 - INFO - number of orbitals:  36
-2024-12-04 10:06:28,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,808 - INFO - moving on ...
-2024-12-04 10:06:28,808 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:28,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,809 - INFO - number of orbitals:  118
-2024-12-04 10:06:28,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,809 - INFO - moving on ...
-2024-12-04 10:06:28,809 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:28,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,810 - INFO - number of orbitals:  68
-2024-12-04 10:06:28,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,810 - INFO - moving on ...
-2024-12-04 10:06:28,810 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:28,812 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:28,812 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:28,812 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,812 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:28,812 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,812 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,812 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,814 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,814 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,814 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:28,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:28,814 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:28,823 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,823 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,823 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:28,823 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,823 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,823 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,825 - INFO - number of orbitals:  30
-2024-12-04 10:06:28,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,825 - INFO - moving on ...
-2024-12-04 10:06:28,825 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:28,825 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,825 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,825 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,827 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,827 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,827 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:28,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:28,827 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:28,836 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,837 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,837 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:28,837 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,837 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,837 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,838 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,839 - INFO - moving on ...
-2024-12-04 10:06:28,839 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:28,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,839 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,839 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,840 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,840 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,840 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:28,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:28,840 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:28,850 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,851 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,851 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:28,851 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,853 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,853 - INFO - moving on ...
-2024-12-04 10:06:28,853 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:28,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,855 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,855 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,855 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:28,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:28,855 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:28,865 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,865 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,866 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:28,866 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,866 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,866 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,868 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-04 10:06:28,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,868 - INFO - moving on ...
-2024-12-04 10:06:28,868 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:28,868 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:28,868 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:28,868 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,868 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:28,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,870 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,870 - INFO - moving on ...
-2024-12-04 10:06:28,870 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:28,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,871 - INFO - number of orbitals:  135
-2024-12-04 10:06:28,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,871 - INFO - moving on ...
-2024-12-04 10:06:28,871 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:28,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,873 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,873 - INFO - moving on ...
-2024-12-04 10:06:28,873 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:28,873 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:28,873 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:28,873 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,873 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:28,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,874 - INFO - number of orbitals:  42
-2024-12-04 10:06:28,874 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,874 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,874 - INFO - moving on ...
-2024-12-04 10:06:28,874 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:28,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,875 - INFO - number of orbitals:  90
-2024-12-04 10:06:28,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,875 - INFO - moving on ...
-2024-12-04 10:06:28,875 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:28,876 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:28,876 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:28,876 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,876 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:28,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,877 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,877 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,877 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:28,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:28,877 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:28,888 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,888 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,888 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:28,889 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:28,889 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:28,889 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,889 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:28,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,890 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,890 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,890 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,890 - INFO - moving on ...
-2024-12-04 10:06:28,890 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:28,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,892 - INFO - number of orbitals:  110
-2024-12-04 10:06:28,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,892 - INFO - moving on ...
-2024-12-04 10:06:28,892 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:28,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,893 - INFO - number of orbitals:  60
-2024-12-04 10:06:28,893 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,893 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,893 - INFO - moving on ...
-2024-12-04 10:06:28,893 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:28,893 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:28,893 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:28,894 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,894 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:28,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,895 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,895 - INFO - number of supporting files: 2
-2024-12-04 10:06:28,895 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:28,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:28,895 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:28,905 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:28,905 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:28,905 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:28,905 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:28,906 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:28,906 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:28,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,907 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,907 - INFO - moving on ...
-2024-12-04 10:06:28,907 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:28,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,908 - INFO - number of orbitals:  30
-2024-12-04 10:06:28,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,908 - INFO - moving on ...
-2024-12-04 10:06:28,908 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:28,909 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:28,909 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:28,909 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,909 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:28,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,909 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,909 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,911 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,911 - INFO - moving on ...
-2024-12-04 10:06:28,911 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:28,911 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,911 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,911 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,913 - INFO - number of orbitals:  53
-2024-12-04 10:06:28,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,913 - INFO - moving on ...
-2024-12-04 10:06:28,913 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:28,913 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,913 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,913 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,915 - INFO - number of orbitals:  58
-2024-12-04 10:06:28,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,915 - INFO - moving on ...
-2024-12-04 10:06:28,915 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:28,915 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,915 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,915 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,916 - INFO - number of orbitals:  44
-2024-12-04 10:06:28,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,917 - INFO - moving on ...
-2024-12-04 10:06:28,917 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:28,917 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,918 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,918 - INFO - moving on ...
-2024-12-04 10:06:28,918 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:28,918 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,918 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,918 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,920 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,920 - INFO - moving on ...
-2024-12-04 10:06:28,920 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:28,920 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,920 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,920 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,922 - INFO - number of orbitals:  44
-2024-12-04 10:06:28,922 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,922 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,922 - INFO - moving on ...
-2024-12-04 10:06:28,922 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:28,922 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,922 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,922 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,924 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,924 - INFO - moving on ...
-2024-12-04 10:06:28,924 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:28,924 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,924 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,924 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,926 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,926 - INFO - moving on ...
-2024-12-04 10:06:28,926 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:28,926 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:28,926 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:28,926 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,926 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:28,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,927 - INFO - number of orbitals:  47
-2024-12-04 10:06:28,927 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,927 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,927 - INFO - moving on ...
-2024-12-04 10:06:28,927 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:28,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,928 - INFO - number of orbitals:  106
-2024-12-04 10:06:28,929 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,929 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,929 - INFO - moving on ...
-2024-12-04 10:06:28,929 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:28,929 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:28,929 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:28,929 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,929 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:28,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,930 - INFO - number of orbitals:  24
-2024-12-04 10:06:28,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,930 - INFO - moving on ...
-2024-12-04 10:06:28,930 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:28,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,931 - INFO - number of orbitals:  115
-2024-12-04 10:06:28,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,931 - INFO - moving on ...
-2024-12-04 10:06:28,932 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:28,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,933 - INFO - number of orbitals:  58
-2024-12-04 10:06:28,933 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,933 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,933 - INFO - moving on ...
-2024-12-04 10:06:28,933 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:28,933 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:28,933 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:28,933 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,933 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:28,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,934 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,934 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,934 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,934 - INFO - moving on ...
-2024-12-04 10:06:28,934 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:28,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,936 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,936 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,936 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,936 - INFO - moving on ...
-2024-12-04 10:06:28,936 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:28,936 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:28,936 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:28,936 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,936 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:28,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,937 - INFO - number of orbitals:  23
-2024-12-04 10:06:28,937 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,937 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,937 - INFO - moving on ...
-2024-12-04 10:06:28,937 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:28,938 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,938 - INFO - number of orbitals:  89
-2024-12-04 10:06:28,938 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,938 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,939 - INFO - moving on ...
-2024-12-04 10:06:28,939 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:28,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,940 - INFO - number of orbitals:  48
-2024-12-04 10:06:28,940 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,940 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,940 - INFO - moving on ...
-2024-12-04 10:06:28,940 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:28,940 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:28,940 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:28,940 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,940 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:28,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,941 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,941 - INFO - moving on ...
-2024-12-04 10:06:28,941 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:28,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,943 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,943 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,943 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,943 - INFO - moving on ...
-2024-12-04 10:06:28,943 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:28,943 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:28,943 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:28,943 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,943 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:28,943 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,943 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,943 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,945 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,945 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,945 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,945 - INFO - moving on ...
-2024-12-04 10:06:28,945 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:28,945 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,945 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,945 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,947 - INFO - number of orbitals:  70
-2024-12-04 10:06:28,947 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,947 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,947 - INFO - moving on ...
-2024-12-04 10:06:28,947 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:28,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,947 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,949 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,949 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,949 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,949 - INFO - moving on ...
-2024-12-04 10:06:28,949 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:28,949 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,949 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,949 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,951 - INFO - number of orbitals:  69
-2024-12-04 10:06:28,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,951 - INFO - moving on ...
-2024-12-04 10:06:28,951 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:28,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,952 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,953 - INFO - moving on ...
-2024-12-04 10:06:28,953 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:28,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,954 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,954 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,954 - INFO - moving on ...
-2024-12-04 10:06:28,954 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:28,954 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,955 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,955 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,956 - INFO - number of orbitals:  55
-2024-12-04 10:06:28,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,956 - INFO - moving on ...
-2024-12-04 10:06:28,956 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:28,956 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,956 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,956 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,958 - INFO - number of orbitals:  69
-2024-12-04 10:06:28,958 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,958 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,958 - INFO - moving on ...
-2024-12-04 10:06:28,958 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:28,958 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,958 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,958 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,960 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,960 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,960 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,960 - INFO - moving on ...
-2024-12-04 10:06:28,960 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:28,960 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,960 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,960 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,961 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,961 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,961 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,962 - INFO - moving on ...
-2024-12-04 10:06:28,962 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:28,962 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,963 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,963 - INFO - moving on ...
-2024-12-04 10:06:28,963 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:28,963 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,963 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,963 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,965 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,965 - INFO - moving on ...
-2024-12-04 10:06:28,965 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:28,965 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,965 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,965 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,967 - INFO - number of orbitals:  31
-2024-12-04 10:06:28,967 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,967 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,967 - INFO - moving on ...
-2024-12-04 10:06:28,967 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:28,967 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,967 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,967 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,968 - INFO - number of orbitals:  45
-2024-12-04 10:06:28,968 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,968 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,969 - INFO - moving on ...
-2024-12-04 10:06:28,969 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:28,969 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,969 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,969 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,970 - INFO - number of orbitals:  25
-2024-12-04 10:06:28,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,970 - INFO - moving on ...
-2024-12-04 10:06:28,970 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:28,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,972 - INFO - number of orbitals:  39
-2024-12-04 10:06:28,972 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,972 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,972 - INFO - moving on ...
-2024-12-04 10:06:28,972 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:28,972 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:28,972 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:28,972 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,972 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:28,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,974 - INFO - number of orbitals:  54
-2024-12-04 10:06:28,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,974 - INFO - moving on ...
-2024-12-04 10:06:28,974 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:28,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,975 - INFO - number of orbitals:  88
-2024-12-04 10:06:28,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,975 - INFO - moving on ...
-2024-12-04 10:06:28,975 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:28,975 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:28,975 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:28,975 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,975 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:28,976 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,976 - INFO - number of orbitals:  76
-2024-12-04 10:06:28,976 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,976 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,976 - INFO - moving on ...
-2024-12-04 10:06:28,976 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:28,977 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:28,977 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:28,977 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,977 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:28,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,978 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,978 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,978 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,978 - INFO - moving on ...
-2024-12-04 10:06:28,978 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:28,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,979 - INFO - number of orbitals:  110
-2024-12-04 10:06:28,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,979 - INFO - moving on ...
-2024-12-04 10:06:28,979 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:28,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,980 - INFO - number of orbitals:  60
-2024-12-04 10:06:28,980 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,980 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,980 - INFO - moving on ...
-2024-12-04 10:06:28,980 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:28,981 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:28,981 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:28,981 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,981 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:28,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,982 - INFO - number of orbitals:  48
-2024-12-04 10:06:28,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,982 - INFO - moving on ...
-2024-12-04 10:06:28,982 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:28,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,983 - INFO - number of orbitals:  116
-2024-12-04 10:06:28,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,983 - INFO - moving on ...
-2024-12-04 10:06:28,983 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:28,983 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:28,983 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:28,983 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,983 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:28,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,984 - INFO - number of orbitals:  28
-2024-12-04 10:06:28,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,985 - INFO - moving on ...
-2024-12-04 10:06:28,985 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:28,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,986 - INFO - number of orbitals:  110
-2024-12-04 10:06:28,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,986 - INFO - moving on ...
-2024-12-04 10:06:28,986 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:28,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,987 - INFO - number of orbitals:  60
-2024-12-04 10:06:28,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:28,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:28,987 - INFO - moving on ...
-2024-12-04 10:06:28,987 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:28,987 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:28,987 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:28,987 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:28,987 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:28,988 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:28,988 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:28,988 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:28,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:28,989 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:28,989 - INFO - number of supporting files: 1
-2024-12-04 10:06:28,989 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:28,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:28,989 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:28,999 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,000 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,000 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:29,000 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,000 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,000 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,002 - INFO - number of orbitals:  22
-2024-12-04 10:06:29,002 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,002 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,002 - INFO - moving on ...
-2024-12-04 10:06:29,002 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:29,002 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,002 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,002 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,004 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,004 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,004 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,004 - INFO - moving on ...
-2024-12-04 10:06:29,004 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:29,004 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,004 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,004 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,006 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,006 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,006 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,006 - INFO - moving on ...
-2024-12-04 10:06:29,006 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:29,006 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,006 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,006 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,007 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,008 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,008 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:29,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:29,008 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:29,018 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,018 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,018 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:29,018 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,019 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,019 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,020 - INFO - number of orbitals:  22
-2024-12-04 10:06:29,021 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,021 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,021 - INFO - moving on ...
-2024-12-04 10:06:29,021 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:29,021 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,021 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,021 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,022 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,023 - INFO - moving on ...
-2024-12-04 10:06:29,023 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:29,023 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,023 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,023 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,024 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,024 - INFO - moving on ...
-2024-12-04 10:06:29,025 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:29,025 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,026 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,026 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,026 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:29,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:29,026 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:29,036 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,037 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,037 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:29,037 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,037 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,037 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,039 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,039 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,039 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,039 - INFO - moving on ...
-2024-12-04 10:06:29,039 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:29,039 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,039 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,039 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,041 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,041 - INFO - moving on ...
-2024-12-04 10:06:29,041 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:29,041 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,041 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,041 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,043 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,043 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,043 - INFO - moving on ...
-2024-12-04 10:06:29,043 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:29,043 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:29,043 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:29,043 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,043 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:29,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,044 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,044 - INFO - moving on ...
-2024-12-04 10:06:29,044 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:29,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,045 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,046 - INFO - moving on ...
-2024-12-04 10:06:29,046 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:29,046 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:29,046 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:29,046 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,046 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:29,046 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,046 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,046 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,048 - INFO - number of orbitals:  69
-2024-12-04 10:06:29,048 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,048 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,048 - INFO - moving on ...
-2024-12-04 10:06:29,048 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:29,048 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,048 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,048 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,049 - INFO - number of orbitals:  70
-2024-12-04 10:06:29,049 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,050 - INFO - moving on ...
-2024-12-04 10:06:29,050 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:29,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,051 - INFO - number of orbitals:  69
-2024-12-04 10:06:29,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,051 - INFO - moving on ...
-2024-12-04 10:06:29,051 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:29,052 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:29,052 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:29,052 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,052 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:29,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,053 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,053 - INFO - moving on ...
-2024-12-04 10:06:29,053 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:29,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,054 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,054 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,054 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,054 - INFO - moving on ...
-2024-12-04 10:06:29,054 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:29,054 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:29,054 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:29,054 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,054 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:29,055 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,055 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,056 - INFO - moving on ...
-2024-12-04 10:06:29,056 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:29,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,057 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,057 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,057 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,057 - INFO - moving on ...
-2024-12-04 10:06:29,057 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:29,057 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:29,057 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:29,057 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,057 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:29,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,058 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,058 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,058 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:29,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:29,058 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:29,068 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,068 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,068 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:29,068 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:29,068 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:29,068 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,068 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:29,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,070 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,070 - INFO - moving on ...
-2024-12-04 10:06:29,070 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:29,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,071 - INFO - number of orbitals:  118
-2024-12-04 10:06:29,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,071 - INFO - moving on ...
-2024-12-04 10:06:29,071 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:29,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,072 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,072 - INFO - moving on ...
-2024-12-04 10:06:29,072 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:29,072 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:29,072 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:29,072 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,072 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:29,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,073 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,074 - INFO - moving on ...
-2024-12-04 10:06:29,074 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:29,074 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:29,074 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:29,074 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,074 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:29,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,075 - INFO - number of orbitals:  58
-2024-12-04 10:06:29,075 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,075 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,075 - INFO - moving on ...
-2024-12-04 10:06:29,075 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:29,075 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:29,075 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:29,075 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,075 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:29,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,076 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,076 - INFO - moving on ...
-2024-12-04 10:06:29,076 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:29,077 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:29,077 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:29,077 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,077 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:29,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,078 - INFO - number of orbitals:  69
-2024-12-04 10:06:29,078 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,078 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,078 - INFO - moving on ...
-2024-12-04 10:06:29,078 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:29,078 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:29,078 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:29,078 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,078 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:29,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,079 - INFO - number of orbitals:  22
-2024-12-04 10:06:29,079 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,079 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,079 - INFO - moving on ...
-2024-12-04 10:06:29,079 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:29,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,080 - INFO - number of orbitals:  79
-2024-12-04 10:06:29,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,081 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,081 - INFO - moving on ...
-2024-12-04 10:06:29,081 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:29,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,082 - INFO - number of orbitals:  45
-2024-12-04 10:06:29,082 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,082 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,082 - INFO - moving on ...
-2024-12-04 10:06:29,082 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:29,082 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:29,082 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:29,082 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,082 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:29,082 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,082 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,082 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,084 - INFO - number of orbitals:  30
-2024-12-04 10:06:29,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,084 - INFO - moving on ...
-2024-12-04 10:06:29,084 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:29,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,085 - INFO - number of orbitals:  108
-2024-12-04 10:06:29,085 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,086 - INFO - moving on ...
-2024-12-04 10:06:29,086 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:29,086 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:29,086 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:29,086 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,086 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:29,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,087 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,087 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,087 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,087 - INFO - moving on ...
-2024-12-04 10:06:29,087 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:29,087 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:29,087 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:29,087 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,087 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:29,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,088 - INFO - number of orbitals:  38
-2024-12-04 10:06:29,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,088 - INFO - moving on ...
-2024-12-04 10:06:29,088 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:29,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,089 - INFO - number of orbitals:  90
-2024-12-04 10:06:29,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,090 - INFO - moving on ...
-2024-12-04 10:06:29,090 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:29,090 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:29,090 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:29,090 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,090 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:29,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,091 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,091 - INFO - moving on ...
-2024-12-04 10:06:29,091 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:29,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,092 - INFO - number of orbitals:  135
-2024-12-04 10:06:29,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,092 - INFO - moving on ...
-2024-12-04 10:06:29,092 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:29,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,093 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,093 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,093 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,094 - INFO - moving on ...
-2024-12-04 10:06:29,094 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:29,094 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:29,094 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:29,094 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,094 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:29,095 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,095 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,095 - INFO - moving on ...
-2024-12-04 10:06:29,095 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:29,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,096 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,096 - INFO - moving on ...
-2024-12-04 10:06:29,096 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:29,096 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:29,096 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:29,096 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,096 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:29,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,097 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,097 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,097 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,097 - INFO - moving on ...
-2024-12-04 10:06:29,097 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:29,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,098 - INFO - number of orbitals:  119
-2024-12-04 10:06:29,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,098 - INFO - moving on ...
-2024-12-04 10:06:29,098 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:29,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,100 - INFO - number of orbitals:  62
-2024-12-04 10:06:29,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,100 - INFO - moving on ...
-2024-12-04 10:06:29,100 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:29,100 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:29,100 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:29,100 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,100 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:29,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,101 - INFO - number of orbitals:  22
-2024-12-04 10:06:29,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,101 - INFO - moving on ...
-2024-12-04 10:06:29,101 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:29,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,102 - INFO - number of orbitals:  79
-2024-12-04 10:06:29,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,102 - INFO - moving on ...
-2024-12-04 10:06:29,102 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:29,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,103 - INFO - number of orbitals:  45
-2024-12-04 10:06:29,103 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,103 - INFO - moving on ...
-2024-12-04 10:06:29,103 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:29,103 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:29,103 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:29,103 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,104 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:29,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,105 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,105 - INFO - moving on ...
-2024-12-04 10:06:29,105 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:29,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,106 - INFO - number of orbitals:  110
-2024-12-04 10:06:29,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,106 - INFO - moving on ...
-2024-12-04 10:06:29,106 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:29,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,107 - INFO - number of orbitals:  60
-2024-12-04 10:06:29,107 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,107 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,107 - INFO - moving on ...
-2024-12-04 10:06:29,107 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:29,107 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:29,107 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:29,107 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,107 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:29,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,108 - INFO - number of orbitals:  70
-2024-12-04 10:06:29,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,108 - INFO - moving on ...
-2024-12-04 10:06:29,108 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:29,108 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:29,108 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:29,109 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,109 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:29,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,110 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,110 - INFO - moving on ...
-2024-12-04 10:06:29,110 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:29,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,111 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,111 - INFO - moving on ...
-2024-12-04 10:06:29,111 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:29,111 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:29,111 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:29,111 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,111 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:29,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,112 - INFO - number of orbitals:  32
-2024-12-04 10:06:29,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,112 - INFO - moving on ...
-2024-12-04 10:06:29,112 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:29,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,113 - INFO - number of orbitals:  64
-2024-12-04 10:06:29,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,114 - INFO - moving on ...
-2024-12-04 10:06:29,114 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:29,114 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:29,114 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:29,114 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,114 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:29,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,115 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,115 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,115 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,115 - INFO - moving on ...
-2024-12-04 10:06:29,115 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:29,115 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:29,115 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:29,115 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,115 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:29,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,116 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,116 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,116 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,116 - INFO - moving on ...
-2024-12-04 10:06:29,116 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:29,117 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:29,117 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:29,117 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,117 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:29,117 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,117 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,117 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,118 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,118 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,119 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:29,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:29,119 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:29,129 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,129 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,129 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:29,129 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,129 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,129 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,131 - INFO - number of orbitals:  30
-2024-12-04 10:06:29,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,131 - INFO - moving on ...
-2024-12-04 10:06:29,131 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:29,131 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,131 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,131 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,133 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,133 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,133 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:29,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:29,133 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:29,143 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,143 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,143 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:29,143 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,143 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,143 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,145 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,145 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,145 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,145 - INFO - moving on ...
-2024-12-04 10:06:29,145 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:29,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,147 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,147 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,147 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:29,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:29,147 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:29,157 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,157 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,157 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:29,157 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,157 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,157 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,159 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,159 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,159 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,159 - INFO - moving on ...
-2024-12-04 10:06:29,159 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:29,159 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,159 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,159 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,161 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,161 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,161 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:29,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:29,161 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:29,171 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,171 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,171 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:29,171 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,171 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,171 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,173 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,173 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,173 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,173 - INFO - moving on ...
-2024-12-04 10:06:29,173 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:29,173 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:29,173 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:29,173 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,173 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:29,173 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,173 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,173 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,175 - INFO - number of orbitals:  42
-2024-12-04 10:06:29,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,175 - INFO - moving on ...
-2024-12-04 10:06:29,175 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:29,175 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,175 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,175 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,176 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,177 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,177 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:29,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:29,177 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:29,186 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,187 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,187 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:29,187 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,187 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,187 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,188 - INFO - number of orbitals:  90
-2024-12-04 10:06:29,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,189 - INFO - moving on ...
-2024-12-04 10:06:29,189 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:29,189 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,189 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,189 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,190 - INFO - number of orbitals:  42
-2024-12-04 10:06:29,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,190 - INFO - moving on ...
-2024-12-04 10:06:29,190 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:29,190 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,190 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,190 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,192 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,192 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,192 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:29,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:29,192 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:29,202 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,203 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,203 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:29,203 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,203 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,203 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,204 - INFO - number of orbitals:  90
-2024-12-04 10:06:29,204 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,204 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,204 - INFO - moving on ...
-2024-12-04 10:06:29,205 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:29,205 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:29,205 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:29,205 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,205 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:29,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,206 - INFO - number of orbitals:  52
-2024-12-04 10:06:29,206 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,206 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,206 - INFO - moving on ...
-2024-12-04 10:06:29,206 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:29,206 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:29,206 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:29,206 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,206 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:29,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,207 - INFO - number of orbitals:  29
-2024-12-04 10:06:29,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,208 - INFO - moving on ...
-2024-12-04 10:06:29,208 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:29,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,209 - INFO - number of orbitals:  72
-2024-12-04 10:06:29,209 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,209 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,209 - INFO - moving on ...
-2024-12-04 10:06:29,209 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:29,209 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:29,209 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:29,209 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,209 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:29,209 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,209 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,209 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,211 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,211 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,211 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:29,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:29,211 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:29,221 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,221 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,221 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:29,221 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,221 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,221 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,223 - INFO - number of orbitals:  26
-2024-12-04 10:06:29,223 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,223 - INFO - moving on ...
-2024-12-04 10:06:29,223 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:29,223 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,223 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,223 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,224 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,224 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,224 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,224 - INFO - moving on ...
-2024-12-04 10:06:29,225 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:29,225 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,225 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,225 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,226 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,226 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,226 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,226 - INFO - moving on ...
-2024-12-04 10:06:29,226 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:29,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,228 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,228 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,228 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:29,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:29,228 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:29,238 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,238 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,238 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:29,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,239 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,240 - INFO - number of orbitals:  26
-2024-12-04 10:06:29,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,240 - INFO - moving on ...
-2024-12-04 10:06:29,240 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:29,240 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,241 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,241 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,242 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,242 - INFO - moving on ...
-2024-12-04 10:06:29,242 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:29,242 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,243 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,243 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,244 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,244 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,244 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,244 - INFO - moving on ...
-2024-12-04 10:06:29,244 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:29,244 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,246 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,246 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,246 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:29,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:29,246 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:29,256 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,256 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,256 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:29,256 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,256 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,256 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,258 - INFO - number of orbitals:  26
-2024-12-04 10:06:29,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,258 - INFO - moving on ...
-2024-12-04 10:06:29,258 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:29,258 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,258 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,258 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,260 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,260 - INFO - moving on ...
-2024-12-04 10:06:29,260 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:29,260 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,260 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,260 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,261 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,261 - INFO - moving on ...
-2024-12-04 10:06:29,262 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:29,262 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:29,262 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:29,262 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,262 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:29,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,263 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,263 - INFO - moving on ...
-2024-12-04 10:06:29,263 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:29,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,264 - INFO - number of orbitals:  118
-2024-12-04 10:06:29,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,264 - INFO - moving on ...
-2024-12-04 10:06:29,264 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:29,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,266 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,266 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,266 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,266 - INFO - moving on ...
-2024-12-04 10:06:29,266 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:29,266 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:29,266 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:29,266 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,266 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:29,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,267 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,267 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,267 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,267 - INFO - moving on ...
-2024-12-04 10:06:29,267 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:29,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,268 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,268 - INFO - moving on ...
-2024-12-04 10:06:29,268 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:29,269 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:29,269 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:29,269 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,269 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:29,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,270 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,270 - INFO - moving on ...
-2024-12-04 10:06:29,270 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:29,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,271 - INFO - number of orbitals:  118
-2024-12-04 10:06:29,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,271 - INFO - moving on ...
-2024-12-04 10:06:29,271 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:29,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,272 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,273 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,273 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,273 - INFO - moving on ...
-2024-12-04 10:06:29,273 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:29,273 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:29,273 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:29,273 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,273 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:29,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,274 - INFO - number of orbitals:  38
-2024-12-04 10:06:29,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,274 - INFO - moving on ...
-2024-12-04 10:06:29,274 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:29,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,275 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,275 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,275 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,275 - INFO - moving on ...
-2024-12-04 10:06:29,275 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:29,276 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:29,276 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:29,276 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,276 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:29,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,276 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,276 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,277 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,278 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,278 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:29,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:29,278 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:29,288 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,288 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,289 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:29,289 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,289 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,289 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,290 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,291 - INFO - moving on ...
-2024-12-04 10:06:29,291 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:29,291 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,291 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,291 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,292 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,292 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,292 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:29,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:29,292 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:29,302 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,303 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,303 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:29,303 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,303 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,303 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,304 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,305 - INFO - moving on ...
-2024-12-04 10:06:29,305 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:29,305 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,305 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,305 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,306 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,306 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,306 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:29,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:29,306 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:29,316 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,316 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,316 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:29,316 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,317 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,317 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,318 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,318 - INFO - moving on ...
-2024-12-04 10:06:29,318 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:29,319 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:29,319 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:29,319 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,319 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:29,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,320 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,320 - INFO - moving on ...
-2024-12-04 10:06:29,320 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:29,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,321 - INFO - number of orbitals:  135
-2024-12-04 10:06:29,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,321 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,321 - INFO - moving on ...
-2024-12-04 10:06:29,321 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:29,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,322 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,322 - INFO - moving on ...
-2024-12-04 10:06:29,322 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:29,323 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:29,323 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:29,323 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,323 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:29,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,324 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,324 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,324 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,324 - INFO - moving on ...
-2024-12-04 10:06:29,324 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:29,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,325 - INFO - number of orbitals:  110
-2024-12-04 10:06:29,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,325 - INFO - moving on ...
-2024-12-04 10:06:29,325 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:29,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,326 - INFO - number of orbitals:  60
-2024-12-04 10:06:29,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,326 - INFO - moving on ...
-2024-12-04 10:06:29,326 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:29,326 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:29,327 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:29,327 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,327 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:29,327 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,327 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,327 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,328 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,328 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,328 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:29,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:29,328 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:29,339 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,339 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,339 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:29,339 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,339 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,339 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,341 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,341 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,341 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:29,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:29,341 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:29,351 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,351 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,352 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:29,352 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,352 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,352 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,353 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,354 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,354 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:29,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:29,354 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:29,364 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,364 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,364 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:29,364 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,365 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,365 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,366 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,366 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,366 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:29,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:29,367 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:29,377 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,377 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,377 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:29,377 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,377 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,377 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,379 - INFO - number of orbitals:  33
-2024-12-04 10:06:29,379 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,379 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,379 - INFO - moving on ...
-2024-12-04 10:06:29,379 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:29,379 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,379 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,379 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,381 - INFO - number of orbitals:  23
-2024-12-04 10:06:29,381 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,381 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,381 - INFO - moving on ...
-2024-12-04 10:06:29,381 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:29,381 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,381 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,381 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,383 - INFO - number of orbitals:  45
-2024-12-04 10:06:29,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,383 - INFO - moving on ...
-2024-12-04 10:06:29,383 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:29,383 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,383 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,383 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,385 - INFO - number of orbitals:  21
-2024-12-04 10:06:29,385 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,385 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,385 - INFO - moving on ...
-2024-12-04 10:06:29,385 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:29,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,385 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,385 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,386 - INFO - number of orbitals:  42
-2024-12-04 10:06:29,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,387 - INFO - moving on ...
-2024-12-04 10:06:29,387 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:29,387 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:29,387 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:29,387 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,387 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:29,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,388 - INFO - number of orbitals:  32
-2024-12-04 10:06:29,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,388 - INFO - moving on ...
-2024-12-04 10:06:29,388 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:29,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,389 - INFO - number of orbitals:  114
-2024-12-04 10:06:29,389 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,389 - INFO - moving on ...
-2024-12-04 10:06:29,389 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:29,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,390 - INFO - number of orbitals:  64
-2024-12-04 10:06:29,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,390 - INFO - moving on ...
-2024-12-04 10:06:29,390 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:29,391 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:29,391 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:29,391 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,391 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:29,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,392 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,392 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,392 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:29,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:29,392 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:29,402 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,402 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,402 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:29,402 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:29,402 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:29,402 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,402 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:29,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,403 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,404 - INFO - moving on ...
-2024-12-04 10:06:29,404 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:29,404 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:29,404 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:29,404 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,404 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:29,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,405 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,405 - INFO - moving on ...
-2024-12-04 10:06:29,405 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:29,405 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:29,405 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:29,405 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,405 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:29,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,406 - INFO - number of orbitals:  38
-2024-12-04 10:06:29,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,407 - INFO - moving on ...
-2024-12-04 10:06:29,407 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:29,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,408 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,408 - INFO - moving on ...
-2024-12-04 10:06:29,408 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:29,408 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:29,408 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:29,408 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,408 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:29,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,409 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,409 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,409 - INFO - moving on ...
-2024-12-04 10:06:29,409 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:29,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,410 - INFO - number of orbitals:  118
-2024-12-04 10:06:29,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,411 - INFO - moving on ...
-2024-12-04 10:06:29,411 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:29,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,412 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,412 - INFO - moving on ...
-2024-12-04 10:06:29,412 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:29,412 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:29,412 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:29,412 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,412 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:29,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,413 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,413 - INFO - moving on ...
-2024-12-04 10:06:29,413 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:29,413 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:29,413 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:29,413 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,413 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:29,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,415 - INFO - number of orbitals:  48
-2024-12-04 10:06:29,415 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,415 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,415 - INFO - moving on ...
-2024-12-04 10:06:29,415 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:29,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,416 - INFO - number of orbitals:  116
-2024-12-04 10:06:29,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,416 - INFO - moving on ...
-2024-12-04 10:06:29,416 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:29,416 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:29,416 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:29,416 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,416 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:29,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,417 - INFO - number of orbitals:  66
-2024-12-04 10:06:29,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,417 - INFO - moving on ...
-2024-12-04 10:06:29,417 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:29,417 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:29,417 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:29,418 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,418 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:29,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,419 - INFO - number of orbitals:  37
-2024-12-04 10:06:29,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,419 - INFO - moving on ...
-2024-12-04 10:06:29,419 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:29,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,420 - INFO - number of orbitals:  78
-2024-12-04 10:06:29,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,420 - INFO - moving on ...
-2024-12-04 10:06:29,420 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:29,420 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:29,420 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:29,420 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,420 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:29,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,421 - INFO - number of orbitals:  38
-2024-12-04 10:06:29,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,421 - INFO - moving on ...
-2024-12-04 10:06:29,422 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:29,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,423 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,423 - INFO - moving on ...
-2024-12-04 10:06:29,423 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:29,423 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:29,423 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:29,423 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,423 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:29,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,424 - INFO - number of orbitals:  30
-2024-12-04 10:06:29,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,424 - INFO - moving on ...
-2024-12-04 10:06:29,424 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:29,424 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:29,424 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:29,424 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,424 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:29,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,425 - INFO - number of orbitals:  33
-2024-12-04 10:06:29,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,426 - INFO - moving on ...
-2024-12-04 10:06:29,426 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:29,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,427 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,427 - INFO - moving on ...
-2024-12-04 10:06:29,427 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:29,427 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:29,427 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:29,427 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,427 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:29,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,428 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,428 - INFO - moving on ...
-2024-12-04 10:06:29,428 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:29,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,429 - INFO - number of orbitals:  86
-2024-12-04 10:06:29,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,429 - INFO - moving on ...
-2024-12-04 10:06:29,429 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:29,430 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:29,430 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:29,430 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,430 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:29,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,431 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,431 - INFO - number of supporting files: 2
-2024-12-04 10:06:29,431 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:29,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:29,431 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:29,441 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,441 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,441 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:29,441 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:29,441 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:29,441 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:29,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,442 - INFO - number of orbitals:  85
-2024-12-04 10:06:29,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,442 - INFO - moving on ...
-2024-12-04 10:06:29,442 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:29,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,444 - INFO - number of orbitals:  44
-2024-12-04 10:06:29,444 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,444 - INFO - moving on ...
-2024-12-04 10:06:29,444 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:29,444 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:29,444 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:29,444 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,444 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:29,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,445 - INFO - number of orbitals:  33
-2024-12-04 10:06:29,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,445 - INFO - moving on ...
-2024-12-04 10:06:29,445 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:29,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,446 - INFO - number of orbitals:  74
-2024-12-04 10:06:29,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,446 - INFO - moving on ...
-2024-12-04 10:06:29,446 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:29,446 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:29,446 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:29,446 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,446 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:29,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,447 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,447 - INFO - moving on ...
-2024-12-04 10:06:29,448 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:29,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,449 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,449 - INFO - moving on ...
-2024-12-04 10:06:29,449 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:29,449 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:29,449 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:29,449 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,449 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:29,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,451 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,451 - INFO - moving on ...
-2024-12-04 10:06:29,451 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:29,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,452 - INFO - number of orbitals:  46
-2024-12-04 10:06:29,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,453 - INFO - moving on ...
-2024-12-04 10:06:29,453 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:29,453 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,453 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,453 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,454 - INFO - number of orbitals:  46
-2024-12-04 10:06:29,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,454 - INFO - moving on ...
-2024-12-04 10:06:29,454 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:29,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,455 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,456 - INFO - number of orbitals:  30
-2024-12-04 10:06:29,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,456 - INFO - moving on ...
-2024-12-04 10:06:29,456 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:29,456 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:29,456 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:29,456 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,456 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:29,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,457 - INFO - number of orbitals:  48
-2024-12-04 10:06:29,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,458 - INFO - moving on ...
-2024-12-04 10:06:29,458 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:29,458 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:29,458 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:29,458 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,458 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:29,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,459 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,459 - INFO - number of supporting files: 2
-2024-12-04 10:06:29,459 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:29,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:29,459 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:29,469 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,469 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,469 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:29,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:29,469 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:29,469 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:29,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,470 - INFO - number of orbitals:  85
-2024-12-04 10:06:29,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,470 - INFO - moving on ...
-2024-12-04 10:06:29,470 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:29,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,472 - INFO - number of orbitals:  44
-2024-12-04 10:06:29,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,472 - INFO - moving on ...
-2024-12-04 10:06:29,472 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:29,472 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:29,472 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:29,472 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,472 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:29,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,473 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,473 - INFO - moving on ...
-2024-12-04 10:06:29,473 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:29,473 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:29,473 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:29,473 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,473 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:29,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,474 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,475 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,475 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,475 - INFO - moving on ...
-2024-12-04 10:06:29,475 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:29,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,476 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,476 - INFO - moving on ...
-2024-12-04 10:06:29,476 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:29,476 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:29,476 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:29,476 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,476 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:29,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,477 - INFO - number of orbitals:  24
-2024-12-04 10:06:29,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,477 - INFO - moving on ...
-2024-12-04 10:06:29,477 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:29,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,478 - INFO - number of orbitals:  115
-2024-12-04 10:06:29,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,478 - INFO - moving on ...
-2024-12-04 10:06:29,478 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:29,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,480 - INFO - number of orbitals:  58
-2024-12-04 10:06:29,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,480 - INFO - moving on ...
-2024-12-04 10:06:29,480 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:29,480 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:29,480 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:29,480 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,480 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:29,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,481 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,481 - INFO - moving on ...
-2024-12-04 10:06:29,481 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:29,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,482 - INFO - number of orbitals:  119
-2024-12-04 10:06:29,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,482 - INFO - moving on ...
-2024-12-04 10:06:29,482 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:29,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,484 - INFO - number of orbitals:  62
-2024-12-04 10:06:29,484 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,484 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,484 - INFO - moving on ...
-2024-12-04 10:06:29,484 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:29,484 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:29,484 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:29,484 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,484 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:29,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,485 - INFO - number of orbitals:  69
-2024-12-04 10:06:29,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,485 - INFO - moving on ...
-2024-12-04 10:06:29,485 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:29,485 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:29,485 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:29,485 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,485 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:29,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,487 - INFO - number of orbitals:  46
-2024-12-04 10:06:29,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,487 - INFO - moving on ...
-2024-12-04 10:06:29,487 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:29,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,488 - INFO - number of orbitals:  94
-2024-12-04 10:06:29,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-04 10:06:29,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,488 - INFO - moving on ...
-2024-12-04 10:06:29,488 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:29,488 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:29,488 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:29,488 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,488 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:29,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,489 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,490 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,490 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:29,490 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:29,490 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:29,500 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,500 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,500 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:29,501 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:29,501 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:29,501 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,501 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:29,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,502 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,502 - INFO - number of supporting files: 2
-2024-12-04 10:06:29,502 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:29,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:29,503 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:29,513 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,513 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,513 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:29,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:29,513 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:29,513 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:29,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,515 - INFO - number of orbitals:  85
-2024-12-04 10:06:29,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,515 - INFO - moving on ...
-2024-12-04 10:06:29,515 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:29,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,516 - INFO - number of orbitals:  44
-2024-12-04 10:06:29,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,516 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,516 - INFO - moving on ...
-2024-12-04 10:06:29,516 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:29,516 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:29,516 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:29,516 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,517 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:29,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,518 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,518 - INFO - number of supporting files: 2
-2024-12-04 10:06:29,518 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 10:06:29,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 10:06:29,518 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 10:06:29,528 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,529 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,529 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 10:06:29,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 10:06:29,529 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:29,529 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:29,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,530 - INFO - number of orbitals:  115
-2024-12-04 10:06:29,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,530 - INFO - moving on ...
-2024-12-04 10:06:29,530 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:29,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,532 - INFO - number of orbitals:  58
-2024-12-04 10:06:29,532 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,532 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,532 - INFO - moving on ...
-2024-12-04 10:06:29,532 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:29,532 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:29,532 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:29,532 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,532 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:29,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,533 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,533 - INFO - moving on ...
-2024-12-04 10:06:29,533 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:29,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,535 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,535 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,535 - INFO - moving on ...
-2024-12-04 10:06:29,535 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:29,535 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:29,535 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:29,535 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,535 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:29,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,536 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,536 - INFO - number of supporting files: 2
-2024-12-04 10:06:29,536 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 10:06:29,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 10:06:29,536 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 10:06:29,547 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,547 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,547 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 10:06:29,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 10:06:29,547 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:29,547 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:29,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,548 - INFO - number of orbitals:  115
-2024-12-04 10:06:29,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,549 - INFO - moving on ...
-2024-12-04 10:06:29,549 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:29,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,550 - INFO - number of orbitals:  58
-2024-12-04 10:06:29,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,550 - INFO - moving on ...
-2024-12-04 10:06:29,550 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:29,550 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:29,550 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:29,550 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,550 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:29,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,551 - INFO - number of orbitals:  33
-2024-12-04 10:06:29,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,551 - INFO - moving on ...
-2024-12-04 10:06:29,551 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:29,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,553 - INFO - number of orbitals:  74
-2024-12-04 10:06:29,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,553 - INFO - moving on ...
-2024-12-04 10:06:29,553 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:29,553 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:29,553 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:29,553 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,553 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:29,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,554 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,554 - INFO - number of supporting files: 2
-2024-12-04 10:06:29,554 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 10:06:29,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 10:06:29,554 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 10:06:29,565 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,565 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,565 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 10:06:29,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 10:06:29,565 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:29,565 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:29,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,567 - INFO - number of orbitals:  89
-2024-12-04 10:06:29,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,567 - INFO - moving on ...
-2024-12-04 10:06:29,567 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:29,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,568 - INFO - number of orbitals:  48
-2024-12-04 10:06:29,568 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,568 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,568 - INFO - moving on ...
-2024-12-04 10:06:29,568 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:29,568 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:29,569 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:29,569 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,569 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:29,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,570 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,570 - INFO - moving on ...
-2024-12-04 10:06:29,570 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:29,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,571 - INFO - number of orbitals:  110
-2024-12-04 10:06:29,571 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,571 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,571 - INFO - moving on ...
-2024-12-04 10:06:29,571 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:29,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,572 - INFO - number of orbitals:  60
-2024-12-04 10:06:29,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,572 - INFO - moving on ...
-2024-12-04 10:06:29,572 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:29,573 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:29,573 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:29,573 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,573 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:29,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,574 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,574 - INFO - moving on ...
-2024-12-04 10:06:29,574 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:29,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,575 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,575 - INFO - moving on ...
-2024-12-04 10:06:29,575 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:29,575 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:29,576 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:29,576 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,576 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:29,576 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,576 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,576 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,577 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,577 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,577 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:29,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:29,578 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:29,588 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,588 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,588 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:29,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,588 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,588 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,590 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,590 - INFO - moving on ...
-2024-12-04 10:06:29,590 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:29,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,592 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,592 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,592 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:29,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:29,592 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:29,602 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,602 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,603 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:29,603 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,604 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,605 - INFO - moving on ...
-2024-12-04 10:06:29,605 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:29,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,605 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,605 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,606 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,606 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,606 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:29,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:29,606 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:29,616 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,617 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,617 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:29,617 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,619 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,619 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,619 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,619 - INFO - moving on ...
-2024-12-04 10:06:29,619 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:29,619 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:29,619 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:29,619 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,619 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:29,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,620 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,620 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,620 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,620 - INFO - moving on ...
-2024-12-04 10:06:29,620 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:29,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,622 - INFO - number of orbitals:  118
-2024-12-04 10:06:29,622 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,622 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,622 - INFO - moving on ...
-2024-12-04 10:06:29,622 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:29,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,623 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,623 - INFO - moving on ...
-2024-12-04 10:06:29,623 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:29,623 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:29,623 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:29,623 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,623 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:29,623 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,625 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,625 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,625 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,625 - INFO - moving on ...
-2024-12-04 10:06:29,625 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:29,625 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,625 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,626 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,627 - INFO - number of orbitals:  46
-2024-12-04 10:06:29,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,627 - INFO - moving on ...
-2024-12-04 10:06:29,627 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:29,627 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,627 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,627 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,629 - INFO - number of orbitals:  46
-2024-12-04 10:06:29,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,629 - INFO - moving on ...
-2024-12-04 10:06:29,629 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:29,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,631 - INFO - number of orbitals:  30
-2024-12-04 10:06:29,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,631 - INFO - moving on ...
-2024-12-04 10:06:29,631 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:29,631 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:29,631 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:29,631 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,631 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:29,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,632 - INFO - number of orbitals:  48
-2024-12-04 10:06:29,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,633 - INFO - moving on ...
-2024-12-04 10:06:29,633 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:29,633 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:29,633 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:29,633 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,633 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:29,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,634 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,634 - INFO - moving on ...
-2024-12-04 10:06:29,634 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:29,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,635 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,635 - INFO - moving on ...
-2024-12-04 10:06:29,635 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:29,635 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:29,635 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:29,636 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,636 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:29,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,637 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,637 - INFO - moving on ...
-2024-12-04 10:06:29,637 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:29,637 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:29,637 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:29,637 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,637 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:29,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,638 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,638 - INFO - moving on ...
-2024-12-04 10:06:29,638 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:29,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,639 - INFO - number of orbitals:  110
-2024-12-04 10:06:29,639 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,639 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,639 - INFO - moving on ...
-2024-12-04 10:06:29,639 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:29,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,641 - INFO - number of orbitals:  60
-2024-12-04 10:06:29,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,641 - INFO - moving on ...
-2024-12-04 10:06:29,641 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:29,641 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:29,641 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:29,641 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,641 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:29,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,642 - INFO - number of orbitals:  42
-2024-12-04 10:06:29,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,642 - INFO - moving on ...
-2024-12-04 10:06:29,642 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:29,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,643 - INFO - number of orbitals:  90
-2024-12-04 10:06:29,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,643 - INFO - moving on ...
-2024-12-04 10:06:29,644 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:29,644 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:29,644 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:29,644 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,644 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:29,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,645 - INFO - number of orbitals:  30
-2024-12-04 10:06:29,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,645 - INFO - moving on ...
-2024-12-04 10:06:29,645 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:29,646 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:29,646 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:29,646 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,646 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:29,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,646 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,648 - INFO - number of orbitals:  55
-2024-12-04 10:06:29,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,648 - INFO - moving on ...
-2024-12-04 10:06:29,648 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:29,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,650 - INFO - number of orbitals:  70
-2024-12-04 10:06:29,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,650 - INFO - moving on ...
-2024-12-04 10:06:29,650 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:29,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,650 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,650 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,652 - INFO - number of orbitals:  55
-2024-12-04 10:06:29,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,652 - INFO - moving on ...
-2024-12-04 10:06:29,652 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:29,652 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,652 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,652 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,653 - INFO - number of orbitals:  69
-2024-12-04 10:06:29,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,654 - INFO - moving on ...
-2024-12-04 10:06:29,654 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:29,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,655 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,655 - INFO - moving on ...
-2024-12-04 10:06:29,656 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:29,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,657 - INFO - number of orbitals:  45
-2024-12-04 10:06:29,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,657 - INFO - moving on ...
-2024-12-04 10:06:29,657 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:29,657 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,657 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,657 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,659 - INFO - number of orbitals:  55
-2024-12-04 10:06:29,659 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,659 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,659 - INFO - moving on ...
-2024-12-04 10:06:29,659 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:29,659 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,659 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,659 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,661 - INFO - number of orbitals:  69
-2024-12-04 10:06:29,661 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,661 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,661 - INFO - moving on ...
-2024-12-04 10:06:29,661 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:29,661 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,662 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,663 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,663 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,663 - INFO - moving on ...
-2024-12-04 10:06:29,663 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:29,663 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,663 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,663 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,664 - INFO - number of orbitals:  45
-2024-12-04 10:06:29,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,664 - INFO - moving on ...
-2024-12-04 10:06:29,664 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:29,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,665 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,665 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,666 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,666 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,666 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,666 - INFO - moving on ...
-2024-12-04 10:06:29,666 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:29,666 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,666 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,666 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,668 - INFO - number of orbitals:  45
-2024-12-04 10:06:29,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,668 - INFO - moving on ...
-2024-12-04 10:06:29,668 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:29,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,668 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,668 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,670 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,670 - INFO - moving on ...
-2024-12-04 10:06:29,670 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:29,670 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,670 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,670 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,671 - INFO - number of orbitals:  45
-2024-12-04 10:06:29,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,672 - INFO - moving on ...
-2024-12-04 10:06:29,672 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:29,672 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,672 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,672 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,673 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,673 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,673 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 10:06:29,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 10:06:29,673 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 10:06:29,684 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,684 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,684 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:29,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,686 - INFO - number of orbitals:  39
-2024-12-04 10:06:29,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,686 - INFO - moving on ...
-2024-12-04 10:06:29,686 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:29,686 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:29,686 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:29,686 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,686 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:29,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,688 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,688 - INFO - number of supporting files: 2
-2024-12-04 10:06:29,688 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 10:06:29,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 10:06:29,688 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 10:06:29,698 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,698 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,698 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 10:06:29,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 10:06:29,698 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:29,698 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:29,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,700 - INFO - number of orbitals:  79
-2024-12-04 10:06:29,700 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,700 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,700 - INFO - moving on ...
-2024-12-04 10:06:29,700 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:29,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,701 - INFO - number of orbitals:  45
-2024-12-04 10:06:29,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,701 - INFO - moving on ...
-2024-12-04 10:06:29,701 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:29,701 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:29,701 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:29,701 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,701 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:29,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,703 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,703 - INFO - moving on ...
-2024-12-04 10:06:29,703 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:29,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,704 - INFO - number of orbitals:  119
-2024-12-04 10:06:29,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,704 - INFO - moving on ...
-2024-12-04 10:06:29,704 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:29,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,705 - INFO - number of orbitals:  62
-2024-12-04 10:06:29,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,705 - INFO - moving on ...
-2024-12-04 10:06:29,705 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:29,705 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:29,705 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:29,705 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,705 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:29,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,707 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,707 - INFO - moving on ...
-2024-12-04 10:06:29,707 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:29,707 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:29,707 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:29,707 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,707 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:29,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,708 - INFO - number of orbitals:  33
-2024-12-04 10:06:29,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,708 - INFO - moving on ...
-2024-12-04 10:06:29,708 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:29,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,709 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,709 - INFO - moving on ...
-2024-12-04 10:06:29,709 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:29,709 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:29,709 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:29,709 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,709 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:29,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,711 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,711 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,711 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:29,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:29,711 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:29,721 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,721 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,721 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:29,721 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:29,721 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:29,721 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,721 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:29,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,723 - INFO - number of orbitals:  66
-2024-12-04 10:06:29,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,723 - INFO - moving on ...
-2024-12-04 10:06:29,723 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:29,723 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:29,723 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:29,723 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,723 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:29,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,724 - INFO - number of orbitals:  48
-2024-12-04 10:06:29,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,724 - INFO - moving on ...
-2024-12-04 10:06:29,725 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:29,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,726 - INFO - number of orbitals:  116
-2024-12-04 10:06:29,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,726 - INFO - moving on ...
-2024-12-04 10:06:29,726 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:29,726 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:29,726 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:29,726 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,726 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:29,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,727 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,727 - INFO - moving on ...
-2024-12-04 10:06:29,727 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:29,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,728 - INFO - number of orbitals:  110
-2024-12-04 10:06:29,728 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,728 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,729 - INFO - moving on ...
-2024-12-04 10:06:29,729 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:29,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,730 - INFO - number of orbitals:  60
-2024-12-04 10:06:29,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,730 - INFO - moving on ...
-2024-12-04 10:06:29,730 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:29,730 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:29,730 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:29,730 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,730 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:29,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,731 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,731 - INFO - moving on ...
-2024-12-04 10:06:29,731 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:29,732 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:29,732 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:29,732 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,732 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:29,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,733 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,733 - INFO - moving on ...
-2024-12-04 10:06:29,733 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:29,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,734 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,734 - INFO - moving on ...
-2024-12-04 10:06:29,734 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:29,734 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:29,734 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:29,734 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,734 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:29,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,735 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,735 - INFO - moving on ...
-2024-12-04 10:06:29,735 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:29,736 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:29,736 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:29,736 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,736 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:29,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,737 - INFO - number of orbitals:  47
-2024-12-04 10:06:29,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,737 - INFO - moving on ...
-2024-12-04 10:06:29,737 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:29,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,738 - INFO - number of orbitals:  106
-2024-12-04 10:06:29,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,738 - INFO - moving on ...
-2024-12-04 10:06:29,738 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:29,738 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:29,738 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:29,738 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,738 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:29,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,740 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,740 - INFO - moving on ...
-2024-12-04 10:06:29,740 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:29,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,741 - INFO - number of orbitals:  118
-2024-12-04 10:06:29,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,741 - INFO - moving on ...
-2024-12-04 10:06:29,741 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:29,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,742 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,742 - INFO - moving on ...
-2024-12-04 10:06:29,742 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:29,742 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:29,742 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:29,742 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,742 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:29,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,743 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,743 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,743 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:29,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:29,744 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:29,754 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,754 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,754 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:29,754 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:29,754 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:29,754 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,754 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:29,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,756 - INFO - number of orbitals:  30
-2024-12-04 10:06:29,756 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,756 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,756 - INFO - moving on ...
-2024-12-04 10:06:29,756 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:29,756 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,756 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,756 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,758 - INFO - number of orbitals:  108
-2024-12-04 10:06:29,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,758 - INFO - moving on ...
-2024-12-04 10:06:29,758 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:29,758 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:29,758 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:29,758 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,758 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:29,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,760 - INFO - number of orbitals:  46
-2024-12-04 10:06:29,760 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,760 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,760 - INFO - moving on ...
-2024-12-04 10:06:29,760 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:29,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,761 - INFO - number of orbitals:  94
-2024-12-04 10:06:29,761 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,761 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,761 - INFO - moving on ...
-2024-12-04 10:06:29,761 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:29,761 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:29,761 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:29,761 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,761 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:29,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,762 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,762 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,762 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:29,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:29,762 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:29,772 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,773 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,773 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:29,773 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:29,773 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:29,773 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,773 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:29,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,774 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,774 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,774 - INFO - moving on ...
-2024-12-04 10:06:29,774 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:29,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,776 - INFO - number of orbitals:  86
-2024-12-04 10:06:29,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,776 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,776 - INFO - moving on ...
-2024-12-04 10:06:29,776 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:29,776 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:29,776 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:29,776 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,776 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:29,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,777 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,777 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,777 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,777 - INFO - moving on ...
-2024-12-04 10:06:29,777 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:29,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,778 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,778 - INFO - moving on ...
-2024-12-04 10:06:29,778 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:29,779 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:29,779 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:29,779 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,779 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:29,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,780 - INFO - number of orbitals:  58
-2024-12-04 10:06:29,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,780 - INFO - moving on ...
-2024-12-04 10:06:29,780 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:29,780 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:29,780 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:29,780 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,780 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:29,780 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,780 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,780 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,782 - INFO - number of orbitals:  42
-2024-12-04 10:06:29,782 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,782 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,782 - INFO - moving on ...
-2024-12-04 10:06:29,782 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:29,782 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,782 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,782 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,784 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,784 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,784 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:29,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:29,784 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:29,794 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,794 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,794 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:29,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,796 - INFO - number of orbitals:  90
-2024-12-04 10:06:29,797 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,797 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,797 - INFO - moving on ...
-2024-12-04 10:06:29,797 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:29,797 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,797 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,797 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,798 - INFO - number of orbitals:  42
-2024-12-04 10:06:29,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,798 - INFO - moving on ...
-2024-12-04 10:06:29,799 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:29,799 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,799 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,799 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,800 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,800 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,800 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:29,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:29,800 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:29,811 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,811 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,811 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:29,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,813 - INFO - number of orbitals:  90
-2024-12-04 10:06:29,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,813 - INFO - moving on ...
-2024-12-04 10:06:29,813 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:29,813 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:29,813 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:29,813 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,813 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:29,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,815 - INFO - number of orbitals:  37
-2024-12-04 10:06:29,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,815 - INFO - moving on ...
-2024-12-04 10:06:29,815 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:29,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,816 - INFO - number of orbitals:  78
-2024-12-04 10:06:29,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,816 - INFO - moving on ...
-2024-12-04 10:06:29,816 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:29,816 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:29,816 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:29,816 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,816 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:29,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,817 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,817 - INFO - moving on ...
-2024-12-04 10:06:29,817 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:29,818 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:29,818 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:29,818 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,818 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:29,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,819 - INFO - number of orbitals:  70
-2024-12-04 10:06:29,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,819 - INFO - moving on ...
-2024-12-04 10:06:29,819 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:29,819 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:29,819 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:29,819 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,819 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:29,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,820 - INFO - number of orbitals:  29
-2024-12-04 10:06:29,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,820 - INFO - moving on ...
-2024-12-04 10:06:29,820 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:29,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,822 - INFO - number of orbitals:  72
-2024-12-04 10:06:29,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,822 - INFO - moving on ...
-2024-12-04 10:06:29,822 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:29,822 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:29,822 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:29,822 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,822 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:29,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,823 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,823 - INFO - moving on ...
-2024-12-04 10:06:29,823 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:29,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,824 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,825 - INFO - moving on ...
-2024-12-04 10:06:29,825 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:29,825 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:29,825 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:29,825 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,825 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:29,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,826 - INFO - number of orbitals:  36
-2024-12-04 10:06:29,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,826 - INFO - moving on ...
-2024-12-04 10:06:29,826 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:29,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,827 - INFO - number of orbitals:  118
-2024-12-04 10:06:29,827 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,827 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,827 - INFO - moving on ...
-2024-12-04 10:06:29,827 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:29,828 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,829 - INFO - number of orbitals:  68
-2024-12-04 10:06:29,829 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,829 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,829 - INFO - moving on ...
-2024-12-04 10:06:29,829 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:29,829 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:29,829 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:29,829 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,829 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:29,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,830 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,830 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,830 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,830 - INFO - moving on ...
-2024-12-04 10:06:29,830 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:29,830 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:29,830 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:29,830 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,830 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:29,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,831 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,831 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,831 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,831 - INFO - moving on ...
-2024-12-04 10:06:29,832 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:29,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,833 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,833 - INFO - moving on ...
-2024-12-04 10:06:29,833 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:29,833 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:29,833 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:29,833 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,833 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:29,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,834 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,834 - INFO - moving on ...
-2024-12-04 10:06:29,834 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:29,834 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:29,834 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:29,834 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,834 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:29,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,835 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,835 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,835 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,835 - INFO - moving on ...
-2024-12-04 10:06:29,836 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:29,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,837 - INFO - number of orbitals:  135
-2024-12-04 10:06:29,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,837 - INFO - moving on ...
-2024-12-04 10:06:29,837 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:29,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,838 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,838 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,838 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,838 - INFO - moving on ...
-2024-12-04 10:06:29,838 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:29,838 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:29,838 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:29,838 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,838 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:29,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,839 - INFO - number of orbitals:  28
-2024-12-04 10:06:29,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,839 - INFO - moving on ...
-2024-12-04 10:06:29,839 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:29,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,840 - INFO - number of orbitals:  110
-2024-12-04 10:06:29,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,841 - INFO - moving on ...
-2024-12-04 10:06:29,841 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:29,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,842 - INFO - number of orbitals:  60
-2024-12-04 10:06:29,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,842 - INFO - moving on ...
-2024-12-04 10:06:29,842 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:29,842 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:29,842 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:29,842 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,842 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:29,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,843 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,843 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,843 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,843 - INFO - moving on ...
-2024-12-04 10:06:29,843 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:29,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,844 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,844 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,844 - INFO - moving on ...
-2024-12-04 10:06:29,844 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:29,845 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:29,845 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:29,845 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,845 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:29,845 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,845 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,847 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,847 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,847 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:29,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:29,847 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:29,856 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,857 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,857 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:29,857 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,857 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,857 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,859 - INFO - number of orbitals:  30
-2024-12-04 10:06:29,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,859 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,859 - INFO - moving on ...
-2024-12-04 10:06:29,859 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:29,859 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,859 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,859 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,860 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,860 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,861 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:29,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:29,861 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:29,871 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,871 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,871 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:29,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,874 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,874 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,874 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,874 - INFO - moving on ...
-2024-12-04 10:06:29,874 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:29,874 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,874 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,874 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,876 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,876 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,876 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:29,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:29,876 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:29,886 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,891 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,891 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:29,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,893 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,894 - INFO - moving on ...
-2024-12-04 10:06:29,894 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:29,894 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,894 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,894 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,896 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,896 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,896 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:29,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:29,896 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:29,906 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,906 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,906 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:29,906 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,906 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,906 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,908 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,908 - INFO - moving on ...
-2024-12-04 10:06:29,908 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:29,908 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:29,908 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:29,909 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,909 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:29,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,910 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,910 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,910 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:29,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:29,910 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:29,920 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,920 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,920 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:29,921 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:29,921 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:29,921 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,921 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:29,921 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,921 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,921 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,923 - INFO - number of orbitals:  45
-2024-12-04 10:06:29,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,923 - INFO - moving on ...
-2024-12-04 10:06:29,923 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:29,923 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,923 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,923 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,925 - INFO - number of orbitals:  53
-2024-12-04 10:06:29,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,925 - INFO - moving on ...
-2024-12-04 10:06:29,925 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:29,925 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,925 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,927 - INFO - number of orbitals:  58
-2024-12-04 10:06:29,927 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,927 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,927 - INFO - moving on ...
-2024-12-04 10:06:29,927 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:29,927 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,927 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,927 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,929 - INFO - number of orbitals:  44
-2024-12-04 10:06:29,929 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,929 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,929 - INFO - moving on ...
-2024-12-04 10:06:29,929 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:29,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,930 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,930 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,931 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,931 - INFO - moving on ...
-2024-12-04 10:06:29,931 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:29,931 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,932 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,932 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,933 - INFO - number of orbitals:  55
-2024-12-04 10:06:29,933 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,933 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,933 - INFO - moving on ...
-2024-12-04 10:06:29,933 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:29,933 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,933 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,933 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,935 - INFO - number of orbitals:  44
-2024-12-04 10:06:29,935 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,935 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,935 - INFO - moving on ...
-2024-12-04 10:06:29,935 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:29,935 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,935 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,935 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,937 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,937 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,937 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,937 - INFO - moving on ...
-2024-12-04 10:06:29,937 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:29,937 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,937 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,937 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,938 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,939 - INFO - number of orbitals:  55
-2024-12-04 10:06:29,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,939 - INFO - moving on ...
-2024-12-04 10:06:29,939 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:29,939 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:29,939 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:29,939 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,939 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:29,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,940 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,940 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,940 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,940 - INFO - moving on ...
-2024-12-04 10:06:29,940 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:29,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,942 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,942 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,942 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,942 - INFO - moving on ...
-2024-12-04 10:06:29,942 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:29,942 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:29,942 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:29,942 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,942 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:29,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,943 - INFO - number of orbitals:  38
-2024-12-04 10:06:29,943 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,943 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,943 - INFO - moving on ...
-2024-12-04 10:06:29,943 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:29,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,944 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,945 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,945 - INFO - moving on ...
-2024-12-04 10:06:29,945 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:29,945 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:29,945 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:29,945 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,945 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:29,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,946 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,946 - INFO - number of supporting files: 2
-2024-12-04 10:06:29,946 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:29,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:29,946 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:29,957 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,957 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,957 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:29,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:29,957 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:29,957 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:29,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,958 - INFO - number of orbitals:  55
-2024-12-04 10:06:29,958 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,958 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,959 - INFO - moving on ...
-2024-12-04 10:06:29,959 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:29,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,960 - INFO - number of orbitals:  30
-2024-12-04 10:06:29,960 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,960 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,960 - INFO - moving on ...
-2024-12-04 10:06:29,960 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:29,960 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:29,960 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:29,960 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,960 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:29,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,961 - INFO - number of orbitals:  69
-2024-12-04 10:06:29,961 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,961 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,961 - INFO - moving on ...
-2024-12-04 10:06:29,961 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:29,961 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:29,961 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:29,961 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,961 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:29,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,963 - INFO - number of orbitals:  31
-2024-12-04 10:06:29,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,963 - INFO - moving on ...
-2024-12-04 10:06:29,963 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:29,963 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:29,963 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:29,963 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,963 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:29,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,964 - INFO - number of orbitals:  76
-2024-12-04 10:06:29,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,964 - INFO - moving on ...
-2024-12-04 10:06:29,964 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:29,964 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:29,964 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:29,964 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,964 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:29,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,966 - INFO - number of orbitals:  38
-2024-12-04 10:06:29,966 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,966 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,966 - INFO - moving on ...
-2024-12-04 10:06:29,966 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:29,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,967 - INFO - number of orbitals:  90
-2024-12-04 10:06:29,967 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,967 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,967 - INFO - moving on ...
-2024-12-04 10:06:29,967 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:29,967 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:29,967 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:29,967 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,967 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:29,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,968 - INFO - number of orbitals:  54
-2024-12-04 10:06:29,968 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,968 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,968 - INFO - moving on ...
-2024-12-04 10:06:29,969 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:29,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,970 - INFO - number of orbitals:  135
-2024-12-04 10:06:29,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,970 - INFO - moving on ...
-2024-12-04 10:06:29,970 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:29,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,971 - INFO - number of orbitals:  88
-2024-12-04 10:06:29,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,971 - INFO - moving on ...
-2024-12-04 10:06:29,971 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:29,971 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:29,971 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:29,972 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:29,972 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:29,972 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,972 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,972 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,973 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,973 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,973 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:29,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:29,973 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:29,984 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,984 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,984 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:29,984 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,984 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,984 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,986 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:29,986 - INFO - number of supporting files: 1
-2024-12-04 10:06:29,986 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:29,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:29,986 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:29,996 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:29,997 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:29,997 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:29,997 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,997 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,997 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:29,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:29,999 - INFO - number of orbitals:  34
-2024-12-04 10:06:29,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:29,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:29,999 - INFO - moving on ...
-2024-12-04 10:06:29,999 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:29,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:29,999 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:29,999 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,001 - INFO - number of orbitals:  36
-2024-12-04 10:06:30,001 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,001 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,001 - INFO - moving on ...
-2024-12-04 10:06:30,001 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:30,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,003 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,003 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,003 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:30,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:30,003 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:30,013 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,014 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,014 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:30,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,016 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,016 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,016 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:30,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:30,016 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:30,026 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,027 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,027 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:30,027 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,027 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,027 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,029 - INFO - number of orbitals:  34
-2024-12-04 10:06:30,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,029 - INFO - moving on ...
-2024-12-04 10:06:30,029 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:30,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,031 - INFO - number of orbitals:  36
-2024-12-04 10:06:30,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,031 - INFO - moving on ...
-2024-12-04 10:06:30,031 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:30,031 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,031 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,031 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,033 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,033 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,033 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:30,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:30,033 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:30,043 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,044 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,044 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:30,044 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,044 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,046 - INFO - number of orbitals:  28
-2024-12-04 10:06:30,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,046 - INFO - moving on ...
-2024-12-04 10:06:30,046 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:30,046 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,046 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,046 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,048 - INFO - number of orbitals:  34
-2024-12-04 10:06:30,048 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,048 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,048 - INFO - moving on ...
-2024-12-04 10:06:30,048 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:30,048 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,048 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,048 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,050 - INFO - number of orbitals:  36
-2024-12-04 10:06:30,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,050 - INFO - moving on ...
-2024-12-04 10:06:30,050 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:30,050 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:30,050 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:30,050 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,050 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:30,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,052 - INFO - number of orbitals:  32
-2024-12-04 10:06:30,052 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,052 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,052 - INFO - moving on ...
-2024-12-04 10:06:30,052 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:30,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,053 - INFO - number of orbitals:  114
-2024-12-04 10:06:30,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,053 - INFO - moving on ...
-2024-12-04 10:06:30,053 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:30,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,054 - INFO - number of orbitals:  64
-2024-12-04 10:06:30,054 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,054 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,054 - INFO - moving on ...
-2024-12-04 10:06:30,054 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:30,055 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:30,055 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:30,055 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,055 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:30,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,056 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,056 - INFO - moving on ...
-2024-12-04 10:06:30,056 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:30,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,057 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,057 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,057 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,057 - INFO - moving on ...
-2024-12-04 10:06:30,057 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:30,058 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:30,058 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:30,058 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,058 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:30,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,059 - INFO - number of orbitals:  69
-2024-12-04 10:06:30,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,060 - INFO - moving on ...
-2024-12-04 10:06:30,060 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:30,060 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,060 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,060 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,061 - INFO - number of orbitals:  70
-2024-12-04 10:06:30,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,061 - INFO - moving on ...
-2024-12-04 10:06:30,061 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:30,062 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,062 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,062 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,063 - INFO - number of orbitals:  69
-2024-12-04 10:06:30,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,063 - INFO - moving on ...
-2024-12-04 10:06:30,063 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:30,064 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:30,064 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:30,064 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,064 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:30,064 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,065 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,066 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,066 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:30,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:30,066 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:30,076 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,076 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,077 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:30,077 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,077 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,077 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,079 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,079 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,079 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:30,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:30,079 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:30,089 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,090 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,090 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:30,090 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,090 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,090 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,092 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,092 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,092 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:30,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:30,092 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:30,103 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,103 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,103 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:30,103 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,103 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,103 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,105 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,105 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,105 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:30,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:30,105 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:30,115 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,116 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,116 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:30,116 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,116 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,116 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,118 - INFO - number of orbitals:  33
-2024-12-04 10:06:30,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,118 - INFO - moving on ...
-2024-12-04 10:06:30,118 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:30,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,120 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,120 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,120 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 10:06:30,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 10:06:30,120 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 10:06:30,130 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,130 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,130 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:30,130 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,130 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,130 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,132 - INFO - number of orbitals:  45
-2024-12-04 10:06:30,132 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,132 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,132 - INFO - moving on ...
-2024-12-04 10:06:30,132 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:30,132 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,133 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,133 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,134 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,134 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,134 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 10:06:30,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 10:06:30,134 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 10:06:30,145 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,145 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,145 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:30,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,147 - INFO - number of orbitals:  42
-2024-12-04 10:06:30,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,147 - INFO - moving on ...
-2024-12-04 10:06:30,147 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:30,147 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:30,147 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:30,147 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,147 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:30,147 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,148 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,148 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,149 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,149 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,149 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:30,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:30,149 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:30,160 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,160 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,160 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:30,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,162 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,162 - INFO - number of orbitals:  26
-2024-12-04 10:06:30,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,162 - INFO - moving on ...
-2024-12-04 10:06:30,163 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:30,163 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,163 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,163 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,164 - INFO - number of orbitals:  68
-2024-12-04 10:06:30,164 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,164 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,164 - INFO - moving on ...
-2024-12-04 10:06:30,164 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:30,165 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,165 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,165 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,166 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,166 - INFO - moving on ...
-2024-12-04 10:06:30,166 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:30,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,167 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,168 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,168 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,168 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:30,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:30,168 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:30,179 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,179 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,179 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:30,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,181 - INFO - number of orbitals:  26
-2024-12-04 10:06:30,181 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,181 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,181 - INFO - moving on ...
-2024-12-04 10:06:30,181 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:30,181 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,181 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,181 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,183 - INFO - number of orbitals:  68
-2024-12-04 10:06:30,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,183 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,183 - INFO - moving on ...
-2024-12-04 10:06:30,183 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:30,183 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,183 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,183 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,185 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,185 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,185 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,185 - INFO - moving on ...
-2024-12-04 10:06:30,185 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:30,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,187 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,187 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,187 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:30,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:30,187 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:30,198 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,198 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,198 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:30,198 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,198 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,198 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,200 - INFO - number of orbitals:  26
-2024-12-04 10:06:30,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,200 - INFO - moving on ...
-2024-12-04 10:06:30,200 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:30,200 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,200 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,200 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,202 - INFO - number of orbitals:  68
-2024-12-04 10:06:30,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,202 - INFO - moving on ...
-2024-12-04 10:06:30,202 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:30,202 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,204 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,204 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,204 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,204 - INFO - moving on ...
-2024-12-04 10:06:30,204 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:30,204 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:30,204 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:30,204 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,204 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:30,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,206 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,206 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,206 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,206 - INFO - moving on ...
-2024-12-04 10:06:30,206 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:30,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,207 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,207 - INFO - moving on ...
-2024-12-04 10:06:30,207 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:30,207 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:30,207 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:30,207 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,207 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:30,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,208 - INFO - number of orbitals:  32
-2024-12-04 10:06:30,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,208 - INFO - moving on ...
-2024-12-04 10:06:30,209 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:30,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,210 - INFO - number of orbitals:  64
-2024-12-04 10:06:30,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,210 - INFO - moving on ...
-2024-12-04 10:06:30,210 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:30,210 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:30,210 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:30,210 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,210 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:30,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,211 - INFO - number of orbitals:  52
-2024-12-04 10:06:30,211 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,211 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,211 - INFO - moving on ...
-2024-12-04 10:06:30,211 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:30,211 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:30,211 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:30,211 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,211 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:30,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,213 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,213 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,213 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,213 - INFO - moving on ...
-2024-12-04 10:06:30,213 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:30,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,214 - INFO - number of orbitals:  135
-2024-12-04 10:06:30,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,214 - INFO - moving on ...
-2024-12-04 10:06:30,214 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:30,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,215 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,215 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,215 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,215 - INFO - moving on ...
-2024-12-04 10:06:30,215 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:30,215 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:30,215 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:30,215 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,215 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:30,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,217 - INFO - number of orbitals:  69
-2024-12-04 10:06:30,217 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,217 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,217 - INFO - moving on ...
-2024-12-04 10:06:30,217 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:30,217 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:30,217 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:30,217 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,217 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:30,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,218 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,218 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,218 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 10:06:30,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 10:06:30,218 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 10:06:30,229 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,229 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,229 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 10:06:30,229 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 10:06:30,229 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,229 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:30,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,231 - INFO - number of orbitals:  79
-2024-12-04 10:06:30,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,231 - INFO - moving on ...
-2024-12-04 10:06:30,231 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:30,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,232 - INFO - number of orbitals:  45
-2024-12-04 10:06:30,232 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,232 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,232 - INFO - moving on ...
-2024-12-04 10:06:30,232 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:30,233 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:30,233 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:30,233 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,233 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:30,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,234 - INFO - number of orbitals:  48
-2024-12-04 10:06:30,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,234 - INFO - moving on ...
-2024-12-04 10:06:30,234 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:30,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,235 - INFO - number of orbitals:  116
-2024-12-04 10:06:30,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,235 - INFO - moving on ...
-2024-12-04 10:06:30,236 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:30,236 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:30,236 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:30,236 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,236 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:30,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,237 - INFO - number of orbitals:  38
-2024-12-04 10:06:30,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,237 - INFO - moving on ...
-2024-12-04 10:06:30,238 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:30,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,239 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,239 - INFO - moving on ...
-2024-12-04 10:06:30,239 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:30,239 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:30,239 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:30,239 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,239 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:30,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,240 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,240 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,240 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:30,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:30,240 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:30,251 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,251 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,251 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:30,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:30,251 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,251 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:30,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,253 - INFO - number of orbitals:  85
-2024-12-04 10:06:30,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,253 - INFO - moving on ...
-2024-12-04 10:06:30,253 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:30,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,254 - INFO - number of orbitals:  44
-2024-12-04 10:06:30,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,254 - INFO - moving on ...
-2024-12-04 10:06:30,254 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:30,254 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:30,255 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:30,255 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,255 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:30,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,256 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,256 - INFO - moving on ...
-2024-12-04 10:06:30,256 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:30,256 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:30,256 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:30,256 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,256 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:30,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,258 - INFO - number of orbitals:  36
-2024-12-04 10:06:30,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,258 - INFO - moving on ...
-2024-12-04 10:06:30,258 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:30,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,259 - INFO - number of orbitals:  118
-2024-12-04 10:06:30,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,259 - INFO - moving on ...
-2024-12-04 10:06:30,259 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:30,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,260 - INFO - number of orbitals:  68
-2024-12-04 10:06:30,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,260 - INFO - moving on ...
-2024-12-04 10:06:30,260 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:30,260 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:30,261 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:30,261 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,261 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:30,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,262 - INFO - number of orbitals:  38
-2024-12-04 10:06:30,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,262 - INFO - moving on ...
-2024-12-04 10:06:30,262 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:30,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,263 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,263 - INFO - moving on ...
-2024-12-04 10:06:30,263 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:30,263 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:30,263 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:30,263 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,263 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:30,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,265 - INFO - number of orbitals:  28
-2024-12-04 10:06:30,265 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,265 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,265 - INFO - moving on ...
-2024-12-04 10:06:30,265 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:30,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,266 - INFO - number of orbitals:  119
-2024-12-04 10:06:30,266 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,266 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,266 - INFO - moving on ...
-2024-12-04 10:06:30,266 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:30,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,267 - INFO - number of orbitals:  62
-2024-12-04 10:06:30,267 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,267 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,267 - INFO - moving on ...
-2024-12-04 10:06:30,267 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:30,267 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:30,267 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:30,267 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,268 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:30,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,269 - INFO - number of orbitals:  28
-2024-12-04 10:06:30,269 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,269 - INFO - moving on ...
-2024-12-04 10:06:30,269 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:30,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,270 - INFO - number of orbitals:  110
-2024-12-04 10:06:30,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,270 - INFO - moving on ...
-2024-12-04 10:06:30,270 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:30,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,271 - INFO - number of orbitals:  60
-2024-12-04 10:06:30,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-04 10:06:30,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,271 - INFO - moving on ...
-2024-12-04 10:06:30,271 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:30,271 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:30,272 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:30,272 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,272 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:30,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,273 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,273 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,273 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,273 - INFO - moving on ...
-2024-12-04 10:06:30,273 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:30,273 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:30,273 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:30,273 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,273 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:30,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,274 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,274 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,274 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 10:06:30,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 10:06:30,274 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 10:06:30,284 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,284 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,285 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 10:06:30,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 10:06:30,285 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,285 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:30,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,286 - INFO - number of orbitals:  110
-2024-12-04 10:06:30,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,286 - INFO - moving on ...
-2024-12-04 10:06:30,286 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:30,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,287 - INFO - number of orbitals:  60
-2024-12-04 10:06:30,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,287 - INFO - moving on ...
-2024-12-04 10:06:30,287 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:30,288 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:30,288 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:30,288 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,288 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:30,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,289 - INFO - number of orbitals:  69
-2024-12-04 10:06:30,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,289 - INFO - moving on ...
-2024-12-04 10:06:30,289 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:30,289 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:30,289 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:30,289 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,289 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:30,289 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,289 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,291 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,291 - INFO - moving on ...
-2024-12-04 10:06:30,291 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:30,291 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,291 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,291 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,293 - INFO - number of orbitals:  46
-2024-12-04 10:06:30,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,293 - INFO - moving on ...
-2024-12-04 10:06:30,293 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:30,293 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,293 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,293 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,295 - INFO - number of orbitals:  46
-2024-12-04 10:06:30,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,295 - INFO - moving on ...
-2024-12-04 10:06:30,295 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:30,295 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,295 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,295 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,297 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,297 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,297 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 10:06:30,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 10:06:30,297 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 10:06:30,307 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,307 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,308 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:30,308 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:30,308 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:30,308 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,308 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:30,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,309 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,309 - INFO - moving on ...
-2024-12-04 10:06:30,309 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:30,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,310 - INFO - number of orbitals:  135
-2024-12-04 10:06:30,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,311 - INFO - moving on ...
-2024-12-04 10:06:30,311 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:30,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,312 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,312 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,312 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,312 - INFO - moving on ...
-2024-12-04 10:06:30,312 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:30,312 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:30,312 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:30,312 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,312 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:30,312 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,312 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,312 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,314 - INFO - number of orbitals:  69
-2024-12-04 10:06:30,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,314 - INFO - moving on ...
-2024-12-04 10:06:30,314 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:30,314 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,314 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,314 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,316 - INFO - number of orbitals:  70
-2024-12-04 10:06:30,316 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,316 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,316 - INFO - moving on ...
-2024-12-04 10:06:30,316 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:30,316 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,316 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,316 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,318 - INFO - number of orbitals:  69
-2024-12-04 10:06:30,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,318 - INFO - moving on ...
-2024-12-04 10:06:30,318 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:30,318 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:30,318 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:30,318 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,318 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:30,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,319 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,319 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,319 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 10:06:30,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 10:06:30,319 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 10:06:30,329 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,330 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,330 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 10:06:30,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 10:06:30,330 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,330 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:30,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,331 - INFO - number of orbitals:  110
-2024-12-04 10:06:30,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,331 - INFO - moving on ...
-2024-12-04 10:06:30,331 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:30,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,332 - INFO - number of orbitals:  60
-2024-12-04 10:06:30,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,333 - INFO - moving on ...
-2024-12-04 10:06:30,333 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:30,333 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:30,333 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:30,333 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,333 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:30,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,334 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,334 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,334 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 10:06:30,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 10:06:30,334 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 10:06:30,344 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,345 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,345 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 10:06:30,345 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 10:06:30,345 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,345 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:30,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,346 - INFO - number of orbitals:  110
-2024-12-04 10:06:30,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,346 - INFO - moving on ...
-2024-12-04 10:06:30,346 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:30,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,348 - INFO - number of orbitals:  60
-2024-12-04 10:06:30,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,348 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,348 - INFO - moving on ...
-2024-12-04 10:06:30,348 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:30,348 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:30,348 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:30,348 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,348 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:30,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,349 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,349 - INFO - moving on ...
-2024-12-04 10:06:30,349 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:30,349 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:30,349 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:30,349 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,350 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:30,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,351 - INFO - number of orbitals:  58
-2024-12-04 10:06:30,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,351 - INFO - moving on ...
-2024-12-04 10:06:30,351 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:30,351 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:30,351 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:30,351 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,351 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:30,351 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,351 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,351 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,353 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,353 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,353 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:30,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:30,353 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:30,363 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,363 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,363 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:30,363 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,363 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,363 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,365 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,365 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,365 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 10:06:30,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 10:06:30,365 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 10:06:30,375 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,375 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,375 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:30,375 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,376 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,376 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,378 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,378 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,378 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:30,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:30,378 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:30,388 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,388 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,388 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:30,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,389 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,389 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,390 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,391 - INFO - moving on ...
-2024-12-04 10:06:30,391 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:30,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,392 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,392 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,392 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:30,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:30,393 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:30,403 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,403 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,403 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:30,403 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,404 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,404 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,406 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,406 - INFO - moving on ...
-2024-12-04 10:06:30,406 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:30,406 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,406 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,406 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,408 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,408 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,408 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:30,408 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:30,408 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:30,418 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,419 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,419 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:30,419 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,421 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,421 - INFO - moving on ...
-2024-12-04 10:06:30,421 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:30,421 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:30,421 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:30,421 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,421 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:30,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,423 - INFO - number of orbitals:  66
-2024-12-04 10:06:30,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,423 - INFO - moving on ...
-2024-12-04 10:06:30,423 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:30,423 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:30,423 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:30,423 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,423 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:30,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,424 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,424 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,424 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:30,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:30,424 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:30,434 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,435 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,435 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:30,435 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:30,435 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:30,435 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,435 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:30,435 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,435 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,435 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,437 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,437 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,437 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 10:06:30,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 10:06:30,437 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 10:06:30,448 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,448 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,449 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:30,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,451 - INFO - number of orbitals:  108
-2024-12-04 10:06:30,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,451 - INFO - moving on ...
-2024-12-04 10:06:30,451 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:30,451 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:30,451 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:30,451 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,451 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:30,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,452 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,453 - INFO - moving on ...
-2024-12-04 10:06:30,453 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:30,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,454 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,454 - INFO - moving on ...
-2024-12-04 10:06:30,454 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:30,454 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:30,454 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:30,454 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,454 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:30,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,455 - INFO - number of orbitals:  38
-2024-12-04 10:06:30,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,455 - INFO - moving on ...
-2024-12-04 10:06:30,456 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:30,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,457 - INFO - number of orbitals:  90
-2024-12-04 10:06:30,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,457 - INFO - moving on ...
-2024-12-04 10:06:30,457 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:30,457 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:30,457 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:30,457 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,457 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:30,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,458 - INFO - number of orbitals:  47
-2024-12-04 10:06:30,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,458 - INFO - moving on ...
-2024-12-04 10:06:30,458 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:30,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,459 - INFO - number of orbitals:  106
-2024-12-04 10:06:30,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,460 - INFO - moving on ...
-2024-12-04 10:06:30,460 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:30,460 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:30,460 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:30,460 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,460 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:30,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,462 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,462 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,462 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:30,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:30,462 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:30,472 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,472 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,473 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:30,473 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,473 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,473 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,475 - INFO - number of orbitals:  34
-2024-12-04 10:06:30,475 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,475 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,475 - INFO - moving on ...
-2024-12-04 10:06:30,475 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:30,475 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,475 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,475 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,477 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,477 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,477 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:30,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:30,477 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:30,487 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,488 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,488 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:30,488 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,488 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,488 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,490 - INFO - number of orbitals:  36
-2024-12-04 10:06:30,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,490 - INFO - moving on ...
-2024-12-04 10:06:30,490 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:30,490 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,490 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,490 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,492 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,492 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,492 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:30,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:30,492 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:30,502 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,503 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,503 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:30,503 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,503 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,503 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,505 - INFO - number of orbitals:  34
-2024-12-04 10:06:30,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,505 - INFO - moving on ...
-2024-12-04 10:06:30,505 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:30,505 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:30,505 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:30,505 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,505 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:30,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,507 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,507 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,507 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 10:06:30,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 10:06:30,507 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 10:06:30,517 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,517 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,517 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 10:06:30,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 10:06:30,518 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,518 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:30,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,519 - INFO - number of orbitals:  110
-2024-12-04 10:06:30,519 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,519 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,519 - INFO - moving on ...
-2024-12-04 10:06:30,519 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:30,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,520 - INFO - number of orbitals:  60
-2024-12-04 10:06:30,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,520 - INFO - moving on ...
-2024-12-04 10:06:30,520 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:30,521 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:30,521 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:30,521 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,521 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:30,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,522 - INFO - number of orbitals:  69
-2024-12-04 10:06:30,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,522 - INFO - moving on ...
-2024-12-04 10:06:30,522 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:30,522 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:30,522 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:30,522 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,522 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:30,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,523 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,524 - INFO - moving on ...
-2024-12-04 10:06:30,524 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:30,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,525 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,525 - INFO - moving on ...
-2024-12-04 10:06:30,525 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:30,525 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:30,525 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:30,525 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,525 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:30,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,526 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,526 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,526 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,526 - INFO - moving on ...
-2024-12-04 10:06:30,526 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:30,527 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:30,527 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:30,527 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,527 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:30,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,528 - INFO - number of orbitals:  37
-2024-12-04 10:06:30,528 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,528 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,528 - INFO - moving on ...
-2024-12-04 10:06:30,528 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:30,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,529 - INFO - number of orbitals:  78
-2024-12-04 10:06:30,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,529 - INFO - moving on ...
-2024-12-04 10:06:30,529 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:30,529 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:30,529 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:30,529 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,529 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:30,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,531 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,531 - INFO - moving on ...
-2024-12-04 10:06:30,531 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:30,531 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:30,531 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:30,531 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,531 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:30,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,532 - INFO - number of orbitals:  36
-2024-12-04 10:06:30,532 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,532 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,532 - INFO - moving on ...
-2024-12-04 10:06:30,532 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:30,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,534 - INFO - number of orbitals:  118
-2024-12-04 10:06:30,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,534 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,534 - INFO - moving on ...
-2024-12-04 10:06:30,534 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:30,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,535 - INFO - number of orbitals:  68
-2024-12-04 10:06:30,535 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,535 - INFO - moving on ...
-2024-12-04 10:06:30,535 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:30,535 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:30,535 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:30,535 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,535 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:30,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,536 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,536 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,536 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 10:06:30,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 10:06:30,537 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 10:06:30,547 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,547 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,547 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 10:06:30,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 10:06:30,547 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,547 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:30,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,549 - INFO - number of orbitals:  119
-2024-12-04 10:06:30,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,549 - INFO - moving on ...
-2024-12-04 10:06:30,549 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:30,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,550 - INFO - number of orbitals:  62
-2024-12-04 10:06:30,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,550 - INFO - moving on ...
-2024-12-04 10:06:30,550 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:30,550 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:30,550 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:30,550 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,550 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:30,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,552 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,552 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,552 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:30,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:30,552 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:30,562 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,562 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,562 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:30,562 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:30,562 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:30,563 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,563 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:30,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,564 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,564 - INFO - moving on ...
-2024-12-04 10:06:30,564 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:30,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,565 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,565 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,565 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,565 - INFO - moving on ...
-2024-12-04 10:06:30,565 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:30,566 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:30,566 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:30,566 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,566 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:30,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,567 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,567 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,567 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:30,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:30,567 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:30,577 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,578 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,578 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:30,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:30,578 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,578 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:30,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,579 - INFO - number of orbitals:  55
-2024-12-04 10:06:30,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,579 - INFO - moving on ...
-2024-12-04 10:06:30,579 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:30,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,580 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,580 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,581 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 10:06:30,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 10:06:30,581 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 10:06:30,591 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,591 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,591 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 10:06:30,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 10:06:30,591 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,592 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:30,592 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:30,592 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:30,592 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,592 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:30,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,593 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,593 - INFO - moving on ...
-2024-12-04 10:06:30,593 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:30,593 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:30,594 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:30,594 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,594 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:30,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,595 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,595 - INFO - moving on ...
-2024-12-04 10:06:30,595 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:30,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,596 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,596 - INFO - moving on ...
-2024-12-04 10:06:30,596 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:30,596 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:30,596 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:30,596 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,596 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:30,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,598 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,598 - INFO - moving on ...
-2024-12-04 10:06:30,598 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:30,598 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:30,598 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:30,598 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,598 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:30,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,599 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,599 - INFO - moving on ...
-2024-12-04 10:06:30,599 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:30,599 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:30,600 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:30,600 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,600 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:30,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,601 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,601 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,601 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:30,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:30,601 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:30,611 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,612 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,612 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:30,612 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:30,612 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:30,612 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,612 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:30,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,613 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,614 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,614 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 10:06:30,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 10:06:30,614 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 10:06:30,624 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,624 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,624 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 10:06:30,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 10:06:30,624 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,624 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:30,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,626 - INFO - number of orbitals:  119
-2024-12-04 10:06:30,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,626 - INFO - moving on ...
-2024-12-04 10:06:30,626 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:30,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,627 - INFO - number of orbitals:  62
-2024-12-04 10:06:30,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,627 - INFO - moving on ...
-2024-12-04 10:06:30,627 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:30,628 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:30,628 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:30,628 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,628 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:30,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,629 - INFO - number of orbitals:  48
-2024-12-04 10:06:30,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,629 - INFO - moving on ...
-2024-12-04 10:06:30,629 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:30,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,630 - INFO - number of orbitals:  116
-2024-12-04 10:06:30,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,630 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,630 - INFO - moving on ...
-2024-12-04 10:06:30,631 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:30,631 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:30,631 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:30,631 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,631 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:30,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,632 - INFO - number of orbitals:  34
-2024-12-04 10:06:30,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,632 - INFO - moving on ...
-2024-12-04 10:06:30,632 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:30,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,633 - INFO - number of orbitals:  86
-2024-12-04 10:06:30,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,633 - INFO - moving on ...
-2024-12-04 10:06:30,633 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:30,634 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:30,634 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:30,634 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,634 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:30,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,635 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,635 - INFO - moving on ...
-2024-12-04 10:06:30,635 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:30,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,636 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,636 - INFO - moving on ...
-2024-12-04 10:06:30,636 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:30,637 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:30,637 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:30,637 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,637 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:30,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,637 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,637 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,639 - INFO - number of orbitals:  55
-2024-12-04 10:06:30,639 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,639 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,639 - INFO - moving on ...
-2024-12-04 10:06:30,639 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:30,639 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,639 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,639 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,641 - INFO - number of orbitals:  70
-2024-12-04 10:06:30,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,641 - INFO - moving on ...
-2024-12-04 10:06:30,641 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:30,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,643 - INFO - number of orbitals:  55
-2024-12-04 10:06:30,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,643 - INFO - moving on ...
-2024-12-04 10:06:30,643 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:30,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,644 - INFO - number of orbitals:  69
-2024-12-04 10:06:30,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,645 - INFO - moving on ...
-2024-12-04 10:06:30,645 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:30,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,646 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,646 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,646 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,646 - INFO - moving on ...
-2024-12-04 10:06:30,646 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:30,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,647 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,648 - INFO - number of orbitals:  45
-2024-12-04 10:06:30,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,648 - INFO - moving on ...
-2024-12-04 10:06:30,648 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:30,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,650 - INFO - number of orbitals:  55
-2024-12-04 10:06:30,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,650 - INFO - moving on ...
-2024-12-04 10:06:30,650 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:30,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,650 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,650 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,652 - INFO - number of orbitals:  69
-2024-12-04 10:06:30,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,652 - INFO - moving on ...
-2024-12-04 10:06:30,652 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:30,652 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,652 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,652 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,653 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,654 - INFO - moving on ...
-2024-12-04 10:06:30,654 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:30,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,655 - INFO - number of orbitals:  45
-2024-12-04 10:06:30,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,655 - INFO - moving on ...
-2024-12-04 10:06:30,655 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:30,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,657 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,657 - INFO - moving on ...
-2024-12-04 10:06:30,657 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:30,657 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,657 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,658 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,659 - INFO - number of orbitals:  45
-2024-12-04 10:06:30,659 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,659 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,659 - INFO - moving on ...
-2024-12-04 10:06:30,659 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:30,659 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,659 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,659 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,661 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,661 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,661 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,661 - INFO - moving on ...
-2024-12-04 10:06:30,661 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:30,661 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,663 - INFO - number of orbitals:  45
-2024-12-04 10:06:30,663 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,663 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,663 - INFO - moving on ...
-2024-12-04 10:06:30,663 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:30,663 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,663 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,663 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,664 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,665 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,665 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 10:06:30,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 10:06:30,665 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 10:06:30,675 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,676 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,676 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:30,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,678 - INFO - number of orbitals:  39
-2024-12-04 10:06:30,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,678 - INFO - moving on ...
-2024-12-04 10:06:30,678 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:30,678 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:30,678 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:30,678 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,678 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:30,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,680 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,680 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,680 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:30,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:30,680 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:30,690 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,691 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,691 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:30,691 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,691 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,691 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,693 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,693 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,693 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 10:06:30,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 10:06:30,693 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 10:06:30,703 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,704 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,704 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:30,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,704 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,704 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,706 - INFO - number of orbitals:  68
-2024-12-04 10:06:30,706 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,706 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,706 - INFO - moving on ...
-2024-12-04 10:06:30,706 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:30,706 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,706 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,706 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,708 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,708 - INFO - moving on ...
-2024-12-04 10:06:30,708 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:30,708 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,710 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,710 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,710 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:30,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:30,710 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:30,720 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,720 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,720 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:30,721 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,721 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,721 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,723 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,723 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,723 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 10:06:30,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 10:06:30,723 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 10:06:30,733 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,734 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,734 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:30,734 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,734 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,734 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,736 - INFO - number of orbitals:  68
-2024-12-04 10:06:30,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,736 - INFO - moving on ...
-2024-12-04 10:06:30,736 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:30,736 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,736 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,736 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,738 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,738 - INFO - moving on ...
-2024-12-04 10:06:30,738 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:30,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,738 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,738 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,739 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,740 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,740 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:30,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:30,740 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:30,750 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,750 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,750 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:30,750 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,750 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,750 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,752 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,752 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,752 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 10:06:30,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 10:06:30,752 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 10:06:30,762 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,762 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,762 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:30,762 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,762 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,762 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,764 - INFO - number of orbitals:  68
-2024-12-04 10:06:30,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,764 - INFO - moving on ...
-2024-12-04 10:06:30,764 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:30,764 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,764 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,764 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,766 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,766 - INFO - moving on ...
-2024-12-04 10:06:30,766 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:30,766 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:30,766 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:30,766 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,766 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:30,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,767 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,767 - INFO - moving on ...
-2024-12-04 10:06:30,767 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:30,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,769 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,769 - INFO - moving on ...
-2024-12-04 10:06:30,769 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:30,769 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:30,769 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:30,769 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,769 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:30,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,770 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,770 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,770 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 10:06:30,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 10:06:30,770 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 10:06:30,780 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,780 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,780 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 10:06:30,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 10:06:30,780 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,781 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:30,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,782 - INFO - number of orbitals:  110
-2024-12-04 10:06:30,782 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,782 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,782 - INFO - moving on ...
-2024-12-04 10:06:30,782 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:30,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,783 - INFO - number of orbitals:  60
-2024-12-04 10:06:30,783 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,783 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,783 - INFO - moving on ...
-2024-12-04 10:06:30,783 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:30,783 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:30,783 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:30,783 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,783 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:30,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,785 - INFO - number of orbitals:  31
-2024-12-04 10:06:30,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,785 - INFO - moving on ...
-2024-12-04 10:06:30,785 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:30,785 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:30,785 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:30,785 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,785 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:30,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,786 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,786 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,786 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:30,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:30,786 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:30,796 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,796 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,796 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:30,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:30,796 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,796 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:30,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,798 - INFO - number of orbitals:  85
-2024-12-04 10:06:30,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,798 - INFO - moving on ...
-2024-12-04 10:06:30,798 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:30,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,799 - INFO - number of orbitals:  44
-2024-12-04 10:06:30,799 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,799 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,799 - INFO - moving on ...
-2024-12-04 10:06:30,799 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:30,799 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:30,799 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:30,799 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,799 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:30,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,801 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,801 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,801 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:30,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:30,801 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:30,811 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,811 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,811 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:30,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:30,811 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,811 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:30,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,812 - INFO - number of orbitals:  85
-2024-12-04 10:06:30,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,812 - INFO - moving on ...
-2024-12-04 10:06:30,813 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:30,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,814 - INFO - number of orbitals:  44
-2024-12-04 10:06:30,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,814 - INFO - moving on ...
-2024-12-04 10:06:30,814 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:30,814 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:30,814 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:30,814 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,814 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:30,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,815 - INFO - number of orbitals:  33
-2024-12-04 10:06:30,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,815 - INFO - moving on ...
-2024-12-04 10:06:30,815 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:30,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,816 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,817 - INFO - moving on ...
-2024-12-04 10:06:30,817 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:30,817 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:30,817 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:30,817 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,817 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:30,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,817 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,817 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,819 - INFO - number of orbitals:  45
-2024-12-04 10:06:30,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,819 - INFO - moving on ...
-2024-12-04 10:06:30,819 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:30,819 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,819 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,819 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,820 - INFO - number of orbitals:  53
-2024-12-04 10:06:30,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,821 - INFO - moving on ...
-2024-12-04 10:06:30,821 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:30,821 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,822 - INFO - number of orbitals:  58
-2024-12-04 10:06:30,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,822 - INFO - moving on ...
-2024-12-04 10:06:30,822 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:30,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,823 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,823 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,824 - INFO - number of orbitals:  44
-2024-12-04 10:06:30,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,824 - INFO - moving on ...
-2024-12-04 10:06:30,824 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:30,824 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,824 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,824 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,826 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,826 - INFO - moving on ...
-2024-12-04 10:06:30,826 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:30,826 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,828 - INFO - number of orbitals:  55
-2024-12-04 10:06:30,828 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,828 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,828 - INFO - moving on ...
-2024-12-04 10:06:30,828 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:30,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,829 - INFO - number of orbitals:  44
-2024-12-04 10:06:30,829 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,830 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,830 - INFO - moving on ...
-2024-12-04 10:06:30,830 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:30,830 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,830 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,830 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,831 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,831 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,831 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,831 - INFO - moving on ...
-2024-12-04 10:06:30,831 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:30,831 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,833 - INFO - number of orbitals:  55
-2024-12-04 10:06:30,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,833 - INFO - moving on ...
-2024-12-04 10:06:30,833 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:30,833 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:30,833 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:30,833 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,833 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:30,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,834 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,835 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,835 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,835 - INFO - moving on ...
-2024-12-04 10:06:30,835 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:30,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,836 - INFO - number of orbitals:  135
-2024-12-04 10:06:30,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,836 - INFO - moving on ...
-2024-12-04 10:06:30,836 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:30,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,837 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,837 - INFO - moving on ...
-2024-12-04 10:06:30,837 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:30,837 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:30,837 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:30,837 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,837 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:30,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,838 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,838 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,838 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 10:06:30,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 10:06:30,839 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 10:06:30,848 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,849 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,849 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 10:06:30,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 10:06:30,849 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,849 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:30,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,850 - INFO - number of orbitals:  115
-2024-12-04 10:06:30,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,850 - INFO - moving on ...
-2024-12-04 10:06:30,850 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:30,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,851 - INFO - number of orbitals:  58
-2024-12-04 10:06:30,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,852 - INFO - moving on ...
-2024-12-04 10:06:30,852 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:30,852 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:30,852 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:30,852 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,852 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:30,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,853 - INFO - number of orbitals:  32
-2024-12-04 10:06:30,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,853 - INFO - moving on ...
-2024-12-04 10:06:30,853 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:30,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,854 - INFO - number of orbitals:  64
-2024-12-04 10:06:30,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,854 - INFO - moving on ...
-2024-12-04 10:06:30,854 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:30,854 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:30,854 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:30,854 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,854 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:30,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,855 - INFO - number of orbitals:  52
-2024-12-04 10:06:30,856 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,856 - INFO - moving on ...
-2024-12-04 10:06:30,856 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:30,856 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:30,856 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:30,856 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,856 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:30,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,857 - INFO - number of orbitals:  38
-2024-12-04 10:06:30,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,857 - INFO - moving on ...
-2024-12-04 10:06:30,857 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:30,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,858 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,858 - INFO - moving on ...
-2024-12-04 10:06:30,858 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:30,858 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:30,858 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:30,859 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,859 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:30,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,860 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,860 - INFO - moving on ...
-2024-12-04 10:06:30,860 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:30,860 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:30,860 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:30,860 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,860 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:30,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,861 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,861 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,861 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 10:06:30,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 10:06:30,861 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 10:06:30,872 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,872 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,872 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:30,872 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:30,872 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:30,872 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,872 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:30,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,874 - INFO - number of orbitals:  76
-2024-12-04 10:06:30,874 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,874 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,874 - INFO - moving on ...
-2024-12-04 10:06:30,874 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:30,874 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:30,874 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:30,874 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,874 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:30,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,875 - INFO - number of orbitals:  33
-2024-12-04 10:06:30,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,875 - INFO - moving on ...
-2024-12-04 10:06:30,875 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:30,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,877 - INFO - number of orbitals:  74
-2024-12-04 10:06:30,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,877 - INFO - moving on ...
-2024-12-04 10:06:30,877 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:30,877 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:30,877 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:30,877 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,877 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:30,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,878 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,878 - INFO - moving on ...
-2024-12-04 10:06:30,878 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:30,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,879 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,879 - INFO - moving on ...
-2024-12-04 10:06:30,879 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:30,879 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:30,879 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:30,879 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,880 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:30,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,881 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,881 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,881 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 10:06:30,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 10:06:30,881 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 10:06:30,891 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,891 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,891 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 10:06:30,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 10:06:30,891 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,891 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:30,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,892 - INFO - number of orbitals:  115
-2024-12-04 10:06:30,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,893 - INFO - moving on ...
-2024-12-04 10:06:30,893 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:30,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,894 - INFO - number of orbitals:  58
-2024-12-04 10:06:30,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,894 - INFO - moving on ...
-2024-12-04 10:06:30,894 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:30,894 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:30,894 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:30,894 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,894 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:30,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,895 - INFO - number of orbitals:  70
-2024-12-04 10:06:30,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,895 - INFO - moving on ...
-2024-12-04 10:06:30,895 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:30,895 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:30,895 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:30,896 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,896 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:30,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,897 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,897 - INFO - moving on ...
-2024-12-04 10:06:30,897 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:30,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,898 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,898 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,898 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,898 - INFO - moving on ...
-2024-12-04 10:06:30,898 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:30,898 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:30,898 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:30,898 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,898 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:30,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,899 - INFO - number of orbitals:  48
-2024-12-04 10:06:30,900 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,900 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,900 - INFO - moving on ...
-2024-12-04 10:06:30,900 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:30,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,901 - INFO - number of orbitals:  116
-2024-12-04 10:06:30,901 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,901 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,901 - INFO - moving on ...
-2024-12-04 10:06:30,901 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:30,901 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:30,901 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:30,901 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,901 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:30,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,902 - INFO - number of orbitals:  36
-2024-12-04 10:06:30,902 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,902 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,902 - INFO - moving on ...
-2024-12-04 10:06:30,902 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:30,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,904 - INFO - number of orbitals:  118
-2024-12-04 10:06:30,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,904 - INFO - moving on ...
-2024-12-04 10:06:30,904 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:30,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,905 - INFO - number of orbitals:  68
-2024-12-04 10:06:30,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,905 - INFO - moving on ...
-2024-12-04 10:06:30,905 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:30,905 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:30,905 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:30,905 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,905 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:30,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,907 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,907 - INFO - number of supporting files: 2
-2024-12-04 10:06:30,907 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 10:06:30,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 10:06:30,907 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 10:06:30,917 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,917 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,917 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 10:06:30,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 10:06:30,917 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:30,917 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:30,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,919 - INFO - number of orbitals:  72
-2024-12-04 10:06:30,919 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,919 - INFO - moving on ...
-2024-12-04 10:06:30,919 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:30,919 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:30,919 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:30,919 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,919 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:30,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,920 - INFO - number of orbitals:  54
-2024-12-04 10:06:30,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,920 - INFO - moving on ...
-2024-12-04 10:06:30,920 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:30,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,922 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,922 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,922 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,922 - INFO - moving on ...
-2024-12-04 10:06:30,922 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:30,922 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:30,922 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:30,922 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,922 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:30,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,923 - INFO - number of orbitals:  38
-2024-12-04 10:06:30,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,923 - INFO - moving on ...
-2024-12-04 10:06:30,923 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:30,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,925 - INFO - number of orbitals:  88
-2024-12-04 10:06:30,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,925 - INFO - moving on ...
-2024-12-04 10:06:30,925 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:30,925 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:30,925 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:30,925 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:30,925 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:30,925 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,925 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,927 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,927 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,927 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:30,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:30,927 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:30,938 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,938 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,938 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:30,938 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,938 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,938 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,940 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,940 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,940 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:30,940 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:30,940 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:30,950 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,951 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,951 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:30,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,953 - INFO - number of orbitals:  34
-2024-12-04 10:06:30,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,953 - INFO - moving on ...
-2024-12-04 10:06:30,953 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:30,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,955 - INFO - number of orbitals:  36
-2024-12-04 10:06:30,955 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,955 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,955 - INFO - moving on ...
-2024-12-04 10:06:30,955 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:30,955 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,955 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,955 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,957 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,957 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,957 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:30,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:30,957 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:30,967 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,968 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,968 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:30,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,970 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,970 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,970 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:30,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:30,970 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:30,981 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,981 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,981 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:30,981 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,983 - INFO - number of orbitals:  34
-2024-12-04 10:06:30,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,983 - INFO - moving on ...
-2024-12-04 10:06:30,983 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:30,983 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,983 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,983 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,985 - INFO - number of orbitals:  36
-2024-12-04 10:06:30,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:30,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:30,985 - INFO - moving on ...
-2024-12-04 10:06:30,985 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:30,985 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:30,987 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:30,987 - INFO - number of supporting files: 1
-2024-12-04 10:06:30,987 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:30,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:30,987 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:30,997 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:30,997 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:30,997 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:30,997 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:30,998 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:30,998 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:30,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,000 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,000 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,000 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 10:06:31,000 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 10:06:31,000 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 10:06:31,010 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,010 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,010 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:31,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,012 - INFO - number of orbitals:  34
-2024-12-04 10:06:31,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,012 - INFO - moving on ...
-2024-12-04 10:06:31,012 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:31,012 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,013 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,013 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,014 - INFO - number of orbitals:  36
-2024-12-04 10:06:31,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,014 - INFO - moving on ...
-2024-12-04 10:06:31,014 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:31,015 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:31,015 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:31,015 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,015 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:31,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,016 - INFO - number of orbitals:  38
-2024-12-04 10:06:31,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,016 - INFO - moving on ...
-2024-12-04 10:06:31,016 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:31,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,017 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,017 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,017 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,017 - INFO - moving on ...
-2024-12-04 10:06:31,017 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:31,017 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:31,017 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:31,017 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,017 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:31,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,019 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,019 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,019 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 10:06:31,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 10:06:31,019 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 10:06:31,031 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,032 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,032 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 10:06:31,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 10:06:31,032 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,032 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:31,033 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,033 - INFO - number of orbitals:  89
-2024-12-04 10:06:31,034 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,034 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,034 - INFO - moving on ...
-2024-12-04 10:06:31,034 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:31,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,035 - INFO - number of orbitals:  48
-2024-12-04 10:06:31,035 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,035 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,035 - INFO - moving on ...
-2024-12-04 10:06:31,035 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:31,035 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:31,035 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:31,035 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,035 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:31,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,036 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,036 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,036 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,036 - INFO - moving on ...
-2024-12-04 10:06:31,036 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:31,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,038 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,038 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,038 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,038 - INFO - moving on ...
-2024-12-04 10:06:31,038 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:31,038 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:31,038 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:31,038 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,038 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:31,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,039 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,039 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,039 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 10:06:31,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 10:06:31,039 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 10:06:31,049 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,049 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,050 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 10:06:31,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 10:06:31,050 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,050 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:31,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,051 - INFO - number of orbitals:  79
-2024-12-04 10:06:31,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,051 - INFO - moving on ...
-2024-12-04 10:06:31,051 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:31,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,052 - INFO - number of orbitals:  45
-2024-12-04 10:06:31,052 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,052 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,052 - INFO - moving on ...
-2024-12-04 10:06:31,052 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:31,052 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:31,053 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:31,053 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,053 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:31,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,054 - INFO - number of orbitals:  36
-2024-12-04 10:06:31,054 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,054 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,054 - INFO - moving on ...
-2024-12-04 10:06:31,054 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:31,055 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,055 - INFO - number of orbitals:  118
-2024-12-04 10:06:31,055 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,055 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,055 - INFO - moving on ...
-2024-12-04 10:06:31,055 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:31,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,056 - INFO - number of orbitals:  68
-2024-12-04 10:06:31,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,057 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,057 - INFO - moving on ...
-2024-12-04 10:06:31,057 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:31,057 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:31,057 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:31,057 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,057 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:31,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,058 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,058 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,058 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 10:06:31,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 10:06:31,058 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 10:06:31,069 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,069 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,069 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 10:06:31,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 10:06:31,069 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,069 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:31,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,071 - INFO - number of orbitals:  79
-2024-12-04 10:06:31,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,071 - INFO - moving on ...
-2024-12-04 10:06:31,071 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:31,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,072 - INFO - number of orbitals:  45
-2024-12-04 10:06:31,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,072 - INFO - moving on ...
-2024-12-04 10:06:31,072 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:31,072 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:31,072 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:31,072 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,072 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:31,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,074 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,074 - INFO - moving on ...
-2024-12-04 10:06:31,074 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:31,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,075 - INFO - number of orbitals:  135
-2024-12-04 10:06:31,075 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,075 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,075 - INFO - moving on ...
-2024-12-04 10:06:31,075 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:31,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,076 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,076 - INFO - moving on ...
-2024-12-04 10:06:31,076 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:31,076 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:31,077 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:31,077 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,077 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:31,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,078 - INFO - number of orbitals:  46
-2024-12-04 10:06:31,078 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,078 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,078 - INFO - moving on ...
-2024-12-04 10:06:31,078 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:31,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,079 - INFO - number of orbitals:  94
-2024-12-04 10:06:31,079 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,079 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,079 - INFO - moving on ...
-2024-12-04 10:06:31,079 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:31,079 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:31,079 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:31,080 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,080 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:31,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,081 - INFO - number of orbitals:  42
-2024-12-04 10:06:31,081 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,081 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,081 - INFO - moving on ...
-2024-12-04 10:06:31,081 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:31,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,082 - INFO - number of orbitals:  90
-2024-12-04 10:06:31,082 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,082 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,082 - INFO - moving on ...
-2024-12-04 10:06:31,082 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:31,082 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:31,082 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:31,082 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,082 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:31,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,083 - INFO - number of orbitals:  36
-2024-12-04 10:06:31,083 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,084 - INFO - moving on ...
-2024-12-04 10:06:31,084 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:31,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,085 - INFO - number of orbitals:  118
-2024-12-04 10:06:31,085 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,085 - INFO - moving on ...
-2024-12-04 10:06:31,085 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:31,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,086 - INFO - number of orbitals:  68
-2024-12-04 10:06:31,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,086 - INFO - moving on ...
-2024-12-04 10:06:31,086 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:31,086 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:31,086 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:31,086 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,086 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:31,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,087 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,087 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,088 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,088 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,088 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:31,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:31,088 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:31,098 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,099 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,099 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:31,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,100 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,101 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,101 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:31,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:31,101 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:31,111 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,111 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,111 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:31,111 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,112 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,112 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,113 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,113 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,114 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:31,114 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:31,114 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:31,124 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,124 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,124 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:31,124 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,124 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,124 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,126 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,126 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,126 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:31,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:31,126 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:31,137 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,138 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,138 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:31,138 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,138 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,138 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,140 - INFO - number of orbitals:  33
-2024-12-04 10:06:31,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,140 - INFO - moving on ...
-2024-12-04 10:06:31,140 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:31,140 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,140 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,140 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,142 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,142 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,142 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 10:06:31,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 10:06:31,142 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 10:06:31,153 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,154 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,154 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:31,154 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,154 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,154 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,156 - INFO - number of orbitals:  45
-2024-12-04 10:06:31,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,156 - INFO - moving on ...
-2024-12-04 10:06:31,156 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:31,156 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,156 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,156 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,158 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,158 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,158 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 10:06:31,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 10:06:31,158 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 10:06:31,173 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,174 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,174 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:31,174 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,174 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,174 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,176 - INFO - number of orbitals:  42
-2024-12-04 10:06:31,176 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,176 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,176 - INFO - moving on ...
-2024-12-04 10:06:31,176 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:31,176 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:31,176 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:31,176 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,176 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:31,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,178 - INFO - number of orbitals:  48
-2024-12-04 10:06:31,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,178 - INFO - moving on ...
-2024-12-04 10:06:31,178 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:31,178 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:31,178 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:31,178 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,178 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:31,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,179 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,179 - INFO - moving on ...
-2024-12-04 10:06:31,179 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:31,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,181 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,181 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,181 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,181 - INFO - moving on ...
-2024-12-04 10:06:31,181 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:31,181 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:31,181 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:31,181 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,181 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:31,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,182 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,182 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,182 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:31,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:31,182 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:31,192 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,193 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,193 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:31,193 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:31,193 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:31,193 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,193 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:31,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,195 - INFO - number of orbitals:  32
-2024-12-04 10:06:31,195 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,195 - INFO - moving on ...
-2024-12-04 10:06:31,195 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:31,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,196 - INFO - number of orbitals:  114
-2024-12-04 10:06:31,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,196 - INFO - moving on ...
-2024-12-04 10:06:31,196 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:31,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,197 - INFO - number of orbitals:  64
-2024-12-04 10:06:31,197 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,197 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,197 - INFO - moving on ...
-2024-12-04 10:06:31,197 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:31,197 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:31,197 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:31,197 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,197 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:31,197 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,198 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,198 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,199 - INFO - number of orbitals:  42
-2024-12-04 10:06:31,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,199 - INFO - moving on ...
-2024-12-04 10:06:31,199 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:31,199 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,199 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,199 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,201 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,201 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,201 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:31,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:31,201 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:31,211 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,212 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,212 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:31,212 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,212 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,212 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,214 - INFO - number of orbitals:  90
-2024-12-04 10:06:31,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,214 - INFO - moving on ...
-2024-12-04 10:06:31,214 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:31,214 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,216 - INFO - number of orbitals:  42
-2024-12-04 10:06:31,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,216 - INFO - moving on ...
-2024-12-04 10:06:31,216 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:31,216 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,216 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,216 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,217 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,217 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,217 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:31,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:31,218 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:31,227 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,228 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,228 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:31,228 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,228 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,228 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,229 - INFO - number of orbitals:  90
-2024-12-04 10:06:31,230 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-04 10:06:31,230 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,230 - INFO - moving on ...
-2024-12-04 10:06:31,230 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:31,230 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:31,230 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:31,230 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,230 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:31,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,231 - INFO - number of orbitals:  76
-2024-12-04 10:06:31,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,231 - INFO - moving on ...
-2024-12-04 10:06:31,231 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:31,231 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:31,231 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:31,231 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,231 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:31,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,233 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,233 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,233 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 10:06:31,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 10:06:31,233 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 10:06:31,242 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,243 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,243 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 10:06:31,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 10:06:31,243 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,243 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:31,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,244 - INFO - number of orbitals:  64
-2024-12-04 10:06:31,244 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,244 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,244 - INFO - moving on ...
-2024-12-04 10:06:31,244 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:31,244 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:31,244 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:31,244 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,245 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:31,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,246 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,246 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,246 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:31,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:31,246 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:31,256 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,256 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,256 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:31,256 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:31,256 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:31,256 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,256 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:31,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,258 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,258 - INFO - moving on ...
-2024-12-04 10:06:31,258 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:31,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,259 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,259 - INFO - moving on ...
-2024-12-04 10:06:31,259 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:31,259 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:31,259 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:31,259 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,259 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:31,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,260 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,260 - INFO - moving on ...
-2024-12-04 10:06:31,260 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:31,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,261 - INFO - number of orbitals:  135
-2024-12-04 10:06:31,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,262 - INFO - moving on ...
-2024-12-04 10:06:31,262 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:31,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,263 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,263 - INFO - moving on ...
-2024-12-04 10:06:31,263 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:31,263 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:31,263 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:31,263 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,263 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:31,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,264 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,264 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,264 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:31,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:31,264 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:31,274 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,275 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,275 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:31,275 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:31,275 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:31,275 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,275 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:31,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,276 - INFO - number of orbitals:  76
-2024-12-04 10:06:31,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,277 - INFO - moving on ...
-2024-12-04 10:06:31,277 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:31,277 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:31,277 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:31,277 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,277 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:31,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,278 - INFO - number of orbitals:  76
-2024-12-04 10:06:31,278 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,278 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,278 - INFO - moving on ...
-2024-12-04 10:06:31,278 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:31,278 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:31,278 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:31,278 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,278 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:31,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,280 - INFO - number of orbitals:  36
-2024-12-04 10:06:31,280 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,280 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,280 - INFO - moving on ...
-2024-12-04 10:06:31,280 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:31,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,281 - INFO - number of orbitals:  118
-2024-12-04 10:06:31,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,281 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,281 - INFO - moving on ...
-2024-12-04 10:06:31,281 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:31,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,282 - INFO - number of orbitals:  68
-2024-12-04 10:06:31,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,282 - INFO - moving on ...
-2024-12-04 10:06:31,282 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:31,283 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:31,283 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:31,283 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,283 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:31,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,284 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,284 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,284 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:31,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:31,284 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:31,294 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,295 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,295 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:31,295 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:31,295 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:31,295 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,295 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:31,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,297 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,297 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,297 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 10:06:31,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 10:06:31,297 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 10:06:31,307 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,308 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,308 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 10:06:31,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 10:06:31,308 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,308 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:31,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,309 - INFO - number of orbitals:  110
-2024-12-04 10:06:31,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,309 - INFO - moving on ...
-2024-12-04 10:06:31,309 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:31,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,311 - INFO - number of orbitals:  60
-2024-12-04 10:06:31,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,311 - INFO - moving on ...
-2024-12-04 10:06:31,311 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:31,311 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:31,311 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:31,311 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,311 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:31,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,312 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,312 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,312 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,312 - INFO - moving on ...
-2024-12-04 10:06:31,312 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:31,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,313 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,313 - INFO - moving on ...
-2024-12-04 10:06:31,314 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:31,314 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:31,314 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:31,314 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,314 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:31,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,315 - INFO - number of orbitals:  66
-2024-12-04 10:06:31,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,315 - INFO - moving on ...
-2024-12-04 10:06:31,315 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:31,315 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:31,315 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:31,315 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,315 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:31,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,316 - INFO - number of orbitals:  46
-2024-12-04 10:06:31,316 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,316 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,316 - INFO - moving on ...
-2024-12-04 10:06:31,316 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:31,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,317 - INFO - number of orbitals:  94
-2024-12-04 10:06:31,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,318 - INFO - moving on ...
-2024-12-04 10:06:31,318 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:31,318 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:31,318 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:31,318 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,318 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:31,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,319 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,319 - INFO - moving on ...
-2024-12-04 10:06:31,319 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:31,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,320 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,320 - INFO - moving on ...
-2024-12-04 10:06:31,320 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:31,321 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:31,321 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:31,321 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,321 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:31,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,322 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,322 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,322 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:31,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:31,322 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:31,333 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,333 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,333 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:31,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:31,334 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,334 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:31,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,335 - INFO - number of orbitals:  85
-2024-12-04 10:06:31,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,335 - INFO - moving on ...
-2024-12-04 10:06:31,335 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:31,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,337 - INFO - number of orbitals:  44
-2024-12-04 10:06:31,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,337 - INFO - moving on ...
-2024-12-04 10:06:31,337 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:31,337 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:31,337 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:31,337 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,337 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:31,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,339 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,339 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,339 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 10:06:31,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 10:06:31,339 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 10:06:31,350 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,350 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,350 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 10:06:31,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 10:06:31,351 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,351 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:31,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,352 - INFO - number of orbitals:  110
-2024-12-04 10:06:31,352 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,352 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,352 - INFO - moving on ...
-2024-12-04 10:06:31,352 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:31,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,354 - INFO - number of orbitals:  60
-2024-12-04 10:06:31,354 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,354 - INFO - moving on ...
-2024-12-04 10:06:31,354 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:31,354 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:31,354 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:31,354 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,354 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:31,354 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,354 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,355 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,356 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,356 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,356 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 10:06:31,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 10:06:31,356 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 10:06:31,367 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,367 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,367 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:31,368 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,368 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,368 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,370 - INFO - number of orbitals:  46
-2024-12-04 10:06:31,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,370 - INFO - moving on ...
-2024-12-04 10:06:31,370 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:31,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,372 - INFO - number of orbitals:  46
-2024-12-04 10:06:31,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,372 - INFO - moving on ...
-2024-12-04 10:06:31,372 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:31,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,372 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,372 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,374 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,374 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,374 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 10:06:31,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 10:06:31,374 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 10:06:31,385 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,385 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,385 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:31,386 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:31,386 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:31,386 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,386 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:31,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,387 - INFO - number of orbitals:  48
-2024-12-04 10:06:31,387 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,387 - INFO - moving on ...
-2024-12-04 10:06:31,387 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:31,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,388 - INFO - number of orbitals:  116
-2024-12-04 10:06:31,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,389 - INFO - moving on ...
-2024-12-04 10:06:31,389 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:31,389 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:31,389 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:31,389 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,389 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:31,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,390 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,390 - INFO - moving on ...
-2024-12-04 10:06:31,390 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:31,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,391 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,392 - INFO - moving on ...
-2024-12-04 10:06:31,392 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:31,392 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:31,392 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:31,392 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,392 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:31,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,393 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,393 - INFO - moving on ...
-2024-12-04 10:06:31,393 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:31,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,394 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,394 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,394 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,394 - INFO - moving on ...
-2024-12-04 10:06:31,394 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:31,395 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:31,395 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:31,395 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,395 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:31,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,396 - INFO - number of orbitals:  37
-2024-12-04 10:06:31,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,396 - INFO - moving on ...
-2024-12-04 10:06:31,396 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:31,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,397 - INFO - number of orbitals:  78
-2024-12-04 10:06:31,397 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,397 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,397 - INFO - moving on ...
-2024-12-04 10:06:31,397 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:31,397 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:31,397 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:31,397 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,397 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:31,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,398 - INFO - number of orbitals:  69
-2024-12-04 10:06:31,399 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,399 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,399 - INFO - moving on ...
-2024-12-04 10:06:31,399 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:31,399 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:31,399 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:31,399 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,399 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:31,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,400 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,400 - INFO - moving on ...
-2024-12-04 10:06:31,400 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:31,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,401 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,401 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,401 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,401 - INFO - moving on ...
-2024-12-04 10:06:31,401 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:31,402 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:31,402 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:31,402 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,402 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:31,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,403 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,403 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,403 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:31,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:31,403 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:31,413 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,413 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,413 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:31,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:31,413 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,413 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:31,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,415 - INFO - number of orbitals:  85
-2024-12-04 10:06:31,415 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,415 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,415 - INFO - moving on ...
-2024-12-04 10:06:31,415 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:31,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,416 - INFO - number of orbitals:  44
-2024-12-04 10:06:31,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,416 - INFO - moving on ...
-2024-12-04 10:06:31,416 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:31,417 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:31,417 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:31,417 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,417 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:31,417 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,417 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,417 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,418 - INFO - number of orbitals:  55
-2024-12-04 10:06:31,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,419 - INFO - moving on ...
-2024-12-04 10:06:31,419 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:31,419 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,420 - INFO - number of orbitals:  70
-2024-12-04 10:06:31,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,420 - INFO - moving on ...
-2024-12-04 10:06:31,420 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:31,420 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,422 - INFO - number of orbitals:  55
-2024-12-04 10:06:31,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,422 - INFO - moving on ...
-2024-12-04 10:06:31,422 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:31,422 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,422 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,422 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,424 - INFO - number of orbitals:  69
-2024-12-04 10:06:31,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,424 - INFO - moving on ...
-2024-12-04 10:06:31,424 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:31,424 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,424 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,424 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,426 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,426 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,426 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 10:06:31,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 10:06:31,426 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 10:06:31,436 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,436 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,437 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:31,437 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,437 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,437 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,438 - INFO - number of orbitals:  45
-2024-12-04 10:06:31,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,439 - INFO - moving on ...
-2024-12-04 10:06:31,439 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:31,439 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,439 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,439 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,440 - INFO - number of orbitals:  55
-2024-12-04 10:06:31,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,441 - INFO - moving on ...
-2024-12-04 10:06:31,441 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:31,441 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,441 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,441 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,442 - INFO - number of orbitals:  69
-2024-12-04 10:06:31,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,442 - INFO - moving on ...
-2024-12-04 10:06:31,442 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:31,443 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,443 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,443 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,444 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,444 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,444 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 10:06:31,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 10:06:31,444 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 10:06:31,454 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,455 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,455 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:31,455 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,455 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,455 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,457 - INFO - number of orbitals:  45
-2024-12-04 10:06:31,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,457 - INFO - moving on ...
-2024-12-04 10:06:31,457 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:31,457 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,457 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,457 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,459 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,459 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,459 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 10:06:31,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 10:06:31,459 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 10:06:31,469 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,470 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,470 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:31,470 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,472 - INFO - number of orbitals:  45
-2024-12-04 10:06:31,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,472 - INFO - moving on ...
-2024-12-04 10:06:31,472 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:31,472 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,474 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,474 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,474 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 10:06:31,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 10:06:31,474 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 10:06:31,484 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,485 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,485 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:31,485 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,485 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,485 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,487 - INFO - number of orbitals:  45
-2024-12-04 10:06:31,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,487 - INFO - moving on ...
-2024-12-04 10:06:31,487 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:31,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,489 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,489 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,489 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 10:06:31,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 10:06:31,489 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 10:06:31,499 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,500 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,500 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:31,500 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,500 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,500 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,502 - INFO - number of orbitals:  39
-2024-12-04 10:06:31,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,502 - INFO - moving on ...
-2024-12-04 10:06:31,502 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:31,502 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:31,502 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:31,502 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,502 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:31,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,504 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,504 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,504 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 10:06:31,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 10:06:31,504 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 10:06:31,514 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,515 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,515 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 10:06:31,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 10:06:31,515 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,515 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:31,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,516 - INFO - number of orbitals:  72
-2024-12-04 10:06:31,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,516 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,516 - INFO - moving on ...
-2024-12-04 10:06:31,516 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:31,517 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:31,517 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:31,517 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,517 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:31,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,518 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,518 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,518 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 10:06:31,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 10:06:31,518 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 10:06:31,528 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,528 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,529 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 10:06:31,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 10:06:31,529 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,529 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:31,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,530 - INFO - number of orbitals:  110
-2024-12-04 10:06:31,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,530 - INFO - moving on ...
-2024-12-04 10:06:31,530 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:31,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,531 - INFO - number of orbitals:  60
-2024-12-04 10:06:31,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,531 - INFO - moving on ...
-2024-12-04 10:06:31,531 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:31,532 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:31,532 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:31,532 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,532 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:31,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,533 - INFO - number of orbitals:  36
-2024-12-04 10:06:31,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,533 - INFO - moving on ...
-2024-12-04 10:06:31,533 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:31,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,534 - INFO - number of orbitals:  118
-2024-12-04 10:06:31,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,534 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,534 - INFO - moving on ...
-2024-12-04 10:06:31,534 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:31,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,535 - INFO - number of orbitals:  68
-2024-12-04 10:06:31,535 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,535 - INFO - moving on ...
-2024-12-04 10:06:31,535 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:31,536 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:31,536 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:31,536 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,536 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:31,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,537 - INFO - number of orbitals:  76
-2024-12-04 10:06:31,537 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,537 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,537 - INFO - moving on ...
-2024-12-04 10:06:31,537 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:31,537 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:31,537 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:31,537 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,537 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:31,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,538 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,538 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,538 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 10:06:31,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 10:06:31,538 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 10:06:31,549 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,549 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,550 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 10:06:31,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 10:06:31,550 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,550 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:31,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,551 - INFO - number of orbitals:  79
-2024-12-04 10:06:31,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,551 - INFO - moving on ...
-2024-12-04 10:06:31,551 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:31,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,552 - INFO - number of orbitals:  45
-2024-12-04 10:06:31,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,552 - INFO - moving on ...
-2024-12-04 10:06:31,552 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:31,553 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:31,553 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:31,553 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,553 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:31,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,554 - INFO - number of orbitals:  36
-2024-12-04 10:06:31,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,554 - INFO - moving on ...
-2024-12-04 10:06:31,554 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:31,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,555 - INFO - number of orbitals:  118
-2024-12-04 10:06:31,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,555 - INFO - moving on ...
-2024-12-04 10:06:31,555 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:31,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,556 - INFO - number of orbitals:  68
-2024-12-04 10:06:31,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,556 - INFO - moving on ...
-2024-12-04 10:06:31,557 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:31,557 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:31,557 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:31,557 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,557 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:31,557 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,559 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,559 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,559 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 10:06:31,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 10:06:31,559 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 10:06:31,568 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,569 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,569 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:31,569 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,569 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,569 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,571 - INFO - number of orbitals:  108
-2024-12-04 10:06:31,571 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,571 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,571 - INFO - moving on ...
-2024-12-04 10:06:31,571 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:31,571 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:31,571 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:31,571 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,571 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:31,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,573 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,573 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,573 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 10:06:31,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 10:06:31,573 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 10:06:31,584 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,584 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,584 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 10:06:31,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 10:06:31,584 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,584 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:31,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,586 - INFO - number of orbitals:  74
-2024-12-04 10:06:31,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,586 - INFO - moving on ...
-2024-12-04 10:06:31,586 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:31,587 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:31,587 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:31,587 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,587 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:31,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,588 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,588 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,588 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 10:06:31,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 10:06:31,588 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 10:06:31,599 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,600 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,600 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 10:06:31,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 10:06:31,600 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,600 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:31,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,601 - INFO - number of orbitals:  89
-2024-12-04 10:06:31,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,601 - INFO - moving on ...
-2024-12-04 10:06:31,601 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:31,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,603 - INFO - number of orbitals:  48
-2024-12-04 10:06:31,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,603 - INFO - moving on ...
-2024-12-04 10:06:31,603 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:31,603 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:31,603 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:31,603 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,603 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:31,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,604 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,604 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,604 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 10:06:31,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 10:06:31,604 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 10:06:31,615 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,615 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,615 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 10:06:31,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 10:06:31,616 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,616 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:31,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,617 - INFO - number of orbitals:  110
-2024-12-04 10:06:31,617 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,617 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,617 - INFO - moving on ...
-2024-12-04 10:06:31,617 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:31,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,619 - INFO - number of orbitals:  60
-2024-12-04 10:06:31,619 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,619 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,619 - INFO - moving on ...
-2024-12-04 10:06:31,619 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:31,619 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:31,619 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:31,619 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,619 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:31,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,621 - INFO - number of orbitals:  54
-2024-12-04 10:06:31,621 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,621 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,621 - INFO - moving on ...
-2024-12-04 10:06:31,621 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:31,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,622 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,622 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,622 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,622 - INFO - moving on ...
-2024-12-04 10:06:31,622 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:31,623 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:31,623 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:31,623 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,623 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:31,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,624 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,624 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,624 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 10:06:31,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 10:06:31,624 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 10:06:31,635 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,635 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,635 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 10:06:31,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 10:06:31,635 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,635 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:31,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,637 - INFO - number of orbitals:  79
-2024-12-04 10:06:31,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,637 - INFO - moving on ...
-2024-12-04 10:06:31,637 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:31,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,638 - INFO - number of orbitals:  45
-2024-12-04 10:06:31,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,638 - INFO - moving on ...
-2024-12-04 10:06:31,638 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:31,638 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:31,638 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:31,638 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,638 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:31,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,640 - INFO - number of orbitals:  69
-2024-12-04 10:06:31,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,640 - INFO - moving on ...
-2024-12-04 10:06:31,640 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:31,640 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:31,640 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:31,640 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,640 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:31,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,641 - INFO - number of orbitals:  38
-2024-12-04 10:06:31,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,642 - INFO - moving on ...
-2024-12-04 10:06:31,642 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:31,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,643 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,643 - INFO - moving on ...
-2024-12-04 10:06:31,643 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:31,643 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:31,643 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:31,643 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,643 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:31,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,644 - INFO - number of orbitals:  38
-2024-12-04 10:06:31,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,644 - INFO - moving on ...
-2024-12-04 10:06:31,644 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:31,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,645 - INFO - number of orbitals:  88
-2024-12-04 10:06:31,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,646 - INFO - moving on ...
-2024-12-04 10:06:31,646 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:31,646 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:31,646 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:31,646 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,646 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:31,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,647 - INFO - number of orbitals:  70
-2024-12-04 10:06:31,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,647 - INFO - moving on ...
-2024-12-04 10:06:31,647 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:31,647 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:31,647 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:31,647 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,647 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:31,647 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,649 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,649 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,649 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:31,649 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:31,649 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:31,660 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,660 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,660 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:31,660 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,660 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,660 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,662 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,662 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,662 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 10:06:31,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 10:06:31,663 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 10:06:31,673 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,674 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,674 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:31,674 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,674 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,674 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,676 - INFO - number of orbitals:  68
-2024-12-04 10:06:31,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,677 - INFO - moving on ...
-2024-12-04 10:06:31,677 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:31,677 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,677 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,677 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,680 - INFO - number of orbitals:  76
-2024-12-04 10:06:31,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,680 - INFO - moving on ...
-2024-12-04 10:06:31,680 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:31,680 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,680 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,680 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,683 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,683 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,683 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:31,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:31,683 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:31,694 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,695 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,695 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:31,695 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,695 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,695 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,697 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,697 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,697 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 10:06:31,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 10:06:31,697 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 10:06:31,708 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,709 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,709 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:31,709 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,709 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,709 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,711 - INFO - number of orbitals:  68
-2024-12-04 10:06:31,711 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,711 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,711 - INFO - moving on ...
-2024-12-04 10:06:31,711 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:31,711 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,711 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,711 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,713 - INFO - number of orbitals:  76
-2024-12-04 10:06:31,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,713 - INFO - moving on ...
-2024-12-04 10:06:31,713 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:31,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,714 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,714 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,715 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,715 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,715 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:31,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:31,715 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:31,726 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,726 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,726 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:31,726 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,727 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,727 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,728 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,729 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,729 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 10:06:31,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 10:06:31,729 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 10:06:31,739 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,740 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,740 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:31,740 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,740 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,740 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,742 - INFO - number of orbitals:  68
-2024-12-04 10:06:31,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,742 - INFO - moving on ...
-2024-12-04 10:06:31,742 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:31,742 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,742 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,742 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,744 - INFO - number of orbitals:  76
-2024-12-04 10:06:31,744 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,744 - INFO - moving on ...
-2024-12-04 10:06:31,744 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:31,744 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:31,744 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:31,744 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,744 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:31,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,745 - INFO - number of orbitals:  76
-2024-12-04 10:06:31,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,746 - INFO - moving on ...
-2024-12-04 10:06:31,746 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:31,746 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:31,746 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:31,746 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,746 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:31,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,747 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,747 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,747 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 10:06:31,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 10:06:31,747 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 10:06:31,757 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,757 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,758 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 10:06:31,758 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 10:06:31,758 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,758 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:31,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,759 - INFO - number of orbitals:  115
-2024-12-04 10:06:31,759 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,759 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,759 - INFO - moving on ...
-2024-12-04 10:06:31,759 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:31,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,760 - INFO - number of orbitals:  58
-2024-12-04 10:06:31,760 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,760 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,760 - INFO - moving on ...
-2024-12-04 10:06:31,760 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:31,760 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:31,760 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:31,761 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,761 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:31,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,762 - INFO - number of orbitals:  36
-2024-12-04 10:06:31,762 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,762 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,762 - INFO - moving on ...
-2024-12-04 10:06:31,762 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:31,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,763 - INFO - number of orbitals:  118
-2024-12-04 10:06:31,763 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,763 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,763 - INFO - moving on ...
-2024-12-04 10:06:31,763 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:31,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,764 - INFO - number of orbitals:  68
-2024-12-04 10:06:31,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,764 - INFO - moving on ...
-2024-12-04 10:06:31,764 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:31,764 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:31,764 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:31,764 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,764 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:31,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,766 - INFO - number of orbitals:  58
-2024-12-04 10:06:31,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,766 - INFO - moving on ...
-2024-12-04 10:06:31,766 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:31,766 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:31,766 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:31,766 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,766 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:31,766 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,766 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,766 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,768 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,768 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,768 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:31,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:31,768 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:31,778 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,779 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,779 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:31,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,781 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,781 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,781 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 10:06:31,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 10:06:31,781 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 10:06:31,791 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,791 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,791 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:31,792 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,792 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,792 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,793 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,793 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,793 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:31,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:31,794 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:31,804 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,804 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,804 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:31,804 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,805 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,805 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,807 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,807 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,807 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 10:06:31,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 10:06:31,807 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 10:06:31,817 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,818 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,818 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:31,818 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,818 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,818 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,820 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,820 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,820 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:31,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:31,820 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:31,831 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,832 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,832 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:31,832 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,832 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,832 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,834 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,834 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,834 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 10:06:31,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 10:06:31,834 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 10:06:31,846 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,846 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,846 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:31,846 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,846 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,846 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,848 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,848 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,848 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:31,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:31,848 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:31,859 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,859 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,860 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:31,860 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,862 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,862 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,862 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 10:06:31,862 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 10:06:31,862 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 10:06:31,872 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,873 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,873 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:31,873 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:31,873 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:31,873 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,873 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:31,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,875 - INFO - number of orbitals:  69
-2024-12-04 10:06:31,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,875 - INFO - moving on ...
-2024-12-04 10:06:31,875 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:31,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,875 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,875 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,877 - INFO - number of orbitals:  70
-2024-12-04 10:06:31,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,877 - INFO - moving on ...
-2024-12-04 10:06:31,877 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:31,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,879 - INFO - number of orbitals:  69
-2024-12-04 10:06:31,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,879 - INFO - moving on ...
-2024-12-04 10:06:31,879 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:31,879 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:31,879 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:31,879 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,879 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:31,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,881 - INFO - number of orbitals:  48
-2024-12-04 10:06:31,881 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,881 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,881 - INFO - moving on ...
-2024-12-04 10:06:31,881 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:31,881 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:31,881 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:31,881 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,881 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:31,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,882 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,882 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,882 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 10:06:31,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 10:06:31,882 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 10:06:31,893 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,893 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,893 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 10:06:31,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 10:06:31,893 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,893 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:31,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,894 - INFO - number of orbitals:  115
-2024-12-04 10:06:31,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,895 - INFO - moving on ...
-2024-12-04 10:06:31,895 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:31,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,896 - INFO - number of orbitals:  58
-2024-12-04 10:06:31,896 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,896 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,896 - INFO - moving on ...
-2024-12-04 10:06:31,896 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:31,896 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:31,896 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:31,896 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,896 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:31,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,897 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,897 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,897 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 10:06:31,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 10:06:31,897 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 10:06:31,908 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,908 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,908 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:31,908 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:31,908 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:31,908 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,909 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:31,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,910 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,910 - INFO - number of supporting files: 2
-2024-12-04 10:06:31,910 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 10:06:31,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 10:06:31,910 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 10:06:31,920 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,921 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,921 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 10:06:31,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 10:06:31,921 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:31,921 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:31,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,922 - INFO - number of orbitals:  76
-2024-12-04 10:06:31,922 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,922 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,923 - INFO - moving on ...
-2024-12-04 10:06:31,923 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:31,923 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:31,923 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:31,923 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,923 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:31,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,924 - INFO - number of orbitals:  42
-2024-12-04 10:06:31,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,924 - INFO - moving on ...
-2024-12-04 10:06:31,924 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:31,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,925 - INFO - number of orbitals:  90
-2024-12-04 10:06:31,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:31,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:31,925 - INFO - moving on ...
-2024-12-04 10:06:31,925 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:31,926 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:31,926 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:31,926 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:31,926 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:31,926 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,926 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,926 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,928 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,928 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,928 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:31,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:31,928 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:31,938 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,939 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,939 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:31,939 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,939 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,939 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,941 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,941 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,941 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:31,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:31,941 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:31,952 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,952 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,952 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:31,952 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,952 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,952 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,954 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,954 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,954 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:31,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:31,955 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:31,965 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,965 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,965 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:31,966 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,966 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,966 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,968 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,968 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,968 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:31,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:31,968 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:31,978 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,979 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,979 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:31,979 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,979 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,979 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,981 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,981 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,981 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 10:06:31,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 10:06:31,981 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 10:06:31,992 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:31,992 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:31,992 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:31,992 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:31,992 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:31,992 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:31,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:31,994 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:31,994 - INFO - number of supporting files: 1
-2024-12-04 10:06:31,994 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 10:06:31,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 10:06:31,994 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 10:06:32,005 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,005 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,005 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:32,005 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,006 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,006 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,007 - INFO - number of orbitals:  45
-2024-12-04 10:06:32,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,008 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,008 - INFO - moving on ...
-2024-12-04 10:06:32,008 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:32,008 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,008 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,008 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,009 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,009 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,010 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 10:06:32,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 10:06:32,010 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 10:06:32,020 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,021 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,021 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:32,021 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,021 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,021 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,023 - INFO - number of orbitals:  42
-2024-12-04 10:06:32,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,023 - INFO - moving on ...
-2024-12-04 10:06:32,023 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:32,023 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:32,023 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:32,023 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,023 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:32,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,025 - INFO - number of orbitals:  47
-2024-12-04 10:06:32,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,025 - INFO - moving on ...
-2024-12-04 10:06:32,025 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:32,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,026 - INFO - number of orbitals:  106
-2024-12-04 10:06:32,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,026 - INFO - moving on ...
-2024-12-04 10:06:32,026 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:32,026 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:32,027 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:32,027 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,027 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:32,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,028 - INFO - number of orbitals:  38
-2024-12-04 10:06:32,028 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,028 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,028 - INFO - moving on ...
-2024-12-04 10:06:32,028 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:32,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,029 - INFO - number of orbitals:  90
-2024-12-04 10:06:32,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,029 - INFO - moving on ...
-2024-12-04 10:06:32,029 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:32,030 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:32,030 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:32,030 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,030 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:32,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,032 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,032 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,032 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:32,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:32,032 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:32,043 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,043 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,043 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:32,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,043 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,043 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,045 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,045 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,045 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:32,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:32,045 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:32,056 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,056 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,056 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:32,056 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,057 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,058 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,059 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,059 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 10:06:32,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 10:06:32,059 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 10:06:32,070 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,070 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,070 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:32,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,072 - INFO - number of orbitals:  36
-2024-12-04 10:06:32,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,072 - INFO - moving on ...
-2024-12-04 10:06:32,072 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:32,072 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,072 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,072 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,074 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,074 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,074 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,074 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:32,074 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:32,074 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:32,085 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,085 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,085 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:32,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,086 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,087 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,088 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,088 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:32,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:32,088 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:32,098 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,099 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,099 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:32,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,101 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,101 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,101 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 10:06:32,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 10:06:32,101 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 10:06:32,112 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,112 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,112 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:32,113 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,113 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,113 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,115 - INFO - number of orbitals:  36
-2024-12-04 10:06:32,115 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,115 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,115 - INFO - moving on ...
-2024-12-04 10:06:32,115 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:32,115 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,115 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,115 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,116 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,117 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,117 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:32,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:32,117 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:32,127 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,127 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,127 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:32,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,128 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,128 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,130 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,130 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,130 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 10:06:32,130 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 10:06:32,130 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 10:06:32,140 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,140 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,140 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:32,140 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,142 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,142 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,143 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 10:06:32,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 10:06:32,143 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 10:06:32,153 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,153 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,153 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:32,153 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,153 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,153 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,155 - INFO - number of orbitals:  36
-2024-12-04 10:06:32,155 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,155 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,156 - INFO - moving on ...
-2024-12-04 10:06:32,156 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:32,156 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:32,156 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:32,156 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,156 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:32,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,157 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,157 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,157 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:32,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:32,157 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:32,167 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,168 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,168 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:32,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:32,168 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,168 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:32,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,169 - INFO - number of orbitals:  55
-2024-12-04 10:06:32,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,169 - INFO - moving on ...
-2024-12-04 10:06:32,169 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:32,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,171 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,171 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,171 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 10:06:32,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 10:06:32,171 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 10:06:32,181 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,181 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,181 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 10:06:32,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 10:06:32,181 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,181 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:32,182 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:32,182 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:32,182 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,182 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:32,182 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,182 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,182 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,184 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,184 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,184 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:32,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:32,184 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:32,194 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,194 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,194 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:32,194 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,194 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,194 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,196 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,196 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,196 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 10:06:32,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 10:06:32,196 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 10:06:32,207 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,207 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,207 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:32,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,207 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,208 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,209 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,209 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,210 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:32,210 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:32,210 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:32,220 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,220 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,220 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:32,220 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,221 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,221 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,222 - INFO - number of orbitals:  36
-2024-12-04 10:06:32,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,222 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,222 - INFO - moving on ...
-2024-12-04 10:06:32,223 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:32,223 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,223 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,223 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,224 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,224 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,224 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:32,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:32,224 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:32,235 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,235 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,235 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:32,235 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,235 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,235 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,237 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,237 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,237 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 10:06:32,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 10:06:32,237 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 10:06:32,248 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,248 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,248 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:32,248 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:32,249 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:32,249 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,249 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:32,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,251 - INFO - number of orbitals:  45
-2024-12-04 10:06:32,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,251 - INFO - moving on ...
-2024-12-04 10:06:32,251 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:32,251 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,251 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,251 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,253 - INFO - number of orbitals:  53
-2024-12-04 10:06:32,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,253 - INFO - moving on ...
-2024-12-04 10:06:32,253 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:32,253 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,253 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,253 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,255 - INFO - number of orbitals:  58
-2024-12-04 10:06:32,255 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,255 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,255 - INFO - moving on ...
-2024-12-04 10:06:32,255 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:32,255 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,255 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,255 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,256 - INFO - number of orbitals:  44
-2024-12-04 10:06:32,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,256 - INFO - moving on ...
-2024-12-04 10:06:32,256 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:32,257 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,257 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,257 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,258 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,258 - INFO - moving on ...
-2024-12-04 10:06:32,258 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:32,258 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,258 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,258 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,260 - INFO - number of orbitals:  55
-2024-12-04 10:06:32,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,260 - INFO - moving on ...
-2024-12-04 10:06:32,260 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:32,260 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,260 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,260 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,262 - INFO - number of orbitals:  44
-2024-12-04 10:06:32,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,262 - INFO - moving on ...
-2024-12-04 10:06:32,262 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:32,262 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,262 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,262 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,264 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,264 - INFO - moving on ...
-2024-12-04 10:06:32,264 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:32,264 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,264 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,264 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,266 - INFO - number of orbitals:  55
-2024-12-04 10:06:32,266 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,266 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,266 - INFO - moving on ...
-2024-12-04 10:06:32,266 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:32,266 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:32,266 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:32,266 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,266 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:32,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,267 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,267 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,267 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 10:06:32,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 10:06:32,268 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 10:06:32,278 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,278 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,278 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:32,279 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:32,279 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:32,279 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,279 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:32,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,280 - INFO - number of orbitals:  48
-2024-12-04 10:06:32,280 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,280 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,280 - INFO - moving on ...
-2024-12-04 10:06:32,280 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:32,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,282 - INFO - number of orbitals:  116
-2024-12-04 10:06:32,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,282 - INFO - moving on ...
-2024-12-04 10:06:32,282 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:32,282 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:32,282 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:32,282 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,282 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:32,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,283 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,283 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,283 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:32,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:32,283 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:32,293 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,294 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,294 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:32,294 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:32,294 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:32,294 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,294 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:32,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,295 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,295 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,296 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 10:06:32,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 10:06:32,296 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 10:06:32,306 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,306 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,306 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 10:06:32,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 10:06:32,306 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,306 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:32,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,307 - INFO - number of orbitals:  119
-2024-12-04 10:06:32,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,307 - INFO - moving on ...
-2024-12-04 10:06:32,307 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:32,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,309 - INFO - number of orbitals:  62
-2024-12-04 10:06:32,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,309 - INFO - moving on ...
-2024-12-04 10:06:32,309 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:32,309 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:32,309 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:32,309 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,309 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:32,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,310 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,310 - INFO - moving on ...
-2024-12-04 10:06:32,310 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:32,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,312 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,312 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,312 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,312 - INFO - moving on ...
-2024-12-04 10:06:32,312 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:32,312 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:32,312 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:32,312 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,312 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:32,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,313 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,313 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,313 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 10:06:32,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 10:06:32,313 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 10:06:32,324 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,324 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,325 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 10:06:32,325 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 10:06:32,325 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,325 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:32,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,326 - INFO - number of orbitals:  114
-2024-12-04 10:06:32,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,326 - INFO - moving on ...
-2024-12-04 10:06:32,326 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:32,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,328 - INFO - number of orbitals:  64
-2024-12-04 10:06:32,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,328 - INFO - moving on ...
-2024-12-04 10:06:32,328 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:32,328 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:32,328 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:32,328 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,328 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:32,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,329 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,329 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,329 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 10:06:32,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 10:06:32,329 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 10:06:32,340 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,340 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,340 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:32,340 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:32,341 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:32,341 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,341 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:32,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,342 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,342 - INFO - moving on ...
-2024-12-04 10:06:32,342 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:32,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,343 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,343 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,343 - INFO - moving on ...
-2024-12-04 10:06:32,343 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:32,344 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:32,344 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:32,344 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,344 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:32,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,345 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,345 - INFO - moving on ...
-2024-12-04 10:06:32,345 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:32,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,346 - INFO - number of orbitals:  135
-2024-12-04 10:06:32,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,346 - INFO - moving on ...
-2024-12-04 10:06:32,346 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:32,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,347 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,347 - INFO - moving on ...
-2024-12-04 10:06:32,347 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:32,348 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:32,348 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:32,348 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,348 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:32,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,349 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,349 - INFO - moving on ...
-2024-12-04 10:06:32,349 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:32,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,350 - INFO - number of orbitals:  135
-2024-12-04 10:06:32,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,350 - INFO - moving on ...
-2024-12-04 10:06:32,350 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:32,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,351 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,351 - INFO - moving on ...
-2024-12-04 10:06:32,351 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:32,351 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:32,352 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:32,352 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,352 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:32,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,353 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,353 - INFO - moving on ...
-2024-12-04 10:06:32,353 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:32,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,354 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,354 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,354 - INFO - moving on ...
-2024-12-04 10:06:32,354 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:32,354 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:32,354 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:32,354 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,354 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:32,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,355 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,355 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,355 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 10:06:32,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 10:06:32,355 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 10:06:32,366 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,366 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,366 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 10:06:32,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 10:06:32,366 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,366 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:32,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,367 - INFO - number of orbitals:  86
-2024-12-04 10:06:32,367 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,368 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,368 - INFO - moving on ...
-2024-12-04 10:06:32,368 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:32,368 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:32,368 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:32,368 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,368 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:32,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,369 - INFO - number of orbitals:  38
-2024-12-04 10:06:32,369 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,369 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,369 - INFO - moving on ...
-2024-12-04 10:06:32,369 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:32,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,370 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,370 - INFO - moving on ...
-2024-12-04 10:06:32,370 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:32,371 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:32,371 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:32,371 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,371 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:32,371 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,371 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,371 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,372 - INFO - number of orbitals:  42
-2024-12-04 10:06:32,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,372 - INFO - moving on ...
-2024-12-04 10:06:32,372 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:32,373 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,374 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,374 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,374 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:32,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:32,374 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:32,385 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,385 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,385 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:32,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,385 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,385 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,387 - INFO - number of orbitals:  90
-2024-12-04 10:06:32,387 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,387 - INFO - moving on ...
-2024-12-04 10:06:32,387 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:32,387 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,387 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,387 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,389 - INFO - number of orbitals:  42
-2024-12-04 10:06:32,389 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,389 - INFO - moving on ...
-2024-12-04 10:06:32,389 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:32,389 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,389 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,389 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,391 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,391 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,391 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:32,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:32,391 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:32,402 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,402 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,402 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:32,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,404 - INFO - number of orbitals:  90
-2024-12-04 10:06:32,404 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,404 - INFO - moving on ...
-2024-12-04 10:06:32,404 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:32,404 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:32,404 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:32,404 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,404 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:32,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,406 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,406 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,406 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 10:06:32,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 10:06:32,406 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 10:06:32,416 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,416 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,416 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:32,416 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:32,416 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:32,416 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,417 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:32,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,418 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,418 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,418 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,418 - INFO - moving on ...
-2024-12-04 10:06:32,418 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:32,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,419 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,419 - INFO - moving on ...
-2024-12-04 10:06:32,419 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:32,419 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:32,419 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:32,419 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,420 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:32,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,421 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,421 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,421 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 10:06:32,421 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 10:06:32,421 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 10:06:32,431 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,431 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,431 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 10:06:32,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 10:06:32,431 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,431 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:32,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,432 - INFO - number of orbitals:  110
-2024-12-04 10:06:32,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,433 - INFO - moving on ...
-2024-12-04 10:06:32,433 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:32,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,434 - INFO - number of orbitals:  60
-2024-12-04 10:06:32,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,434 - INFO - moving on ...
-2024-12-04 10:06:32,434 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:32,434 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:32,434 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:32,434 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,434 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:32,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,435 - INFO - number of orbitals:  76
-2024-12-04 10:06:32,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,435 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,435 - INFO - moving on ...
-2024-12-04 10:06:32,435 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:32,435 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:32,435 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:32,435 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,435 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:32,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,436 - INFO - number of orbitals:  76
-2024-12-04 10:06:32,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,437 - INFO - moving on ...
-2024-12-04 10:06:32,437 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:32,437 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:32,437 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:32,437 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,437 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:32,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,438 - INFO - number of orbitals:  52
-2024-12-04 10:06:32,438 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,438 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,438 - INFO - moving on ...
-2024-12-04 10:06:32,438 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:32,438 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:32,438 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:32,438 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,438 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:32,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,439 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,439 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,439 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 10:06:32,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 10:06:32,439 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 10:06:32,449 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,449 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,449 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 10:06:32,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 10:06:32,449 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,449 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:32,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,451 - INFO - number of orbitals:  119
-2024-12-04 10:06:32,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,451 - INFO - moving on ...
-2024-12-04 10:06:32,451 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:32,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,452 - INFO - number of orbitals:  62
-2024-12-04 10:06:32,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-04 10:06:32,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,452 - INFO - moving on ...
-2024-12-04 10:06:32,452 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:32,452 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:32,452 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:32,452 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,452 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:32,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,453 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,453 - INFO - moving on ...
-2024-12-04 10:06:32,453 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:32,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,454 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,455 - INFO - moving on ...
-2024-12-04 10:06:32,455 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:32,455 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:32,455 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:32,455 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,455 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:32,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,456 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,456 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,456 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 10:06:32,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 10:06:32,456 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 10:06:32,466 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,466 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,466 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 10:06:32,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 10:06:32,466 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,466 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:32,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,468 - INFO - number of orbitals:  118
-2024-12-04 10:06:32,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,468 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,468 - INFO - moving on ...
-2024-12-04 10:06:32,468 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:32,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,469 - INFO - number of orbitals:  68
-2024-12-04 10:06:32,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,469 - INFO - moving on ...
-2024-12-04 10:06:32,469 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:32,469 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:32,469 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:32,470 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,470 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:32,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,471 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,471 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,471 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 10:06:32,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 10:06:32,471 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 10:06:32,481 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,481 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,481 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 10:06:32,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 10:06:32,481 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,481 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:32,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,483 - INFO - number of orbitals:  110
-2024-12-04 10:06:32,483 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,483 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,483 - INFO - moving on ...
-2024-12-04 10:06:32,483 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:32,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,484 - INFO - number of orbitals:  60
-2024-12-04 10:06:32,484 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,484 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,484 - INFO - moving on ...
-2024-12-04 10:06:32,484 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:32,484 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:32,484 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:32,484 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,484 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:32,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,486 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,486 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,486 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 10:06:32,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 10:06:32,486 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 10:06:32,496 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,496 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,496 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 10:06:32,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 10:06:32,496 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,496 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:32,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,498 - INFO - number of orbitals:  115
-2024-12-04 10:06:32,498 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,498 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,498 - INFO - moving on ...
-2024-12-04 10:06:32,498 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:32,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,499 - INFO - number of orbitals:  58
-2024-12-04 10:06:32,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,499 - INFO - moving on ...
-2024-12-04 10:06:32,499 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:32,499 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:32,499 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:32,499 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,499 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:32,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,501 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,501 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,501 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-04 10:06:32,501 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-04 10:06:32,501 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-04 10:06:32,511 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,512 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,512 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-04 10:06:32,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-04 10:06:32,512 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,512 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:32,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,513 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,513 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,513 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,513 - INFO - moving on ...
-2024-12-04 10:06:32,513 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:32,514 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:32,514 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:32,514 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,514 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:32,514 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,514 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,514 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,516 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,516 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,516 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:32,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:32,516 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:32,526 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,527 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,527 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:32,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,529 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,529 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,529 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:32,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:32,529 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:32,539 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,539 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,539 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:32,539 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,539 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,539 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,541 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,541 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,542 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 10:06:32,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 10:06:32,542 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 10:06:32,552 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,552 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,552 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:32,552 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,553 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,553 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,554 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,554 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,554 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-04 10:06:32,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-04 10:06:32,554 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-04 10:06:32,565 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,565 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,565 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:32,565 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,567 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,567 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,567 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:32,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:32,567 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:32,578 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,578 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,578 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:32,578 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,578 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,578 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,580 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,580 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,580 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:32,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:32,580 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:32,590 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,590 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,590 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:32,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,593 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,593 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,593 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 10:06:32,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 10:06:32,593 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 10:06:32,604 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,604 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,604 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:32,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,605 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,605 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,607 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,607 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,607 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-04 10:06:32,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-04 10:06:32,607 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-04 10:06:32,617 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,618 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,618 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:32,618 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,618 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,618 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,620 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,620 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,620 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:32,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:32,620 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:32,631 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,631 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,631 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:32,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,631 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,631 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,633 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,633 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,633 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 10:06:32,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 10:06:32,634 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 10:06:32,644 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,644 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,644 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:32,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,644 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,646 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,646 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,646 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 10:06:32,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 10:06:32,646 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 10:06:32,656 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,657 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,657 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:32,657 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,657 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,657 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,659 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,659 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,659 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-04 10:06:32,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-04 10:06:32,659 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-04 10:06:32,669 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,669 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,669 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:32,670 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:32,670 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:32,670 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,670 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:32,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,671 - INFO - number of orbitals:  76
-2024-12-04 10:06:32,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,671 - INFO - moving on ...
-2024-12-04 10:06:32,671 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:32,671 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:32,672 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:32,672 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,672 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:32,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,673 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,673 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,673 - INFO - moving on ...
-2024-12-04 10:06:32,673 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:32,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,674 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,674 - INFO - moving on ...
-2024-12-04 10:06:32,674 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:32,674 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:32,674 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:32,675 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,675 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:32,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,676 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,676 - INFO - moving on ...
-2024-12-04 10:06:32,676 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:32,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,677 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,677 - INFO - moving on ...
-2024-12-04 10:06:32,677 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:32,677 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:32,678 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:32,678 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,678 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:32,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,678 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,679 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,679 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,679 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 10:06:32,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 10:06:32,679 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 10:06:32,689 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,690 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,690 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:32,690 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,690 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,690 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,691 - INFO - number of orbitals:  46
-2024-12-04 10:06:32,692 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,692 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,692 - INFO - moving on ...
-2024-12-04 10:06:32,692 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:32,692 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,692 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,692 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,693 - INFO - number of orbitals:  46
-2024-12-04 10:06:32,693 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,693 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,693 - INFO - moving on ...
-2024-12-04 10:06:32,693 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:32,693 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,694 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,694 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,695 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,695 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,695 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 10:06:32,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 10:06:32,695 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 10:06:32,705 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,705 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,705 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:32,706 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:32,706 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:32,706 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,706 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:32,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,707 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,707 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,707 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 10:06:32,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 10:06:32,707 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 10:06:32,717 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,718 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,718 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 10:06:32,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 10:06:32,718 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,718 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:32,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,719 - INFO - number of orbitals:  79
-2024-12-04 10:06:32,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,719 - INFO - moving on ...
-2024-12-04 10:06:32,719 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:32,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,721 - INFO - number of orbitals:  45
-2024-12-04 10:06:32,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,721 - INFO - moving on ...
-2024-12-04 10:06:32,721 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:32,721 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:32,721 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:32,721 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,721 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:32,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,722 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,722 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,722 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-04 10:06:32,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-04 10:06:32,722 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-04 10:06:32,733 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,733 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,733 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-04 10:06:32,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-04 10:06:32,733 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,733 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:32,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,735 - INFO - number of orbitals:  78
-2024-12-04 10:06:32,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,735 - INFO - moving on ...
-2024-12-04 10:06:32,735 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:32,735 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:32,735 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:32,735 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,735 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:32,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,736 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,736 - INFO - moving on ...
-2024-12-04 10:06:32,736 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:32,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,737 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,738 - INFO - moving on ...
-2024-12-04 10:06:32,738 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:32,738 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:32,738 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:32,738 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,738 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:32,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,739 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,739 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,739 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:32,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:32,739 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:32,749 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,749 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,749 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:32,749 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:32,749 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:32,749 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,749 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:32,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,751 - INFO - number of orbitals:  76
-2024-12-04 10:06:32,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,751 - INFO - moving on ...
-2024-12-04 10:06:32,751 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:32,751 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:32,751 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:32,751 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,751 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:32,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,752 - INFO - number of orbitals:  76
-2024-12-04 10:06:32,752 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,752 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,752 - INFO - moving on ...
-2024-12-04 10:06:32,752 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:32,753 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:32,753 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:32,753 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,753 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:32,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,754 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,754 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,754 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 10:06:32,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 10:06:32,754 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 10:06:32,764 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,764 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,765 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 10:06:32,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 10:06:32,765 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,765 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:32,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,766 - INFO - number of orbitals:  110
-2024-12-04 10:06:32,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,766 - INFO - moving on ...
-2024-12-04 10:06:32,766 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:32,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,767 - INFO - number of orbitals:  60
-2024-12-04 10:06:32,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,767 - INFO - moving on ...
-2024-12-04 10:06:32,767 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:32,768 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:32,768 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:32,768 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,768 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:32,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,769 - INFO - number of orbitals:  46
-2024-12-04 10:06:32,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,769 - INFO - moving on ...
-2024-12-04 10:06:32,769 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:32,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,770 - INFO - number of orbitals:  94
-2024-12-04 10:06:32,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,770 - INFO - moving on ...
-2024-12-04 10:06:32,770 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:32,771 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:32,771 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:32,771 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,771 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:32,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,772 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,772 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,772 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 10:06:32,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 10:06:32,772 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 10:06:32,783 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,783 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,783 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 10:06:32,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 10:06:32,783 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,783 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:32,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,785 - INFO - number of orbitals:  76
-2024-12-04 10:06:32,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,785 - INFO - moving on ...
-2024-12-04 10:06:32,785 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:32,785 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:32,785 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:32,785 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,785 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:32,785 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,785 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,785 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,787 - INFO - number of orbitals:  69
-2024-12-04 10:06:32,787 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,787 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,787 - INFO - moving on ...
-2024-12-04 10:06:32,787 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:32,787 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,787 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,787 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,789 - INFO - number of orbitals:  70
-2024-12-04 10:06:32,789 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,789 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,789 - INFO - moving on ...
-2024-12-04 10:06:32,789 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:32,789 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,789 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,789 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,791 - INFO - number of orbitals:  69
-2024-12-04 10:06:32,791 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,791 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,791 - INFO - moving on ...
-2024-12-04 10:06:32,791 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:32,791 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:32,791 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:32,791 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,791 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:32,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,792 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,792 - INFO - moving on ...
-2024-12-04 10:06:32,792 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:32,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,794 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,794 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,794 - INFO - moving on ...
-2024-12-04 10:06:32,794 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:32,794 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:32,794 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:32,794 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,794 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:32,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,795 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,795 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,795 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 10:06:32,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 10:06:32,795 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 10:06:32,806 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,806 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,806 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 10:06:32,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 10:06:32,806 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,806 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:32,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,808 - INFO - number of orbitals:  74
-2024-12-04 10:06:32,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,808 - INFO - moving on ...
-2024-12-04 10:06:32,808 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:32,808 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:32,808 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:32,808 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,808 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:32,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,809 - INFO - number of orbitals:  66
-2024-12-04 10:06:32,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,810 - INFO - moving on ...
-2024-12-04 10:06:32,810 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:32,810 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:32,810 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:32,810 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,810 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:32,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,811 - INFO - number of orbitals:  54
-2024-12-04 10:06:32,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,811 - INFO - moving on ...
-2024-12-04 10:06:32,811 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:32,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,812 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,812 - INFO - moving on ...
-2024-12-04 10:06:32,813 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:32,813 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:32,813 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:32,813 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,813 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:32,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,814 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,814 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,814 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 10:06:32,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 10:06:32,814 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 10:06:32,824 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,825 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,825 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 10:06:32,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 10:06:32,825 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,825 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:32,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,826 - INFO - number of orbitals:  119
-2024-12-04 10:06:32,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,826 - INFO - moving on ...
-2024-12-04 10:06:32,826 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:32,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,827 - INFO - number of orbitals:  62
-2024-12-04 10:06:32,827 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,827 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,828 - INFO - moving on ...
-2024-12-04 10:06:32,828 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:32,828 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:32,828 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:32,828 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,828 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:32,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,829 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,829 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,829 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 10:06:32,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 10:06:32,829 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 10:06:32,839 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,839 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,839 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 10:06:32,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 10:06:32,839 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,839 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:32,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,840 - INFO - number of orbitals:  79
-2024-12-04 10:06:32,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,840 - INFO - moving on ...
-2024-12-04 10:06:32,840 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:32,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,842 - INFO - number of orbitals:  45
-2024-12-04 10:06:32,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,842 - INFO - moving on ...
-2024-12-04 10:06:32,842 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:32,842 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:32,842 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:32,842 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,842 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:32,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,843 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,843 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,843 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 10:06:32,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 10:06:32,843 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 10:06:32,853 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,853 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,853 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 10:06:32,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 10:06:32,853 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,853 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:32,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,855 - INFO - number of orbitals:  118
-2024-12-04 10:06:32,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,855 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,855 - INFO - moving on ...
-2024-12-04 10:06:32,855 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:32,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,856 - INFO - number of orbitals:  68
-2024-12-04 10:06:32,856 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,856 - INFO - moving on ...
-2024-12-04 10:06:32,856 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:32,856 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:32,856 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:32,856 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,856 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:32,856 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,856 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,856 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,858 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,858 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,858 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 10:06:32,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 10:06:32,858 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 10:06:32,869 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,869 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,869 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:32,869 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,869 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,869 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,871 - INFO - number of orbitals:  108
-2024-12-04 10:06:32,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,871 - INFO - moving on ...
-2024-12-04 10:06:32,871 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:32,871 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:32,871 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:32,871 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,871 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:32,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,873 - INFO - number of orbitals:  70
-2024-12-04 10:06:32,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,873 - INFO - moving on ...
-2024-12-04 10:06:32,873 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:32,873 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:32,873 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:32,873 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,873 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:32,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,874 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,874 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,874 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:32,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:32,874 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:32,884 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,885 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,885 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:32,885 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:32,885 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:32,885 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,885 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:32,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,886 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,886 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,886 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-04 10:06:32,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-04 10:06:32,886 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-04 10:06:32,896 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,897 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,897 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-04 10:06:32,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-04 10:06:32,897 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,897 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:32,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,898 - INFO - number of orbitals:  118
-2024-12-04 10:06:32,898 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,898 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,898 - INFO - moving on ...
-2024-12-04 10:06:32,898 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:32,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,899 - INFO - number of orbitals:  68
-2024-12-04 10:06:32,900 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,900 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,900 - INFO - moving on ...
-2024-12-04 10:06:32,900 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:32,900 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:32,900 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:32,900 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,900 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:32,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,901 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,901 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,901 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 10:06:32,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 10:06:32,901 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 10:06:32,911 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,912 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,912 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 10:06:32,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 10:06:32,912 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,912 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:32,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,913 - INFO - number of orbitals:  114
-2024-12-04 10:06:32,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,913 - INFO - moving on ...
-2024-12-04 10:06:32,913 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:32,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,915 - INFO - number of orbitals:  64
-2024-12-04 10:06:32,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,915 - INFO - moving on ...
-2024-12-04 10:06:32,915 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:32,915 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:32,915 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:32,915 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,915 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:32,915 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,915 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,915 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,917 - INFO - number of orbitals:  42
-2024-12-04 10:06:32,917 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,917 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,917 - INFO - moving on ...
-2024-12-04 10:06:32,917 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:32,917 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,919 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,919 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,919 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:32,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:32,919 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:32,929 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,930 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,930 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:32,930 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,930 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,930 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,932 - INFO - number of orbitals:  90
-2024-12-04 10:06:32,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,932 - INFO - moving on ...
-2024-12-04 10:06:32,932 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:32,932 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,932 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,932 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,934 - INFO - number of orbitals:  42
-2024-12-04 10:06:32,934 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,934 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,934 - INFO - moving on ...
-2024-12-04 10:06:32,934 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:32,934 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,934 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,934 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,936 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,936 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,936 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:32,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:32,936 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:32,946 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,947 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,947 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:32,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:32,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:32,947 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:32,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,949 - INFO - number of orbitals:  90
-2024-12-04 10:06:32,949 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,949 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,949 - INFO - moving on ...
-2024-12-04 10:06:32,949 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:32,949 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:32,949 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:32,949 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,949 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:32,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,951 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,951 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,951 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-04 10:06:32,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-04 10:06:32,951 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-04 10:06:32,962 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,962 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,962 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-04 10:06:32,962 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-04 10:06:32,962 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,962 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:32,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,964 - INFO - number of orbitals:  88
-2024-12-04 10:06:32,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,964 - INFO - moving on ...
-2024-12-04 10:06:32,964 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:32,964 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:32,964 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:32,964 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,964 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:32,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,965 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,965 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,965 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:32,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:32,965 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:32,976 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,976 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,976 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:32,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:32,976 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:32,976 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:32,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,978 - INFO - number of orbitals:  85
-2024-12-04 10:06:32,978 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,978 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,978 - INFO - moving on ...
-2024-12-04 10:06:32,978 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:32,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,979 - INFO - number of orbitals:  44
-2024-12-04 10:06:32,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:32,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:32,979 - INFO - moving on ...
-2024-12-04 10:06:32,979 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:32,979 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:32,979 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:32,979 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,979 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:32,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,980 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,980 - INFO - number of supporting files: 1
-2024-12-04 10:06:32,981 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:32,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:32,981 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:32,991 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:32,991 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:32,991 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:32,991 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:32,991 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:32,991 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:32,991 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:32,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:32,993 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:32,993 - INFO - number of supporting files: 2
-2024-12-04 10:06:32,993 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 10:06:32,993 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 10:06:32,993 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 10:06:33,003 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,004 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,004 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 10:06:33,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 10:06:33,004 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,004 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:33,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,005 - INFO - number of orbitals:  89
-2024-12-04 10:06:33,005 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,005 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,005 - INFO - moving on ...
-2024-12-04 10:06:33,005 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:33,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,006 - INFO - number of orbitals:  48
-2024-12-04 10:06:33,006 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,006 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,007 - INFO - moving on ...
-2024-12-04 10:06:33,007 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:33,007 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:33,007 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:33,007 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,007 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:33,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,008 - INFO - number of orbitals:  69
-2024-12-04 10:06:33,008 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,008 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,008 - INFO - moving on ...
-2024-12-04 10:06:33,008 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:33,008 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:33,008 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:33,008 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,008 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:33,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,009 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,009 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,009 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 10:06:33,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 10:06:33,010 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,020 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,020 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,020 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 10:06:33,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 10:06:33,020 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,021 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:33,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,022 - INFO - number of orbitals:  110
-2024-12-04 10:06:33,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,022 - INFO - moving on ...
-2024-12-04 10:06:33,022 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:33,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,023 - INFO - number of orbitals:  60
-2024-12-04 10:06:33,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,023 - INFO - moving on ...
-2024-12-04 10:06:33,023 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:33,023 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:33,023 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:33,024 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,024 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:33,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,025 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,025 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,025 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 10:06:33,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 10:06:33,025 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 10:06:33,035 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,035 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,035 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:33,036 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:33,036 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:33,036 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,036 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:33,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,037 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,037 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,037 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,037 - INFO - moving on ...
-2024-12-04 10:06:33,037 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:33,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,039 - INFO - number of orbitals:  135
-2024-12-04 10:06:33,039 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,039 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,039 - INFO - moving on ...
-2024-12-04 10:06:33,039 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:33,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,040 - INFO - number of orbitals:  88
-2024-12-04 10:06:33,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,040 - INFO - moving on ...
-2024-12-04 10:06:33,040 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:33,040 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:33,040 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:33,040 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,040 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:33,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,042 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,042 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,042 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,042 - INFO - moving on ...
-2024-12-04 10:06:33,042 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:33,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,043 - INFO - number of orbitals:  88
-2024-12-04 10:06:33,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,043 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,043 - INFO - moving on ...
-2024-12-04 10:06:33,043 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:33,043 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:33,043 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:33,043 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,043 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:33,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,044 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,044 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,045 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 10:06:33,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 10:06:33,045 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 10:06:33,055 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,056 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,056 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:33,056 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:33,056 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:33,056 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,056 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:33,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,057 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,058 - INFO - moving on ...
-2024-12-04 10:06:33,058 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:33,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,059 - INFO - number of orbitals:  88
-2024-12-04 10:06:33,059 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,059 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,059 - INFO - moving on ...
-2024-12-04 10:06:33,059 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:33,059 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:33,059 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:33,059 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,059 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:33,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,060 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,061 - INFO - moving on ...
-2024-12-04 10:06:33,061 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:33,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,062 - INFO - number of orbitals:  88
-2024-12-04 10:06:33,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,062 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,062 - INFO - moving on ...
-2024-12-04 10:06:33,062 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:33,063 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:33,063 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:33,063 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,063 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:33,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,065 - INFO - number of orbitals:  55
-2024-12-04 10:06:33,065 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,065 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,065 - INFO - moving on ...
-2024-12-04 10:06:33,065 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:33,065 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,065 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,065 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,067 - INFO - number of orbitals:  70
-2024-12-04 10:06:33,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,067 - INFO - moving on ...
-2024-12-04 10:06:33,067 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:33,067 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,067 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,067 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,068 - INFO - number of orbitals:  55
-2024-12-04 10:06:33,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,069 - INFO - moving on ...
-2024-12-04 10:06:33,069 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:33,069 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,069 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,069 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,070 - INFO - number of orbitals:  69
-2024-12-04 10:06:33,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,071 - INFO - moving on ...
-2024-12-04 10:06:33,071 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:33,071 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,071 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,071 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,072 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,072 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,072 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 10:06:33,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 10:06:33,072 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 10:06:33,083 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,084 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,084 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:33,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,086 - INFO - number of orbitals:  45
-2024-12-04 10:06:33,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,086 - INFO - moving on ...
-2024-12-04 10:06:33,086 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:33,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,086 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,088 - INFO - number of orbitals:  55
-2024-12-04 10:06:33,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,088 - INFO - moving on ...
-2024-12-04 10:06:33,088 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:33,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,089 - INFO - number of orbitals:  69
-2024-12-04 10:06:33,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,090 - INFO - moving on ...
-2024-12-04 10:06:33,090 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:33,090 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,090 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,090 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,091 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,091 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,091 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 10:06:33,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 10:06:33,092 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 10:06:33,102 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,102 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,102 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:33,102 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,102 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,102 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,104 - INFO - number of orbitals:  45
-2024-12-04 10:06:33,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,104 - INFO - moving on ...
-2024-12-04 10:06:33,104 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:33,104 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,105 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,105 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,106 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,106 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,106 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 10:06:33,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 10:06:33,106 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 10:06:33,117 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,117 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,117 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:33,117 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,119 - INFO - number of orbitals:  45
-2024-12-04 10:06:33,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,120 - INFO - moving on ...
-2024-12-04 10:06:33,120 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:33,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,121 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,122 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,122 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 10:06:33,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 10:06:33,122 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 10:06:33,132 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,132 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,132 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:33,132 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,132 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,132 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,134 - INFO - number of orbitals:  45
-2024-12-04 10:06:33,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,134 - INFO - moving on ...
-2024-12-04 10:06:33,134 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:33,134 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,134 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,134 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,136 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,136 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,136 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 10:06:33,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 10:06:33,136 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 10:06:33,146 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,147 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,147 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:33,147 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,147 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,147 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,149 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,149 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,149 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-04 10:06:33,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-04 10:06:33,149 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-04 10:06:33,159 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,160 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,160 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:33,160 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:33,160 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:33,160 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,160 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:33,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,162 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,162 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,162 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:33,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:33,162 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,172 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,173 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,173 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:33,173 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,173 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,173 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,175 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,175 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,175 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 10:06:33,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 10:06:33,175 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 10:06:33,185 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,185 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,185 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:33,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,186 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,187 - INFO - number of orbitals:  68
-2024-12-04 10:06:33,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,187 - INFO - moving on ...
-2024-12-04 10:06:33,187 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:33,187 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,189 - INFO - number of orbitals:  76
-2024-12-04 10:06:33,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,189 - INFO - moving on ...
-2024-12-04 10:06:33,189 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:33,189 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,190 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,190 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,191 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,191 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,191 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:33,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:33,191 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:33,201 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,202 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,202 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:33,202 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,204 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,204 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,204 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 10:06:33,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 10:06:33,204 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 10:06:33,214 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,214 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,214 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:33,214 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,216 - INFO - number of orbitals:  68
-2024-12-04 10:06:33,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,216 - INFO - moving on ...
-2024-12-04 10:06:33,216 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:33,216 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,216 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,216 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,218 - INFO - number of orbitals:  76
-2024-12-04 10:06:33,218 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,218 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,218 - INFO - moving on ...
-2024-12-04 10:06:33,218 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:33,218 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,218 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,218 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,220 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,220 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,220 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:33,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:33,220 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:33,230 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,231 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,231 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:33,231 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,231 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,231 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,233 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,233 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,233 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 10:06:33,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 10:06:33,233 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 10:06:33,244 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,244 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,244 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:33,244 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,246 - INFO - number of orbitals:  68
-2024-12-04 10:06:33,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,246 - INFO - moving on ...
-2024-12-04 10:06:33,246 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:33,246 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,246 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,246 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,248 - INFO - number of orbitals:  76
-2024-12-04 10:06:33,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,248 - INFO - moving on ...
-2024-12-04 10:06:33,248 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:33,248 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:33,248 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:33,248 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,248 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:33,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,249 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,250 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,250 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 10:06:33,250 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 10:06:33,250 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 10:06:33,260 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,260 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,260 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 10:06:33,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 10:06:33,261 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,261 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:33,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,262 - INFO - number of orbitals:  110
-2024-12-04 10:06:33,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,262 - INFO - moving on ...
-2024-12-04 10:06:33,262 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:33,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,263 - INFO - number of orbitals:  60
-2024-12-04 10:06:33,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,264 - INFO - moving on ...
-2024-12-04 10:06:33,264 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:33,264 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:33,264 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:33,264 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,264 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:33,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,265 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,265 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,265 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 10:06:33,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 10:06:33,265 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 10:06:33,275 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,276 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,276 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 10:06:33,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 10:06:33,276 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,276 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:33,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,277 - INFO - number of orbitals:  110
-2024-12-04 10:06:33,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,277 - INFO - moving on ...
-2024-12-04 10:06:33,277 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:33,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,279 - INFO - number of orbitals:  60
-2024-12-04 10:06:33,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,279 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,279 - INFO - moving on ...
-2024-12-04 10:06:33,279 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:33,279 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:33,279 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:33,279 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,279 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:33,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,280 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,280 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,280 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,280 - INFO - moving on ...
-2024-12-04 10:06:33,280 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:33,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,282 - INFO - number of orbitals:  135
-2024-12-04 10:06:33,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,282 - INFO - moving on ...
-2024-12-04 10:06:33,282 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:33,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,283 - INFO - number of orbitals:  88
-2024-12-04 10:06:33,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,283 - INFO - moving on ...
-2024-12-04 10:06:33,283 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:33,283 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:33,283 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:33,283 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,283 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:33,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,284 - INFO - number of orbitals:  52
-2024-12-04 10:06:33,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,285 - INFO - moving on ...
-2024-12-04 10:06:33,285 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:33,285 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:33,285 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:33,285 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,285 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:33,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,286 - INFO - number of orbitals:  69
-2024-12-04 10:06:33,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,286 - INFO - moving on ...
-2024-12-04 10:06:33,286 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:33,286 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:33,286 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:33,286 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,286 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:33,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,287 - INFO - number of orbitals:  76
-2024-12-04 10:06:33,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,288 - INFO - moving on ...
-2024-12-04 10:06:33,288 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:33,288 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:33,288 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:33,288 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,288 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:33,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,289 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,289 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,289 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 10:06:33,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 10:06:33,289 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 10:06:33,300 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,301 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,301 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:33,301 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:33,301 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:33,301 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,301 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:33,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,303 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,303 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,303 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-04 10:06:33,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-04 10:06:33,303 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-04 10:06:33,314 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,314 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,314 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-04 10:06:33,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-04 10:06:33,314 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,314 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:33,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,316 - INFO - number of orbitals:  90
-2024-12-04 10:06:33,316 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,316 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,316 - INFO - moving on ...
-2024-12-04 10:06:33,316 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:33,316 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:33,316 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:33,316 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,316 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:33,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,317 - INFO - number of orbitals:  76
-2024-12-04 10:06:33,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,317 - INFO - moving on ...
-2024-12-04 10:06:33,317 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:33,317 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:33,317 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:33,317 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,318 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:33,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,319 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,319 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,319 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 10:06:33,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 10:06:33,319 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 10:06:33,329 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,329 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,329 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 10:06:33,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 10:06:33,330 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,330 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:33,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,331 - INFO - number of orbitals:  86
-2024-12-04 10:06:33,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,331 - INFO - moving on ...
-2024-12-04 10:06:33,331 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:33,331 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:33,331 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:33,331 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,331 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:33,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,333 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,333 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,333 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-04 10:06:33,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-04 10:06:33,333 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-04 10:06:33,343 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,343 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,343 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-04 10:06:33,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-04 10:06:33,344 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,344 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:33,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,345 - INFO - number of orbitals:  88
-2024-12-04 10:06:33,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,345 - INFO - moving on ...
-2024-12-04 10:06:33,345 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:33,345 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:33,345 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:33,345 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,345 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:33,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,347 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,347 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,347 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 10:06:33,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 10:06:33,347 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 10:06:33,357 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,357 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,357 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 10:06:33,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 10:06:33,357 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,358 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:33,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,359 - INFO - number of orbitals:  64
-2024-12-04 10:06:33,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,359 - INFO - moving on ...
-2024-12-04 10:06:33,359 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:33,359 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:33,359 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:33,359 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,359 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:33,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,360 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,360 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,361 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:33,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:33,361 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:33,371 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,372 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,372 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:33,372 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:33,372 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:33,372 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,372 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:33,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,373 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,373 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,373 - INFO - moving on ...
-2024-12-04 10:06:33,374 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:33,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,375 - INFO - number of orbitals:  135
-2024-12-04 10:06:33,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,375 - INFO - moving on ...
-2024-12-04 10:06:33,375 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:33,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,376 - INFO - number of orbitals:  88
-2024-12-04 10:06:33,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,376 - INFO - moving on ...
-2024-12-04 10:06:33,376 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:33,376 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:33,376 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:33,376 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,376 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:33,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,378 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,378 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,378 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-04 10:06:33,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-04 10:06:33,378 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-04 10:06:33,388 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,389 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,389 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-04 10:06:33,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-04 10:06:33,389 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,389 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:33,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,390 - INFO - number of orbitals:  118
-2024-12-04 10:06:33,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,390 - INFO - moving on ...
-2024-12-04 10:06:33,390 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:33,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,392 - INFO - number of orbitals:  68
-2024-12-04 10:06:33,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,392 - INFO - moving on ...
-2024-12-04 10:06:33,392 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:33,392 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:33,392 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:33,392 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,392 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:33,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,393 - INFO - number of orbitals:  47
-2024-12-04 10:06:33,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,393 - INFO - moving on ...
-2024-12-04 10:06:33,393 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:33,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,395 - INFO - number of orbitals:  106
-2024-12-04 10:06:33,395 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,395 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,395 - INFO - moving on ...
-2024-12-04 10:06:33,395 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:33,395 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:33,395 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:33,395 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,395 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:33,395 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,395 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,395 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,397 - INFO - number of orbitals:  45
-2024-12-04 10:06:33,397 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,397 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,397 - INFO - moving on ...
-2024-12-04 10:06:33,397 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:33,397 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,397 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,397 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,399 - INFO - number of orbitals:  53
-2024-12-04 10:06:33,399 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,399 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,399 - INFO - moving on ...
-2024-12-04 10:06:33,399 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:33,399 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,399 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,399 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,400 - INFO - number of orbitals:  58
-2024-12-04 10:06:33,401 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,401 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,401 - INFO - moving on ...
-2024-12-04 10:06:33,401 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:33,401 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,401 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,402 - INFO - number of orbitals:  44
-2024-12-04 10:06:33,402 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,402 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,402 - INFO - moving on ...
-2024-12-04 10:06:33,402 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:33,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,403 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,403 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,404 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,404 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,404 - INFO - moving on ...
-2024-12-04 10:06:33,404 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:33,404 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,404 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,404 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,406 - INFO - number of orbitals:  55
-2024-12-04 10:06:33,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,406 - INFO - moving on ...
-2024-12-04 10:06:33,406 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:33,406 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,406 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,406 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,408 - INFO - number of orbitals:  44
-2024-12-04 10:06:33,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,408 - INFO - moving on ...
-2024-12-04 10:06:33,408 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:33,408 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,408 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,408 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,409 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,410 - INFO - moving on ...
-2024-12-04 10:06:33,410 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:33,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,411 - INFO - number of orbitals:  55
-2024-12-04 10:06:33,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,411 - INFO - moving on ...
-2024-12-04 10:06:33,411 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:33,412 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:33,412 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:33,412 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,412 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:33,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,413 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,413 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,413 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 10:06:33,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 10:06:33,413 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 10:06:33,423 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,424 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,424 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 10:06:33,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 10:06:33,424 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,424 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:33,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,425 - INFO - number of orbitals:  119
-2024-12-04 10:06:33,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,425 - INFO - moving on ...
-2024-12-04 10:06:33,425 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:33,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,427 - INFO - number of orbitals:  62
-2024-12-04 10:06:33,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,427 - INFO - moving on ...
-2024-12-04 10:06:33,427 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:33,427 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:33,427 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:33,427 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,427 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:33,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,428 - INFO - number of orbitals:  42
-2024-12-04 10:06:33,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,428 - INFO - moving on ...
-2024-12-04 10:06:33,428 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:33,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,429 - INFO - number of orbitals:  90
-2024-12-04 10:06:33,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,430 - INFO - moving on ...
-2024-12-04 10:06:33,430 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:33,430 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:33,430 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:33,430 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,430 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:33,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,431 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,431 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,431 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:33,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:33,431 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:33,441 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,441 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,441 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:33,441 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:33,441 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,442 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:33,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,443 - INFO - number of orbitals:  85
-2024-12-04 10:06:33,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,443 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,443 - INFO - moving on ...
-2024-12-04 10:06:33,443 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:33,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,444 - INFO - number of orbitals:  44
-2024-12-04 10:06:33,444 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,444 - INFO - moving on ...
-2024-12-04 10:06:33,444 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:33,444 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:33,445 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:33,445 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,445 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:33,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,446 - INFO - number of orbitals:  76
-2024-12-04 10:06:33,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,446 - INFO - moving on ...
-2024-12-04 10:06:33,446 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:33,446 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:33,446 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:33,446 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,446 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:33,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,447 - INFO - number of orbitals:  76
-2024-12-04 10:06:33,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,448 - INFO - moving on ...
-2024-12-04 10:06:33,448 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:33,448 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:33,448 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:33,448 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,448 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:33,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,449 - INFO - number of orbitals:  48
-2024-12-04 10:06:33,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,449 - INFO - moving on ...
-2024-12-04 10:06:33,449 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:33,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,450 - INFO - number of orbitals:  116
-2024-12-04 10:06:33,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,450 - INFO - moving on ...
-2024-12-04 10:06:33,450 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:33,451 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:33,451 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:33,451 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,451 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:33,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,452 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,452 - INFO - moving on ...
-2024-12-04 10:06:33,452 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:33,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,453 - INFO - number of orbitals:  88
-2024-12-04 10:06:33,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,453 - INFO - moving on ...
-2024-12-04 10:06:33,453 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:33,453 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:33,453 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:33,453 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,453 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:33,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,455 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,455 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,455 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:33,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:33,455 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:33,465 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,465 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,465 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:33,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:33,466 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,466 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:33,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,467 - INFO - number of orbitals:  55
-2024-12-04 10:06:33,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,467 - INFO - moving on ...
-2024-12-04 10:06:33,467 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:33,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,468 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,468 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,468 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 10:06:33,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 10:06:33,468 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 10:06:33,479 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,479 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,479 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 10:06:33,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 10:06:33,479 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,479 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:33,479 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:33,479 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:33,480 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,480 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:33,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,482 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,482 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,482 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:33,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:33,482 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,492 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,493 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,493 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:33,493 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,493 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,493 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,494 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,495 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,495 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 10:06:33,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 10:06:33,495 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 10:06:33,505 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,506 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,506 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:33,506 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,506 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,506 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,508 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,508 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,508 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:33,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:33,508 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:33,518 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,518 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,518 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:33,518 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,519 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,519 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,520 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,520 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,520 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 10:06:33,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 10:06:33,521 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,531 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,531 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,531 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:33,531 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,531 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,531 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,533 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,533 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,533 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:33,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:33,533 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:33,544 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,544 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,544 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:33,544 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,544 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,544 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,546 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,546 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,546 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 10:06:33,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 10:06:33,546 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 10:06:33,556 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,557 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,557 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:33,557 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,559 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,559 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,559 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:33,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:33,559 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:33,570 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,570 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,570 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:33,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,572 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,572 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,572 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 10:06:33,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 10:06:33,572 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 10:06:33,582 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,583 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,583 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:33,583 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:33,583 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:33,583 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,583 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:33,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,584 - INFO - number of orbitals:  48
-2024-12-04 10:06:33,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,584 - INFO - moving on ...
-2024-12-04 10:06:33,584 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:33,585 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:33,585 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:33,585 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,585 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:33,585 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,585 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,585 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,587 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,587 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,587 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:33,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:33,587 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:33,596 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,597 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,597 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:33,597 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,597 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,597 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,599 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,599 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,599 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 10:06:33,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 10:06:33,599 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 10:06:33,610 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,610 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,610 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:33,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,611 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,611 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,613 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,613 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,613 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:33,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:33,613 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,624 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,624 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,624 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:33,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,626 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,627 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,627 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-04 10:06:33,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-04 10:06:33,627 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-04 10:06:33,637 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,637 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,637 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:33,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,638 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,638 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,639 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,639 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,639 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:33,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:33,640 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:33,649 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,649 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,649 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:33,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,649 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,649 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,651 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,651 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,651 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 10:06:33,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 10:06:33,651 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,661 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,661 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,661 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:33,662 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:33,662 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:33,662 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,662 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:33,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,663 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,663 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,663 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 10:06:33,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 10:06:33,663 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 10:06:33,674 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,674 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,674 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 10:06:33,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 10:06:33,674 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,674 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:33,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,675 - INFO - number of orbitals:  115
-2024-12-04 10:06:33,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,676 - INFO - moving on ...
-2024-12-04 10:06:33,676 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:33,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,677 - INFO - number of orbitals:  58
-2024-12-04 10:06:33,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,677 - INFO - moving on ...
-2024-12-04 10:06:33,677 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:33,677 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:33,677 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:33,677 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,677 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:33,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,679 - INFO - number of orbitals:  54
-2024-12-04 10:06:33,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,679 - INFO - moving on ...
-2024-12-04 10:06:33,679 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:33,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,680 - INFO - number of orbitals:  88
-2024-12-04 10:06:33,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,680 - INFO - moving on ...
-2024-12-04 10:06:33,680 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:33,680 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:33,680 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:33,680 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,680 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:33,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,682 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,682 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,682 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 10:06:33,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 10:06:33,682 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 10:06:33,693 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,693 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,693 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 10:06:33,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 10:06:33,693 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,693 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:33,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,695 - INFO - number of orbitals:  72
-2024-12-04 10:06:33,695 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,695 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,695 - INFO - moving on ...
-2024-12-04 10:06:33,695 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:33,695 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:33,695 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:33,695 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,695 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:33,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,697 - INFO - number of orbitals:  48
-2024-12-04 10:06:33,697 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,697 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,697 - INFO - moving on ...
-2024-12-04 10:06:33,697 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:33,698 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,698 - INFO - number of orbitals:  116
-2024-12-04 10:06:33,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,698 - INFO - moving on ...
-2024-12-04 10:06:33,698 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:33,699 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:33,699 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:33,699 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,699 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:33,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,699 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,699 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,701 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,701 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,701 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:33,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:33,701 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:33,711 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,712 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,712 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:33,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,714 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,714 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,714 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:33,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:33,714 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:33,724 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,725 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,725 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:33,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,727 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,727 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,727 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:33,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:33,727 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:33,738 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,738 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,738 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:33,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,738 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,738 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,740 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,740 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,740 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:33,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:33,740 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:33,751 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,752 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,752 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:33,752 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,752 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,752 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,754 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,754 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,754 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 10:06:33,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 10:06:33,754 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 10:06:33,765 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,765 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,765 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:33,765 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,767 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,767 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,767 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 10:06:33,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 10:06:33,767 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 10:06:33,778 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,778 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,778 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:33,778 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,778 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,778 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,780 - INFO - number of orbitals:  45
-2024-12-04 10:06:33,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,780 - INFO - moving on ...
-2024-12-04 10:06:33,780 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:33,780 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,780 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,780 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,782 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,782 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,782 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 10:06:33,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 10:06:33,782 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 10:06:33,793 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,793 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,793 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:33,793 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,793 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,793 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,795 - INFO - number of orbitals:  42
-2024-12-04 10:06:33,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,795 - INFO - moving on ...
-2024-12-04 10:06:33,795 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:33,795 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:33,795 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:33,795 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,795 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:33,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,797 - INFO - number of orbitals:  58
-2024-12-04 10:06:33,797 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-04 10:06:33,797 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,797 - INFO - moving on ...
-2024-12-04 10:06:33,797 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:33,797 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:33,797 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:33,797 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,797 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:33,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,798 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,798 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,798 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 10:06:33,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 10:06:33,799 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 10:06:33,809 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,809 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,810 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:33,810 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:33,810 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:33,810 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,810 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:33,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,812 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,812 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,812 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:33,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:33,812 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:33,823 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,823 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,823 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:33,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:33,823 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,823 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:33,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,825 - INFO - number of orbitals:  85
-2024-12-04 10:06:33,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:33,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:33,825 - INFO - moving on ...
-2024-12-04 10:06:33,825 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:33,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,826 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,826 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,826 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-04 10:06:33,826 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-04 10:06:33,826 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,837 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,837 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,838 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-04 10:06:33,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-04 10:06:33,838 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:33,838 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:33,838 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:33,838 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:33,838 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,838 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:33,838 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,838 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,838 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,840 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,840 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,840 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:33,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:33,841 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:33,851 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,851 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,851 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:33,851 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,853 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,853 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,853 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:33,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:33,854 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:33,864 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,865 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,865 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:33,865 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,865 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,865 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,867 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,867 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,867 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 10:06:33,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 10:06:33,867 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,877 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,877 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,878 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:33,878 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,878 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,878 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,880 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,880 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,880 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-04 10:06:33,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-04 10:06:33,880 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,890 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,890 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,890 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:33,890 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,892 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,892 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,892 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:33,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:33,893 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:33,903 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,903 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,903 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:33,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,906 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,906 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,906 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:33,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:33,906 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:33,916 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,917 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,917 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:33,917 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,919 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,919 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,919 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 10:06:33,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 10:06:33,919 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 10:06:33,929 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,929 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,929 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:33,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,929 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,931 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,931 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,931 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-04 10:06:33,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-04 10:06:33,931 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-04 10:06:33,941 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,941 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,941 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:33,941 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,941 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,943 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,943 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,943 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:33,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:33,943 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:33,953 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,954 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,954 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:33,954 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,954 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,954 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,956 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,956 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,956 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 10:06:33,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 10:06:33,956 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 10:06:33,966 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,967 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,967 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:33,967 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,967 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,967 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,969 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,969 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,969 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 10:06:33,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 10:06:33,969 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 10:06:33,980 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,980 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,980 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:33,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:33,980 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:33,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:33,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,982 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,982 - INFO - number of supporting files: 1
-2024-12-04 10:06:33,982 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-04 10:06:33,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-04 10:06:33,982 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-04 10:06:33,993 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:33,993 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-04 10:06:33,993 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:33,993 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:33,993 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:33,993 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:33,994 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:33,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:33,995 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:33,995 - INFO - number of supporting files: 2
-2024-12-04 10:06:33,995 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:33,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:33,995 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:34,005 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,006 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,006 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:34,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:34,006 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,006 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:34,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,007 - INFO - number of orbitals:  85
-2024-12-04 10:06:34,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,007 - INFO - moving on ...
-2024-12-04 10:06:34,007 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:34,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,008 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,009 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,009 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-04 10:06:34,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-04 10:06:34,009 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-04 10:06:34,018 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,019 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,019 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-04 10:06:34,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-04 10:06:34,019 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,019 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:34,019 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:34,019 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:34,019 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,019 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:34,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,020 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,020 - INFO - moving on ...
-2024-12-04 10:06:34,020 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:34,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,022 - INFO - number of orbitals:  135
-2024-12-04 10:06:34,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,022 - INFO - moving on ...
-2024-12-04 10:06:34,022 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:34,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,023 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,023 - INFO - moving on ...
-2024-12-04 10:06:34,023 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:34,023 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:34,023 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:34,023 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,023 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:34,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,024 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,024 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,024 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 10:06:34,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 10:06:34,024 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 10:06:34,034 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,035 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,035 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 10:06:34,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 10:06:34,035 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,035 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:34,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,036 - INFO - number of orbitals:  79
-2024-12-04 10:06:34,036 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,036 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,036 - INFO - moving on ...
-2024-12-04 10:06:34,036 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:34,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,037 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,037 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,037 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-04 10:06:34,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-04 10:06:34,037 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-04 10:06:34,047 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,048 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,048 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-04 10:06:34,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-04 10:06:34,048 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,048 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:34,048 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:34,048 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:34,048 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,048 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:34,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,049 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,049 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,049 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-04 10:06:34,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-04 10:06:34,049 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-04 10:06:34,059 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,060 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,060 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-04 10:06:34,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-04 10:06:34,060 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,060 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:34,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,061 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,061 - INFO - moving on ...
-2024-12-04 10:06:34,061 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:34,061 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:34,061 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:34,061 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,062 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:34,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,063 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,063 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,063 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 10:06:34,063 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 10:06:34,063 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 10:06:34,073 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,073 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,073 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:34,073 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:34,073 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:34,074 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,074 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:34,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,075 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,075 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,075 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 10:06:34,075 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 10:06:34,075 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 10:06:34,085 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,085 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,085 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 10:06:34,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 10:06:34,086 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,086 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:34,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,087 - INFO - number of orbitals:  119
-2024-12-04 10:06:34,087 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,087 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,087 - INFO - moving on ...
-2024-12-04 10:06:34,087 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:34,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,088 - INFO - number of orbitals:  62
-2024-12-04 10:06:34,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,088 - INFO - moving on ...
-2024-12-04 10:06:34,088 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:34,088 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:34,088 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:34,088 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,088 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:34,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,090 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,090 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,090 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 10:06:34,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 10:06:34,090 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 10:06:34,100 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,100 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,100 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 10:06:34,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 10:06:34,101 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,101 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:34,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,102 - INFO - number of orbitals:  119
-2024-12-04 10:06:34,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,102 - INFO - moving on ...
-2024-12-04 10:06:34,102 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:34,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,103 - INFO - number of orbitals:  62
-2024-12-04 10:06:34,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,104 - INFO - moving on ...
-2024-12-04 10:06:34,104 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:34,104 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:34,104 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:34,104 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,104 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:34,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,105 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,105 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,105 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 10:06:34,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 10:06:34,105 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 10:06:34,116 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,116 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,116 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 10:06:34,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 10:06:34,116 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,116 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:34,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,118 - INFO - number of orbitals:  110
-2024-12-04 10:06:34,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,118 - INFO - moving on ...
-2024-12-04 10:06:34,118 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:34,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,119 - INFO - number of orbitals:  60
-2024-12-04 10:06:34,119 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,120 - INFO - moving on ...
-2024-12-04 10:06:34,120 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:34,120 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:34,120 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:34,120 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,120 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:34,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,122 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,122 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,122 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:34,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:34,122 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:34,133 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,133 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,133 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:34,133 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,133 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,133 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,135 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,135 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,135 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 10:06:34,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 10:06:34,135 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 10:06:34,146 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,146 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,146 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:34,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,146 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,146 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,148 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,148 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,148 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:34,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:34,148 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:34,159 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,159 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,159 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:34,159 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,162 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,162 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,162 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-04 10:06:34,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-04 10:06:34,162 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-04 10:06:34,172 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,173 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,173 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:34,173 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,173 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,173 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,175 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,175 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,175 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:34,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:34,175 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:34,186 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,186 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,186 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:34,186 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,186 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,186 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,188 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,188 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,188 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 10:06:34,188 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 10:06:34,189 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 10:06:34,199 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,200 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,200 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:34,200 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:34,200 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:34,200 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,200 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:34,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,201 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,202 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,202 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 10:06:34,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 10:06:34,202 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 10:06:34,211 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,212 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,212 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 10:06:34,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 10:06:34,212 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,212 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:34,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,213 - INFO - number of orbitals:  76
-2024-12-04 10:06:34,213 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,213 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,213 - INFO - moving on ...
-2024-12-04 10:06:34,213 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:34,213 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:34,213 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:34,213 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,214 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:34,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,215 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,215 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,215 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,215 - INFO - moving on ...
-2024-12-04 10:06:34,215 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:34,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,216 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,216 - INFO - moving on ...
-2024-12-04 10:06:34,216 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:34,216 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:34,216 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:34,216 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,216 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:34,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,217 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,217 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,217 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,217 - INFO - moving on ...
-2024-12-04 10:06:34,218 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:34,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,219 - INFO - number of orbitals:  135
-2024-12-04 10:06:34,219 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,219 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,219 - INFO - moving on ...
-2024-12-04 10:06:34,219 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:34,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,220 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,220 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,220 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,220 - INFO - moving on ...
-2024-12-04 10:06:34,220 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:34,220 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:34,220 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:34,220 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,220 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:34,220 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,220 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,221 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,222 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,222 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,222 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-04 10:06:34,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-04 10:06:34,222 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-04 10:06:34,232 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,233 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,233 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:34,233 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,233 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,233 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,235 - INFO - number of orbitals:  53
-2024-12-04 10:06:34,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,235 - INFO - moving on ...
-2024-12-04 10:06:34,235 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:34,235 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,235 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,235 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,237 - INFO - number of orbitals:  58
-2024-12-04 10:06:34,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,237 - INFO - moving on ...
-2024-12-04 10:06:34,237 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:34,237 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,237 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,237 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,239 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,239 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,239 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-04 10:06:34,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-04 10:06:34,239 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-04 10:06:34,250 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,250 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,250 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:34,250 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,250 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,250 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,252 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,252 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,252 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,252 - INFO - moving on ...
-2024-12-04 10:06:34,252 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:34,252 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,252 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,252 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,254 - INFO - number of orbitals:  55
-2024-12-04 10:06:34,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,254 - INFO - moving on ...
-2024-12-04 10:06:34,254 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:34,254 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,254 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,254 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,256 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,256 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,256 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-04 10:06:34,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-04 10:06:34,256 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-04 10:06:34,266 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,266 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,267 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:34,267 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,267 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,267 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,269 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,269 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,269 - INFO - moving on ...
-2024-12-04 10:06:34,269 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:34,269 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,269 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,269 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,270 - INFO - number of orbitals:  55
-2024-12-04 10:06:34,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,271 - INFO - moving on ...
-2024-12-04 10:06:34,271 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:34,271 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:34,271 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:34,271 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,271 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:34,271 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,271 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,273 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,273 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,273 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-04 10:06:34,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-04 10:06:34,273 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-04 10:06:34,283 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,283 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,283 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:34,284 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,284 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,284 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,285 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,286 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,286 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:34,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:34,286 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:34,296 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,297 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,297 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:34,297 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,297 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,297 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,299 - INFO - number of orbitals:  90
-2024-12-04 10:06:34,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,299 - INFO - moving on ...
-2024-12-04 10:06:34,299 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:34,299 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,299 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,299 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,301 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,301 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,301 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-04 10:06:34,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-04 10:06:34,301 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-04 10:06:34,312 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,312 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,312 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:34,312 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,312 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,312 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,314 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,314 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,314 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:34,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:34,314 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:34,324 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,325 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,325 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:34,325 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,325 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,325 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,327 - INFO - number of orbitals:  90
-2024-12-04 10:06:34,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,327 - INFO - moving on ...
-2024-12-04 10:06:34,327 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:34,327 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:34,327 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:34,327 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,327 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:34,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,328 - INFO - number of orbitals:  76
-2024-12-04 10:06:34,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,328 - INFO - moving on ...
-2024-12-04 10:06:34,329 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:34,329 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:34,329 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:34,329 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,329 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:34,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,330 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,330 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,330 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 10:06:34,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 10:06:34,330 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 10:06:34,341 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,341 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,341 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 10:06:34,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 10:06:34,341 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,341 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:34,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,342 - INFO - number of orbitals:  64
-2024-12-04 10:06:34,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,343 - INFO - moving on ...
-2024-12-04 10:06:34,343 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:34,343 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:34,343 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:34,343 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,343 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:34,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,344 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,344 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,344 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-04 10:06:34,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-04 10:06:34,344 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-04 10:06:34,354 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,355 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,355 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-04 10:06:34,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-04 10:06:34,355 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,355 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:34,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,356 - INFO - number of orbitals:  90
-2024-12-04 10:06:34,356 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,356 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,356 - INFO - moving on ...
-2024-12-04 10:06:34,356 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:34,356 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:34,356 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:34,356 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,356 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:34,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,357 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,357 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,358 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 10:06:34,358 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 10:06:34,358 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 10:06:34,367 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,368 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,368 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 10:06:34,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 10:06:34,368 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,368 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:34,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,369 - INFO - number of orbitals:  79
-2024-12-04 10:06:34,369 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,369 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,369 - INFO - moving on ...
-2024-12-04 10:06:34,369 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:34,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,370 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,370 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,370 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-04 10:06:34,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-04 10:06:34,371 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-04 10:06:34,380 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,381 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,381 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-04 10:06:34,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-04 10:06:34,381 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,381 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:34,381 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:34,381 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:34,381 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,381 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:34,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,382 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,382 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,382 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 10:06:34,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 10:06:34,382 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 10:06:34,393 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,394 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,394 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 10:06:34,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 10:06:34,394 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,394 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:34,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,395 - INFO - number of orbitals:  86
-2024-12-04 10:06:34,395 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,395 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,395 - INFO - moving on ...
-2024-12-04 10:06:34,395 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:34,395 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:34,395 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:34,396 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,396 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:34,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,397 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,397 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,397 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 10:06:34,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 10:06:34,397 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 10:06:34,408 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,408 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,408 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:34,408 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:34,408 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:34,408 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,408 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:34,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,410 - INFO - number of orbitals:  58
-2024-12-04 10:06:34,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,410 - INFO - moving on ...
-2024-12-04 10:06:34,410 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:34,410 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:34,410 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:34,410 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,410 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:34,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,411 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,411 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,411 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 10:06:34,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 10:06:34,411 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 10:06:34,422 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,422 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,422 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 10:06:34,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 10:06:34,422 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,423 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:34,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,424 - INFO - number of orbitals:  110
-2024-12-04 10:06:34,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,424 - INFO - moving on ...
-2024-12-04 10:06:34,424 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:34,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,425 - INFO - number of orbitals:  60
-2024-12-04 10:06:34,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,425 - INFO - moving on ...
-2024-12-04 10:06:34,425 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:34,426 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:34,426 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:34,426 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,426 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:34,426 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,426 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,426 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,428 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,428 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,428 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:34,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:34,428 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:34,438 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,438 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,438 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:34,438 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,439 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,439 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,440 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,440 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,440 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:34,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:34,441 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:34,450 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,450 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,450 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:34,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,452 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,452 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,452 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:34,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:34,453 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:34,463 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,463 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,463 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:34,463 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,463 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,463 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,465 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,465 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,465 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:34,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:34,465 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:34,475 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,476 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,476 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:34,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,476 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,476 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,478 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,478 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,478 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 10:06:34,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 10:06:34,478 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 10:06:34,488 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,488 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,488 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:34,488 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,488 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,488 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,490 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,490 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,490 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 10:06:34,490 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 10:06:34,490 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 10:06:34,501 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,501 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,501 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:34,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,503 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,503 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,503 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-04 10:06:34,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-04 10:06:34,503 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-04 10:06:34,513 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,514 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,514 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:34,514 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,514 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,514 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,516 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,516 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,516 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 10:06:34,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 10:06:34,516 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 10:06:34,527 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,527 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,527 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:34,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,529 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,529 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,529 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-04 10:06:34,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-04 10:06:34,529 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-04 10:06:34,540 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,540 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,540 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:34,540 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:34,540 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:34,540 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,540 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:34,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,542 - INFO - number of orbitals:  76
-2024-12-04 10:06:34,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,542 - INFO - moving on ...
-2024-12-04 10:06:34,542 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:34,542 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:34,542 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:34,542 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,542 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:34,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,543 - INFO - number of orbitals:  76
-2024-12-04 10:06:34,543 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,544 - INFO - moving on ...
-2024-12-04 10:06:34,544 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:34,544 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:34,544 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:34,544 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,544 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:34,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,545 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,545 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,545 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-04 10:06:34,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-04 10:06:34,545 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-04 10:06:34,555 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,556 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,556 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-04 10:06:34,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-04 10:06:34,556 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,556 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:34,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,557 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,557 - INFO - moving on ...
-2024-12-04 10:06:34,557 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:34,558 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:34,558 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:34,558 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,558 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:34,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,559 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,559 - INFO - moving on ...
-2024-12-04 10:06:34,559 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:34,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,560 - INFO - number of orbitals:  135
-2024-12-04 10:06:34,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,560 - INFO - moving on ...
-2024-12-04 10:06:34,560 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:34,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,561 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,561 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,562 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,562 - INFO - moving on ...
-2024-12-04 10:06:34,562 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:34,562 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:34,562 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:34,562 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,562 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:34,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,563 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,563 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,563 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 10:06:34,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 10:06:34,563 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 10:06:34,574 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,574 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,574 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 10:06:34,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 10:06:34,574 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,574 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:34,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,576 - INFO - number of orbitals:  114
-2024-12-04 10:06:34,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,576 - INFO - moving on ...
-2024-12-04 10:06:34,576 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:34,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,577 - INFO - number of orbitals:  64
-2024-12-04 10:06:34,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,577 - INFO - moving on ...
-2024-12-04 10:06:34,577 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:34,577 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:34,577 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:34,577 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,577 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:34,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,579 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,579 - INFO - moving on ...
-2024-12-04 10:06:34,579 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:34,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,580 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,580 - INFO - moving on ...
-2024-12-04 10:06:34,580 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:34,580 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:34,580 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:34,580 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,580 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:34,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,581 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,582 - INFO - moving on ...
-2024-12-04 10:06:34,582 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:34,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,583 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,583 - INFO - moving on ...
-2024-12-04 10:06:34,583 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:34,583 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:34,583 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:34,583 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,583 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:34,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,584 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,584 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,584 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:34,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:34,584 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:34,594 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,595 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,595 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:34,595 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:34,595 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:34,595 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,595 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:34,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,596 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,597 - INFO - moving on ...
-2024-12-04 10:06:34,597 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:34,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,598 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,598 - INFO - moving on ...
-2024-12-04 10:06:34,598 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:34,598 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:34,598 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:34,598 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,598 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:34,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,599 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,599 - INFO - moving on ...
-2024-12-04 10:06:34,599 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:34,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,601 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,601 - INFO - moving on ...
-2024-12-04 10:06:34,601 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:34,601 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:34,601 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:34,601 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,601 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:34,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,602 - INFO - number of orbitals:  76
-2024-12-04 10:06:34,602 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,602 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,602 - INFO - moving on ...
-2024-12-04 10:06:34,602 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:34,602 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:34,602 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:34,602 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,602 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:34,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,604 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,604 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,604 - INFO - moving on ...
-2024-12-04 10:06:34,604 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:34,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,605 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,605 - INFO - moving on ...
-2024-12-04 10:06:34,605 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:34,605 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:34,605 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:34,605 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,605 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:34,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,606 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,606 - INFO - moving on ...
-2024-12-04 10:06:34,607 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:34,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,608 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,608 - INFO - moving on ...
-2024-12-04 10:06:34,608 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:34,608 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:34,608 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:34,608 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,608 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:34,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,609 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,609 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,609 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 10:06:34,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 10:06:34,609 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 10:06:34,620 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,620 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,620 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 10:06:34,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 10:06:34,620 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,620 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:34,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,622 - INFO - number of orbitals:  110
-2024-12-04 10:06:34,622 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,622 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,622 - INFO - moving on ...
-2024-12-04 10:06:34,622 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:34,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,623 - INFO - number of orbitals:  60
-2024-12-04 10:06:34,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,623 - INFO - moving on ...
-2024-12-04 10:06:34,623 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:34,624 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:34,624 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:34,624 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,624 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:34,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,625 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,626 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,626 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 10:06:34,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 10:06:34,626 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 10:06:34,636 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,637 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,637 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:34,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,637 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,637 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,639 - INFO - number of orbitals:  46
-2024-12-04 10:06:34,639 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,639 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,639 - INFO - moving on ...
-2024-12-04 10:06:34,639 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:34,639 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,639 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,639 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,641 - INFO - number of orbitals:  46
-2024-12-04 10:06:34,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,641 - INFO - moving on ...
-2024-12-04 10:06:34,641 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:34,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,643 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,643 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,643 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 10:06:34,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 10:06:34,643 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 10:06:34,653 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,654 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,654 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:34,654 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:34,654 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:34,654 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,654 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:34,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,655 - INFO - number of orbitals:  66
-2024-12-04 10:06:34,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,655 - INFO - moving on ...
-2024-12-04 10:06:34,655 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:34,656 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:34,656 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:34,656 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,656 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:34,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,657 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,657 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,657 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 10:06:34,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 10:06:34,657 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 10:06:34,668 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,668 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,668 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 10:06:34,668 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 10:06:34,668 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,668 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:34,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,670 - INFO - number of orbitals:  110
-2024-12-04 10:06:34,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,670 - INFO - moving on ...
-2024-12-04 10:06:34,670 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:34,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,671 - INFO - number of orbitals:  60
-2024-12-04 10:06:34,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,671 - INFO - moving on ...
-2024-12-04 10:06:34,671 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:34,672 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:34,672 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:34,672 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,672 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:34,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,673 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,673 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,673 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-04 10:06:34,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-04 10:06:34,673 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-04 10:06:34,684 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,684 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,685 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-04 10:06:34,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-04 10:06:34,685 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,685 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:34,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,686 - INFO - number of orbitals:  118
-2024-12-04 10:06:34,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,687 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,687 - INFO - moving on ...
-2024-12-04 10:06:34,687 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:34,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,688 - INFO - number of orbitals:  68
-2024-12-04 10:06:34,688 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,688 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,688 - INFO - moving on ...
-2024-12-04 10:06:34,688 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:34,688 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:34,688 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:34,688 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,688 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:34,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,690 - INFO - number of orbitals:  48
-2024-12-04 10:06:34,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,690 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,690 - INFO - moving on ...
-2024-12-04 10:06:34,690 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:34,690 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:34,690 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:34,690 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,690 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:34,690 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,690 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,690 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,692 - INFO - number of orbitals:  69
-2024-12-04 10:06:34,692 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,692 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,692 - INFO - moving on ...
-2024-12-04 10:06:34,692 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:34,692 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,692 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,692 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,694 - INFO - number of orbitals:  70
-2024-12-04 10:06:34,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,694 - INFO - moving on ...
-2024-12-04 10:06:34,694 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:34,694 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,694 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,694 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,696 - INFO - number of orbitals:  69
-2024-12-04 10:06:34,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,696 - INFO - moving on ...
-2024-12-04 10:06:34,696 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:34,696 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:34,696 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:34,696 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,696 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:34,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,698 - INFO - number of orbitals:  76
-2024-12-04 10:06:34,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,698 - INFO - moving on ...
-2024-12-04 10:06:34,698 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:34,698 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:34,698 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:34,698 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,698 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:34,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,699 - INFO - number of orbitals:  76
-2024-12-04 10:06:34,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,699 - INFO - moving on ...
-2024-12-04 10:06:34,699 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:34,699 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:34,699 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:34,699 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,699 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:34,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,701 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,701 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,701 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:34,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:34,701 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:34,711 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,712 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,712 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:34,712 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:34,712 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:34,712 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,712 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:34,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,713 - INFO - number of orbitals:  47
-2024-12-04 10:06:34,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,713 - INFO - moving on ...
-2024-12-04 10:06:34,713 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:34,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,715 - INFO - number of orbitals:  106
-2024-12-04 10:06:34,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,715 - INFO - moving on ...
-2024-12-04 10:06:34,715 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:34,715 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:34,715 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:34,715 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,715 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:34,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,717 - INFO - number of orbitals:  55
-2024-12-04 10:06:34,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,717 - INFO - moving on ...
-2024-12-04 10:06:34,717 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:34,717 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,717 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,717 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,719 - INFO - number of orbitals:  70
-2024-12-04 10:06:34,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,719 - INFO - moving on ...
-2024-12-04 10:06:34,719 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:34,719 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,719 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,719 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,721 - INFO - number of orbitals:  55
-2024-12-04 10:06:34,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,721 - INFO - moving on ...
-2024-12-04 10:06:34,721 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:34,721 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,721 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,721 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,722 - INFO - number of orbitals:  69
-2024-12-04 10:06:34,722 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,722 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,722 - INFO - moving on ...
-2024-12-04 10:06:34,722 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:34,722 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,724 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,724 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,724 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 10:06:34,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 10:06:34,724 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 10:06:34,734 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,735 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,735 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:34,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,737 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,737 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,737 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-04 10:06:34,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-04 10:06:34,737 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-04 10:06:34,747 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,748 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,748 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:34,748 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,748 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,748 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,750 - INFO - number of orbitals:  55
-2024-12-04 10:06:34,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,750 - INFO - moving on ...
-2024-12-04 10:06:34,750 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:34,750 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,750 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,750 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,752 - INFO - number of orbitals:  69
-2024-12-04 10:06:34,752 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,752 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,752 - INFO - moving on ...
-2024-12-04 10:06:34,752 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:34,752 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,752 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,752 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,754 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,754 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,754 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 10:06:34,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 10:06:34,754 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 10:06:34,764 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,765 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,765 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:34,765 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,767 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,767 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,767 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-04 10:06:34,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-04 10:06:34,767 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-04 10:06:34,779 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,779 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,779 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:34,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,781 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,781 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,781 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 10:06:34,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 10:06:34,781 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 10:06:34,791 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,792 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,792 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:34,792 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,792 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,792 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,794 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,794 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,794 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-04 10:06:34,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-04 10:06:34,794 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-04 10:06:34,804 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,804 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,805 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:34,805 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,805 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,805 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,807 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,807 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,807 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 10:06:34,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 10:06:34,807 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 10:06:34,817 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,817 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,817 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:34,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,818 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,818 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,819 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,819 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,819 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-04 10:06:34,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-04 10:06:34,820 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-04 10:06:34,830 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,830 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,830 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:34,830 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,832 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,833 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,833 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 10:06:34,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 10:06:34,833 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 10:06:34,843 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,843 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,843 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:34,843 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,843 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,843 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,845 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,845 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,845 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-04 10:06:34,845 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-04 10:06:34,845 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-04 10:06:34,856 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,856 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,856 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:34,857 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:34,857 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:34,857 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,857 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:34,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,858 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,858 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,858 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 10:06:34,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 10:06:34,859 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 10:06:34,869 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,869 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,869 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 10:06:34,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 10:06:34,870 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,870 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:34,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,871 - INFO - number of orbitals:  89
-2024-12-04 10:06:34,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,871 - INFO - moving on ...
-2024-12-04 10:06:34,871 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:34,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,872 - INFO - number of orbitals:  48
-2024-12-04 10:06:34,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,872 - INFO - moving on ...
-2024-12-04 10:06:34,872 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:34,873 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:34,873 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:34,873 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,873 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:34,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,874 - INFO - number of orbitals:  52
-2024-12-04 10:06:34,874 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,874 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,874 - INFO - moving on ...
-2024-12-04 10:06:34,874 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:34,874 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:34,874 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:34,874 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,874 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:34,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,875 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,875 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,875 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:34,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:34,876 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:34,886 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,888 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,888 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:34,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:34,888 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,888 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:34,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,890 - INFO - number of orbitals:  55
-2024-12-04 10:06:34,890 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,890 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,890 - INFO - moving on ...
-2024-12-04 10:06:34,890 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:34,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,891 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,891 - INFO - number of supporting files: 2
-2024-12-04 10:06:34,891 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 10:06:34,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 10:06:34,891 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 10:06:34,901 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,902 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,902 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 10:06:34,902 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 10:06:34,902 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:34,902 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:34,902 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:34,902 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:34,902 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,902 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:34,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,904 - INFO - number of orbitals:  48
-2024-12-04 10:06:34,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,904 - INFO - moving on ...
-2024-12-04 10:06:34,904 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:34,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,905 - INFO - number of orbitals:  116
-2024-12-04 10:06:34,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,905 - INFO - moving on ...
-2024-12-04 10:06:34,905 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:34,905 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:34,905 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:34,905 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,905 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:34,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,907 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,907 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,907 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 10:06:34,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 10:06:34,907 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 10:06:34,917 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,918 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,918 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:34,918 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:34,918 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:34,918 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,918 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:34,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,919 - INFO - number of orbitals:  54
-2024-12-04 10:06:34,919 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,919 - INFO - moving on ...
-2024-12-04 10:06:34,919 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:34,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,920 - INFO - number of orbitals:  88
-2024-12-04 10:06:34,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,921 - INFO - moving on ...
-2024-12-04 10:06:34,921 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:34,921 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:34,921 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:34,921 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,921 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:34,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,922 - INFO - number of orbitals:  69
-2024-12-04 10:06:34,922 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,922 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,922 - INFO - moving on ...
-2024-12-04 10:06:34,922 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:34,922 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:34,922 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:34,922 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,923 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:34,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,924 - INFO - number of orbitals:  76
-2024-12-04 10:06:34,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,924 - INFO - moving on ...
-2024-12-04 10:06:34,924 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:34,924 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:34,924 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:34,924 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,924 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:34,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,925 - INFO - number of orbitals:  48
-2024-12-04 10:06:34,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,925 - INFO - moving on ...
-2024-12-04 10:06:34,925 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:34,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,926 - INFO - number of orbitals:  116
-2024-12-04 10:06:34,927 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:34,927 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:34,927 - INFO - moving on ...
-2024-12-04 10:06:34,927 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:34,927 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:34,927 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:34,927 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:34,927 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:34,927 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,927 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,927 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,929 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,929 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,929 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:34,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:34,929 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:34,940 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,940 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,940 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:34,940 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,940 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,940 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,943 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,943 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,943 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 10:06:34,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 10:06:34,943 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 10:06:34,954 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,954 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,954 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:34,954 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,955 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,955 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,957 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,957 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,957 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:34,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:34,957 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:34,968 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,968 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,968 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:34,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,970 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,970 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,971 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 10:06:34,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 10:06:34,971 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 10:06:34,982 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,982 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,982 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:34,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,984 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,984 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,984 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:34,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:34,984 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:34,995 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:34,995 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:34,995 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:34,995 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:34,995 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:34,995 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:34,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:34,997 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:34,997 - INFO - number of supporting files: 1
-2024-12-04 10:06:34,997 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 10:06:34,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 10:06:34,997 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 10:06:35,008 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,008 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,008 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:35,008 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,008 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,008 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,010 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,010 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,010 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:35,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:35,010 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:35,020 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,020 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,020 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:35,020 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,020 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,021 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,022 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,022 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,022 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 10:06:35,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 10:06:35,022 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 10:06:35,033 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,033 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,033 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:35,033 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:35,033 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:35,033 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,033 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:35,033 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,033 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,033 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,035 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,035 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,035 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:35,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:35,035 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:35,046 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,046 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,046 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:35,046 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,046 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,046 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,048 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,048 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,048 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 10:06:35,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 10:06:35,048 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 10:06:35,059 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,059 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,059 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:35,059 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,059 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,061 - INFO - number of orbitals:  68
-2024-12-04 10:06:35,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,061 - INFO - moving on ...
-2024-12-04 10:06:35,061 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:35,061 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,061 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,061 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,063 - INFO - number of orbitals:  76
-2024-12-04 10:06:35,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,063 - INFO - moving on ...
-2024-12-04 10:06:35,063 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:35,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,065 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,065 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,065 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:35,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:35,065 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:35,075 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,075 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,075 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:35,075 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,076 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,076 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,077 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,077 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,078 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 10:06:35,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 10:06:35,078 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 10:06:35,088 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,088 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,088 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:35,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,090 - INFO - number of orbitals:  68
-2024-12-04 10:06:35,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,091 - INFO - moving on ...
-2024-12-04 10:06:35,091 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:35,091 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,091 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,091 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,092 - INFO - number of orbitals:  76
-2024-12-04 10:06:35,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,092 - INFO - moving on ...
-2024-12-04 10:06:35,092 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:35,092 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,093 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,093 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,094 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,094 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,094 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:35,094 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:35,094 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:35,105 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,105 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,105 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:35,105 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,105 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,105 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,107 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,107 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,107 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 10:06:35,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 10:06:35,107 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 10:06:35,117 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,118 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,118 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:35,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,120 - INFO - number of orbitals:  68
-2024-12-04 10:06:35,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,120 - INFO - moving on ...
-2024-12-04 10:06:35,120 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:35,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,122 - INFO - number of orbitals:  76
-2024-12-04 10:06:35,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,122 - INFO - moving on ...
-2024-12-04 10:06:35,122 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:35,122 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:35,122 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:35,122 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,122 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:35,122 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,122 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,122 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,124 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,124 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,124 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 10:06:35,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 10:06:35,124 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 10:06:35,134 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,135 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,135 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:35,135 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,135 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,135 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,136 - INFO - number of orbitals:  108
-2024-12-04 10:06:35,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,137 - INFO - moving on ...
-2024-12-04 10:06:35,137 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:35,137 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:35,137 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:35,137 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,137 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:35,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,138 - INFO - number of orbitals:  54
-2024-12-04 10:06:35,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,138 - INFO - moving on ...
-2024-12-04 10:06:35,138 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:35,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,139 - INFO - number of orbitals:  88
-2024-12-04 10:06:35,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,139 - INFO - moving on ...
-2024-12-04 10:06:35,139 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:35,140 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:35,140 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:35,140 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,140 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:35,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,141 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,141 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,141 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:35,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:35,141 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:35,151 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,152 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,152 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:35,152 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:35,152 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:35,152 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,152 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:35,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,153 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,153 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,153 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 10:06:35,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 10:06:35,154 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 10:06:35,164 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,164 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,164 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 10:06:35,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 10:06:35,164 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,164 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:35,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,166 - INFO - number of orbitals:  115
-2024-12-04 10:06:35,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,166 - INFO - moving on ...
-2024-12-04 10:06:35,166 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:35,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,167 - INFO - number of orbitals:  58
-2024-12-04 10:06:35,167 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,167 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,167 - INFO - moving on ...
-2024-12-04 10:06:35,167 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:35,167 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:35,167 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:35,167 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,167 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:35,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,169 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,169 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,169 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 10:06:35,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 10:06:35,169 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 10:06:35,178 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,179 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,179 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 10:06:35,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 10:06:35,179 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,179 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:35,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,180 - INFO - number of orbitals:  72
-2024-12-04 10:06:35,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,180 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,180 - INFO - moving on ...
-2024-12-04 10:06:35,180 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:35,180 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:35,180 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:35,180 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,180 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:35,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,181 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,181 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,181 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 10:06:35,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 10:06:35,182 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 10:06:35,191 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,192 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,192 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:35,192 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:35,192 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:35,192 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,192 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:35,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,193 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,193 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,193 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-04 10:06:35,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-04 10:06:35,193 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-04 10:06:35,204 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,204 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,204 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-04 10:06:35,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-04 10:06:35,204 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,204 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:35,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,206 - INFO - number of orbitals:  118
-2024-12-04 10:06:35,206 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,206 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,206 - INFO - moving on ...
-2024-12-04 10:06:35,206 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:35,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,207 - INFO - number of orbitals:  68
-2024-12-04 10:06:35,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,207 - INFO - moving on ...
-2024-12-04 10:06:35,207 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:35,207 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:35,207 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:35,207 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,207 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:35,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,208 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,209 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,209 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 10:06:35,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 10:06:35,209 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 10:06:35,219 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,220 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,220 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 10:06:35,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 10:06:35,220 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,220 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:35,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,221 - INFO - number of orbitals:  118
-2024-12-04 10:06:35,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,221 - INFO - moving on ...
-2024-12-04 10:06:35,221 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:35,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,223 - INFO - number of orbitals:  68
-2024-12-04 10:06:35,223 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,223 - INFO - moving on ...
-2024-12-04 10:06:35,223 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:35,223 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:35,223 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:35,223 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,223 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:35,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,224 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,224 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,224 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-04 10:06:35,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-04 10:06:35,224 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-04 10:06:35,237 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,237 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,237 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-04 10:06:35,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-04 10:06:35,237 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,237 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:35,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,240 - INFO - number of orbitals:  88
-2024-12-04 10:06:35,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,240 - INFO - moving on ...
-2024-12-04 10:06:35,240 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:35,240 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:35,240 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:35,240 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,240 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:35,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,242 - INFO - number of orbitals:  69
-2024-12-04 10:06:35,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,242 - INFO - moving on ...
-2024-12-04 10:06:35,242 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:35,242 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:35,242 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:35,242 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,242 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:35,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,243 - INFO - number of orbitals:  70
-2024-12-04 10:06:35,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,243 - INFO - moving on ...
-2024-12-04 10:06:35,243 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:35,244 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:35,244 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:35,244 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,244 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:35,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,245 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,245 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,245 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-04 10:06:35,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-04 10:06:35,245 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-04 10:06:35,255 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,255 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,255 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-04 10:06:35,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-04 10:06:35,255 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,255 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:35,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,257 - INFO - number of orbitals:  78
-2024-12-04 10:06:35,257 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,257 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,257 - INFO - moving on ...
-2024-12-04 10:06:35,257 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:35,257 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:35,257 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:35,257 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,257 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:35,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,258 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,258 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,258 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:35,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:35,258 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:35,268 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,268 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,268 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:35,268 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:35,268 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:35,268 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,269 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:35,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,270 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,270 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,270 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 10:06:35,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 10:06:35,270 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 10:06:35,280 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,280 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,280 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 10:06:35,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 10:06:35,280 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,280 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:35,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,282 - INFO - number of orbitals:  115
-2024-12-04 10:06:35,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,282 - INFO - moving on ...
-2024-12-04 10:06:35,282 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:35,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,283 - INFO - number of orbitals:  58
-2024-12-04 10:06:35,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,283 - INFO - moving on ...
-2024-12-04 10:06:35,283 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:35,283 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:35,283 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:35,283 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,283 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:35,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,285 - INFO - number of orbitals:  54
-2024-12-04 10:06:35,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,285 - INFO - moving on ...
-2024-12-04 10:06:35,285 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:35,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,286 - INFO - number of orbitals:  88
-2024-12-04 10:06:35,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,286 - INFO - moving on ...
-2024-12-04 10:06:35,286 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:35,286 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:35,286 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:35,286 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,286 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:35,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,288 - INFO - number of orbitals:  46
-2024-12-04 10:06:35,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,288 - INFO - moving on ...
-2024-12-04 10:06:35,288 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:35,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,289 - INFO - number of orbitals:  94
-2024-12-04 10:06:35,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,289 - INFO - moving on ...
-2024-12-04 10:06:35,289 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:35,289 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:35,289 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:35,289 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,289 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:35,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,290 - INFO - number of orbitals:  54
-2024-12-04 10:06:35,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,290 - INFO - moving on ...
-2024-12-04 10:06:35,290 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:35,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,291 - INFO - number of orbitals:  88
-2024-12-04 10:06:35,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,291 - INFO - moving on ...
-2024-12-04 10:06:35,291 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:35,292 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:35,292 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:35,292 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,292 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:35,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,293 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,293 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,293 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 10:06:35,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 10:06:35,293 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 10:06:35,303 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,303 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,303 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 10:06:35,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 10:06:35,303 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,303 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:35,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,304 - INFO - number of orbitals:  110
-2024-12-04 10:06:35,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,304 - INFO - moving on ...
-2024-12-04 10:06:35,304 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:35,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,306 - INFO - number of orbitals:  60
-2024-12-04 10:06:35,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,306 - INFO - moving on ...
-2024-12-04 10:06:35,306 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:35,306 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:35,306 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:35,306 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,306 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:35,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,307 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,307 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,307 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 10:06:35,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 10:06:35,307 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 10:06:35,317 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,317 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,318 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 10:06:35,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 10:06:35,318 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,318 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:35,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,319 - INFO - number of orbitals:  118
-2024-12-04 10:06:35,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,319 - INFO - moving on ...
-2024-12-04 10:06:35,319 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:35,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,320 - INFO - number of orbitals:  68
-2024-12-04 10:06:35,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,320 - INFO - moving on ...
-2024-12-04 10:06:35,320 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:35,320 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:35,321 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:35,321 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,321 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:35,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,322 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,322 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,322 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-04 10:06:35,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-04 10:06:35,322 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-04 10:06:35,332 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,332 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,332 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-04 10:06:35,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-04 10:06:35,332 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,332 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:35,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,334 - INFO - number of orbitals:  90
-2024-12-04 10:06:35,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,334 - INFO - moving on ...
-2024-12-04 10:06:35,334 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:35,334 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:35,334 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:35,334 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,334 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:35,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,335 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,335 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,335 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 10:06:35,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 10:06:35,336 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 10:06:35,345 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,346 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,346 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 10:06:35,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 10:06:35,346 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,346 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:35,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,347 - INFO - number of orbitals:  74
-2024-12-04 10:06:35,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-04 10:06:35,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,347 - INFO - moving on ...
-2024-12-04 10:06:35,347 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:35,347 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:35,347 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:35,348 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,348 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:35,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,349 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,349 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,349 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 10:06:35,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 10:06:35,349 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 10:06:35,359 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,359 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,359 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 10:06:35,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 10:06:35,359 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,359 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:35,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,360 - INFO - number of orbitals:  115
-2024-12-04 10:06:35,361 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,361 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,361 - INFO - moving on ...
-2024-12-04 10:06:35,361 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:35,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,362 - INFO - number of orbitals:  58
-2024-12-04 10:06:35,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,362 - INFO - moving on ...
-2024-12-04 10:06:35,362 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:35,362 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:35,362 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:35,362 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,362 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:35,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,363 - INFO - number of orbitals:  54
-2024-12-04 10:06:35,363 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,363 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,363 - INFO - moving on ...
-2024-12-04 10:06:35,363 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:35,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,364 - INFO - number of orbitals:  88
-2024-12-04 10:06:35,365 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,365 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,365 - INFO - moving on ...
-2024-12-04 10:06:35,365 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:35,365 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:35,365 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:35,365 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,365 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:35,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,366 - INFO - number of orbitals:  76
-2024-12-04 10:06:35,366 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,366 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,366 - INFO - moving on ...
-2024-12-04 10:06:35,366 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:35,366 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:35,366 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:35,366 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,366 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:35,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,367 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,367 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,367 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-04 10:06:35,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-04 10:06:35,367 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-04 10:06:35,377 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,377 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,377 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-04 10:06:35,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-04 10:06:35,378 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,378 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:35,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,379 - INFO - number of orbitals:  116
-2024-12-04 10:06:35,379 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,379 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,379 - INFO - moving on ...
-2024-12-04 10:06:35,379 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:35,379 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:35,379 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:35,379 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,379 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:35,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,380 - INFO - number of orbitals:  54
-2024-12-04 10:06:35,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,380 - INFO - moving on ...
-2024-12-04 10:06:35,380 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:35,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,381 - INFO - number of orbitals:  88
-2024-12-04 10:06:35,382 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,382 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,382 - INFO - moving on ...
-2024-12-04 10:06:35,382 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:35,382 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:35,382 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:35,382 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,382 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:35,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,383 - INFO - number of orbitals:  54
-2024-12-04 10:06:35,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,383 - INFO - moving on ...
-2024-12-04 10:06:35,383 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:35,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,384 - INFO - number of orbitals:  88
-2024-12-04 10:06:35,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,384 - INFO - moving on ...
-2024-12-04 10:06:35,384 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:35,384 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:35,384 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:35,384 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,384 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:35,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,385 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,385 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,385 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:35,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:35,385 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:35,396 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,396 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,396 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:35,396 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:35,396 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:35,396 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,396 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:35,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,398 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,398 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,398 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 10:06:35,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 10:06:35,398 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 10:06:35,408 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,408 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,408 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:35,408 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:35,408 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:35,408 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,408 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:35,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,410 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,410 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,410 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-04 10:06:35,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-04 10:06:35,410 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-04 10:06:35,420 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,421 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,421 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-04 10:06:35,421 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-04 10:06:35,421 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,421 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:35,421 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:35,421 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:35,421 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,421 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:35,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,423 - INFO - number of orbitals:  69
-2024-12-04 10:06:35,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,423 - INFO - moving on ...
-2024-12-04 10:06:35,423 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:35,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,424 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,425 - INFO - number of orbitals:  70
-2024-12-04 10:06:35,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,425 - INFO - moving on ...
-2024-12-04 10:06:35,425 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:35,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,426 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,426 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,427 - INFO - number of orbitals:  69
-2024-12-04 10:06:35,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,427 - INFO - moving on ...
-2024-12-04 10:06:35,427 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:35,427 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:35,427 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:35,427 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,427 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:35,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,429 - INFO - number of orbitals:  76
-2024-12-04 10:06:35,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,429 - INFO - moving on ...
-2024-12-04 10:06:35,429 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:35,429 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:35,429 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:35,429 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,429 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:35,429 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,429 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,429 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,431 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,431 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,431 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:35,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:35,431 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:35,441 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,442 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,442 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:35,442 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,442 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,442 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,444 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,444 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,444 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:35,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:35,444 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:35,454 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,454 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,454 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:35,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,455 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,455 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,456 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,456 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,456 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:35,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:35,457 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:35,467 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,467 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,467 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:35,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,469 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,469 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,469 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:35,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:35,469 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:35,480 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,480 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,480 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:35,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,482 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,482 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,482 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 10:06:35,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 10:06:35,482 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 10:06:35,492 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,493 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,493 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:35,493 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,493 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,493 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,495 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,495 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,495 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 10:06:35,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 10:06:35,495 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 10:06:35,505 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,506 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,506 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:35,506 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,506 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,506 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,508 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,508 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,508 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-04 10:06:35,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-04 10:06:35,508 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-04 10:06:35,518 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,519 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,519 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:35,519 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,519 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,519 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,520 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,521 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,521 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 10:06:35,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 10:06:35,521 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 10:06:35,531 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,531 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,531 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:35,531 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,531 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,531 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,533 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,533 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,533 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-04 10:06:35,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-04 10:06:35,533 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-04 10:06:35,545 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,545 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,546 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:35,546 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:35,546 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:35,546 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,546 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:35,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,547 - INFO - number of orbitals:  54
-2024-12-04 10:06:35,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,548 - INFO - moving on ...
-2024-12-04 10:06:35,548 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:35,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,549 - INFO - number of orbitals:  88
-2024-12-04 10:06:35,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,549 - INFO - moving on ...
-2024-12-04 10:06:35,549 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:35,549 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:35,549 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:35,549 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,549 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:35,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,550 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,550 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,550 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 10:06:35,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 10:06:35,551 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 10:06:35,560 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,561 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,561 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 10:06:35,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 10:06:35,561 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,561 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:35,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,562 - INFO - number of orbitals:  110
-2024-12-04 10:06:35,562 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,562 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,562 - INFO - moving on ...
-2024-12-04 10:06:35,562 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:35,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,563 - INFO - number of orbitals:  60
-2024-12-04 10:06:35,563 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,563 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,563 - INFO - moving on ...
-2024-12-04 10:06:35,563 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:35,564 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:35,564 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:35,564 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,564 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:35,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,565 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,565 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,565 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-04 10:06:35,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-04 10:06:35,565 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-04 10:06:35,575 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,575 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,575 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-04 10:06:35,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-04 10:06:35,575 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,575 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:35,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,576 - INFO - number of orbitals:  116
-2024-12-04 10:06:35,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,576 - INFO - moving on ...
-2024-12-04 10:06:35,576 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:35,577 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:35,577 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:35,577 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,577 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:35,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,578 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,578 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,578 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-04 10:06:35,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-04 10:06:35,578 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-04 10:06:35,588 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,588 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,588 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-04 10:06:35,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-04 10:06:35,588 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,588 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:35,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,590 - INFO - number of orbitals:  88
-2024-12-04 10:06:35,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,590 - INFO - moving on ...
-2024-12-04 10:06:35,590 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:35,590 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:35,590 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:35,590 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,590 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:35,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,591 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,591 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,591 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 10:06:35,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 10:06:35,591 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 10:06:35,600 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,600 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,601 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 10:06:35,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 10:06:35,601 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,601 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:35,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,602 - INFO - number of orbitals:  110
-2024-12-04 10:06:35,602 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,602 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,602 - INFO - moving on ...
-2024-12-04 10:06:35,602 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:35,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,603 - INFO - number of orbitals:  60
-2024-12-04 10:06:35,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,603 - INFO - moving on ...
-2024-12-04 10:06:35,603 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:35,603 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:35,603 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:35,603 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,603 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:35,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,604 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,605 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,605 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 10:06:35,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 10:06:35,605 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 10:06:35,615 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,615 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,615 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 10:06:35,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 10:06:35,615 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,615 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:35,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,616 - INFO - number of orbitals:  114
-2024-12-04 10:06:35,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,617 - INFO - moving on ...
-2024-12-04 10:06:35,617 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:35,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,618 - INFO - number of orbitals:  64
-2024-12-04 10:06:35,618 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,618 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,618 - INFO - moving on ...
-2024-12-04 10:06:35,618 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:35,618 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:35,618 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:35,618 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,618 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:35,618 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,618 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,618 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,620 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,620 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,620 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:35,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:35,620 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:35,630 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,631 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,631 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:35,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,631 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,631 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,633 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,633 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,633 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:35,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:35,633 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:35,643 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,644 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,644 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:35,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,644 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,646 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,646 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,646 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 10:06:35,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 10:06:35,646 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 10:06:35,656 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,656 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,656 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:35,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,658 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,658 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,658 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-04 10:06:35,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-04 10:06:35,658 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-04 10:06:35,668 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,669 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,669 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:35,669 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,669 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,669 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,671 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,671 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,671 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:35,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:35,671 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:35,681 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,681 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,681 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:35,681 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,681 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,681 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,683 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,683 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,683 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:35,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:35,683 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:35,694 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,694 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,694 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:35,695 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,695 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,695 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,697 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,697 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,697 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 10:06:35,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 10:06:35,697 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 10:06:35,707 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,708 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,708 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:35,708 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,710 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,710 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,710 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-04 10:06:35,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-04 10:06:35,710 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-04 10:06:35,720 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,721 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,721 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:35,721 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,721 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,721 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,723 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,723 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,723 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:35,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:35,723 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:35,734 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,734 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,734 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:35,734 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,734 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,734 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,736 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,736 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,736 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 10:06:35,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 10:06:35,736 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 10:06:35,747 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,747 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,747 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:35,747 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,747 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,747 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,749 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,749 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,749 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 10:06:35,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 10:06:35,749 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 10:06:35,760 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,760 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,761 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:35,761 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,761 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,761 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,763 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,763 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,763 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-04 10:06:35,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-04 10:06:35,763 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-04 10:06:35,774 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,774 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,774 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:35,774 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:35,774 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:35,774 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,774 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:35,775 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,776 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,777 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,777 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 10:06:35,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 10:06:35,777 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 10:06:35,787 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,788 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,788 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:35,788 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,788 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,788 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,790 - INFO - number of orbitals:  108
-2024-12-04 10:06:35,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,790 - INFO - moving on ...
-2024-12-04 10:06:35,790 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:35,790 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:35,791 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:35,791 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,791 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:35,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,792 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,792 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,792 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 10:06:35,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 10:06:35,792 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 10:06:35,804 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,805 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,805 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:35,805 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:35,805 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:35,805 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,805 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:35,805 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,805 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,806 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,808 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,808 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,808 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:35,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:35,808 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:35,820 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,821 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,821 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:35,821 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,823 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,823 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,823 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 10:06:35,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 10:06:35,824 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 10:06:35,834 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,834 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,834 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:35,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,835 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,835 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,836 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,837 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,837 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:35,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:35,837 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:35,847 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,848 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,848 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:35,848 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,848 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,848 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,850 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,850 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,850 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 10:06:35,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 10:06:35,850 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 10:06:35,860 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,861 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,861 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:35,861 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,861 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,861 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,863 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,863 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,863 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:35,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:35,863 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:35,873 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,874 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,874 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:35,874 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,874 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,874 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,876 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,876 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,876 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 10:06:35,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 10:06:35,876 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 10:06:35,886 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,886 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,886 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:35,887 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,887 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,887 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,888 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,888 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,889 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:35,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:35,889 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:35,899 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,899 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,899 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:35,899 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,899 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,900 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,901 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,901 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,901 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 10:06:35,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 10:06:35,902 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 10:06:35,911 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,912 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,912 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:35,912 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:35,912 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:35,912 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,912 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:35,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,914 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,914 - INFO - number of supporting files: 2
-2024-12-04 10:06:35,914 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 10:06:35,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 10:06:35,914 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 10:06:35,923 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,924 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,924 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 10:06:35,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 10:06:35,924 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:35,924 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:35,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,925 - INFO - number of orbitals:  64
-2024-12-04 10:06:35,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,925 - INFO - moving on ...
-2024-12-04 10:06:35,925 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:35,926 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:35,926 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:35,926 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:35,926 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:35,926 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,926 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,926 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,927 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,928 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,928 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:35,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:35,928 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:35,938 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,938 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,938 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:35,938 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,938 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,938 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,940 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,940 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,940 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 10:06:35,940 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 10:06:35,940 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 10:06:35,950 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,950 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,950 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:35,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,952 - INFO - number of orbitals:  68
-2024-12-04 10:06:35,952 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,952 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,952 - INFO - moving on ...
-2024-12-04 10:06:35,953 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:35,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,954 - INFO - number of orbitals:  76
-2024-12-04 10:06:35,954 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,954 - INFO - moving on ...
-2024-12-04 10:06:35,954 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:35,954 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,954 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,955 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,956 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,956 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,956 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:35,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:35,956 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:35,966 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,967 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,967 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:35,967 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,967 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,967 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,969 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,969 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,969 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 10:06:35,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 10:06:35,969 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 10:06:35,980 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,980 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,980 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:35,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,980 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,982 - INFO - number of orbitals:  68
-2024-12-04 10:06:35,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,982 - INFO - moving on ...
-2024-12-04 10:06:35,982 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:35,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,983 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,984 - INFO - number of orbitals:  76
-2024-12-04 10:06:35,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:35,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:35,984 - INFO - moving on ...
-2024-12-04 10:06:35,984 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:35,984 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,986 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,986 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,986 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:35,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:35,986 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:35,997 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:35,997 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:35,997 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:35,997 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:35,997 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:35,997 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:35,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:35,999 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:35,999 - INFO - number of supporting files: 1
-2024-12-04 10:06:35,999 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 10:06:35,999 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 10:06:35,999 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 10:06:36,009 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,010 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,010 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:36,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,012 - INFO - number of orbitals:  68
-2024-12-04 10:06:36,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,012 - INFO - moving on ...
-2024-12-04 10:06:36,012 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:36,012 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,012 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,012 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,014 - INFO - number of orbitals:  76
-2024-12-04 10:06:36,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,014 - INFO - moving on ...
-2024-12-04 10:06:36,014 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:36,014 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:36,014 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:36,014 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,014 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:36,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,015 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,015 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,015 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-04 10:06:36,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-04 10:06:36,015 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-04 10:06:36,026 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,026 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,026 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-04 10:06:36,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-04 10:06:36,026 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,026 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:36,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,027 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,028 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,028 - INFO - moving on ...
-2024-12-04 10:06:36,028 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:36,028 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:36,028 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:36,028 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,028 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:36,028 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,028 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,028 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,030 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,030 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,030 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:36,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:36,030 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:36,040 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,040 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,040 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:36,040 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,040 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,040 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,042 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,042 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,042 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 10:06:36,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 10:06:36,042 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 10:06:36,052 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,052 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,052 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:36,053 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,053 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,053 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,054 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,054 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,054 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:36,055 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:36,055 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:36,064 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,064 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,065 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:36,065 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,065 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,065 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,066 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,066 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,066 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-04 10:06:36,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-04 10:06:36,067 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-04 10:06:36,078 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,078 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,078 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:36,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,078 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,080 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,080 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,080 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:36,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:36,080 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:36,092 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,092 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,092 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:36,092 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,092 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,092 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,094 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,094 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,094 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 10:06:36,094 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 10:06:36,094 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 10:06:36,105 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,105 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,105 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:36,106 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:36,106 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:36,106 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,106 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:36,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,107 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,107 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,107 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-04 10:06:36,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-04 10:06:36,107 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-04 10:06:36,118 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,118 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,118 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-04 10:06:36,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-04 10:06:36,118 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,118 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:36,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,120 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,120 - INFO - moving on ...
-2024-12-04 10:06:36,120 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:36,120 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:36,120 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:36,120 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,120 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:36,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,121 - INFO - number of orbitals:  58
-2024-12-04 10:06:36,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,122 - INFO - moving on ...
-2024-12-04 10:06:36,122 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:36,122 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:36,122 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:36,122 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,122 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:36,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,123 - INFO - number of orbitals:  76
-2024-12-04 10:06:36,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,123 - INFO - moving on ...
-2024-12-04 10:06:36,123 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:36,123 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:36,123 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:36,123 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,123 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:36,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,124 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,125 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,125 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:36,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:36,125 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:36,135 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,135 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,135 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:36,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:36,135 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,135 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:36,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,137 - INFO - number of orbitals:  85
-2024-12-04 10:06:36,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,137 - INFO - moving on ...
-2024-12-04 10:06:36,137 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:36,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,138 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,138 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,138 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-04 10:06:36,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-04 10:06:36,138 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-04 10:06:36,148 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,149 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,149 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-04 10:06:36,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-04 10:06:36,149 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,149 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:36,149 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:36,149 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:36,149 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,149 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:36,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,151 - INFO - number of orbitals:  69
-2024-12-04 10:06:36,151 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,151 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,151 - INFO - moving on ...
-2024-12-04 10:06:36,151 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:36,151 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:36,151 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:36,151 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,151 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:36,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,152 - INFO - number of orbitals:  69
-2024-12-04 10:06:36,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,152 - INFO - moving on ...
-2024-12-04 10:06:36,152 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:36,152 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:36,152 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:36,152 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,152 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:36,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,154 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,154 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,154 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 10:06:36,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 10:06:36,154 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 10:06:36,165 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,165 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,166 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 10:06:36,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 10:06:36,166 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,166 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:36,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,167 - INFO - number of orbitals:  119
-2024-12-04 10:06:36,167 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,167 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,167 - INFO - moving on ...
-2024-12-04 10:06:36,167 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:36,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,168 - INFO - number of orbitals:  62
-2024-12-04 10:06:36,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,169 - INFO - moving on ...
-2024-12-04 10:06:36,169 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:36,169 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:36,169 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:36,169 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,169 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:36,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,170 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,170 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,170 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,170 - INFO - moving on ...
-2024-12-04 10:06:36,170 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:36,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,171 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,171 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,171 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,172 - INFO - moving on ...
-2024-12-04 10:06:36,172 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:36,172 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:36,172 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:36,172 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,172 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:36,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,173 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,173 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,173 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-04 10:06:36,173 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-04 10:06:36,173 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-04 10:06:36,183 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,183 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,183 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-04 10:06:36,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-04 10:06:36,183 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,183 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:36,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,184 - INFO - number of orbitals:  78
-2024-12-04 10:06:36,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,184 - INFO - moving on ...
-2024-12-04 10:06:36,184 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:36,185 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:36,185 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:36,185 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,185 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:36,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,186 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,186 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,186 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-04 10:06:36,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-04 10:06:36,186 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-04 10:06:36,196 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,196 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,196 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-04 10:06:36,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-04 10:06:36,196 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,196 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:36,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,198 - INFO - number of orbitals:  90
-2024-12-04 10:06:36,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,198 - INFO - moving on ...
-2024-12-04 10:06:36,198 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:36,198 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:36,198 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:36,198 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,198 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:36,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,199 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,199 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,199 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:36,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:36,199 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:36,210 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,210 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,210 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:36,210 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:36,210 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,210 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:36,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,211 - INFO - number of orbitals:  85
-2024-12-04 10:06:36,211 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,212 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,212 - INFO - moving on ...
-2024-12-04 10:06:36,212 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:36,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,213 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,213 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,213 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-04 10:06:36,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-04 10:06:36,213 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-04 10:06:36,223 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,224 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,224 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-04 10:06:36,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-04 10:06:36,224 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,224 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:36,224 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:36,224 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:36,224 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,224 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:36,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,226 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,226 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,226 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 10:06:36,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 10:06:36,226 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 10:06:36,236 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,236 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,236 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 10:06:36,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 10:06:36,236 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,236 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:36,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,238 - INFO - number of orbitals:  89
-2024-12-04 10:06:36,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,238 - INFO - moving on ...
-2024-12-04 10:06:36,238 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:36,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,239 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,239 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,239 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-04 10:06:36,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-04 10:06:36,239 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-04 10:06:36,249 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,250 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,250 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-04 10:06:36,250 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-04 10:06:36,250 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,250 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:36,250 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:36,250 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:36,250 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,250 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:36,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,251 - INFO - number of orbitals:  76
-2024-12-04 10:06:36,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,251 - INFO - moving on ...
-2024-12-04 10:06:36,251 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:36,251 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:36,252 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:36,252 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,252 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:36,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,253 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,253 - INFO - moving on ...
-2024-12-04 10:06:36,253 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:36,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,254 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,254 - INFO - moving on ...
-2024-12-04 10:06:36,254 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:36,254 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:36,254 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:36,254 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,254 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:36,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,255 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,255 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,255 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,255 - INFO - moving on ...
-2024-12-04 10:06:36,255 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:36,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,256 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,256 - INFO - moving on ...
-2024-12-04 10:06:36,257 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:36,257 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:36,257 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:36,257 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,257 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:36,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,258 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,258 - INFO - moving on ...
-2024-12-04 10:06:36,258 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:36,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,259 - INFO - number of orbitals:  135
-2024-12-04 10:06:36,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,259 - INFO - moving on ...
-2024-12-04 10:06:36,259 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:36,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,260 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,260 - INFO - moving on ...
-2024-12-04 10:06:36,260 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:36,260 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:36,260 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:36,260 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,260 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:36,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,261 - INFO - number of orbitals:  52
-2024-12-04 10:06:36,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,262 - INFO - moving on ...
-2024-12-04 10:06:36,262 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:36,262 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:36,262 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:36,262 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,262 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:36,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,263 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,263 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,263 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 10:06:36,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 10:06:36,263 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 10:06:36,273 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,273 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,273 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:36,273 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:36,273 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:36,274 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,274 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:36,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,275 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,275 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,275 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 10:06:36,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 10:06:36,275 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 10:06:36,285 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,285 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,285 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 10:06:36,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 10:06:36,285 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,285 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:36,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,286 - INFO - number of orbitals:  118
-2024-12-04 10:06:36,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,287 - INFO - moving on ...
-2024-12-04 10:06:36,287 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:36,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,288 - INFO - number of orbitals:  68
-2024-12-04 10:06:36,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,288 - INFO - moving on ...
-2024-12-04 10:06:36,288 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:36,288 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:36,288 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:36,288 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,288 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:36,288 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,288 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,288 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,290 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,290 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,290 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 10:06:36,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 10:06:36,290 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 10:06:36,300 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,301 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,301 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:36,301 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,301 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,301 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,303 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,303 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,303 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-04 10:06:36,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-04 10:06:36,303 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-04 10:06:36,313 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,313 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,313 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:36,313 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,313 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,313 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,315 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,315 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,315 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-04 10:06:36,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-04 10:06:36,315 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-04 10:06:36,325 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,325 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,326 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:36,326 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,326 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,326 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,327 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,328 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,328 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 10:06:36,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 10:06:36,328 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 10:06:36,338 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,339 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,339 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:36,339 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:36,339 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:36,339 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,339 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:36,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,340 - INFO - number of orbitals:  76
-2024-12-04 10:06:36,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,340 - INFO - moving on ...
-2024-12-04 10:06:36,340 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:36,341 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:36,341 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:36,341 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,341 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:36,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,342 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,342 - INFO - moving on ...
-2024-12-04 10:06:36,342 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:36,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,343 - INFO - number of orbitals:  135
-2024-12-04 10:06:36,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,343 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,343 - INFO - moving on ...
-2024-12-04 10:06:36,343 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:36,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,344 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,344 - INFO - moving on ...
-2024-12-04 10:06:36,344 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:36,345 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:36,345 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:36,345 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,345 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:36,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,346 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,346 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,346 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:36,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:36,346 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:36,356 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,356 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,356 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:36,357 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:36,357 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:36,357 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,357 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:36,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,358 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,358 - INFO - moving on ...
-2024-12-04 10:06:36,358 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:36,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,359 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,359 - INFO - moving on ...
-2024-12-04 10:06:36,359 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:36,360 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:36,360 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:36,360 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,360 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:36,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,361 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,361 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,361 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:36,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:36,361 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:36,371 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,371 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,371 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:36,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:36,372 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,372 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:36,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,373 - INFO - number of orbitals:  55
-2024-12-04 10:06:36,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,373 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,373 - INFO - moving on ...
-2024-12-04 10:06:36,373 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:36,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,374 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,374 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,374 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 10:06:36,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 10:06:36,374 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 10:06:36,384 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,385 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,385 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 10:06:36,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 10:06:36,385 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,385 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:36,385 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:36,385 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:36,385 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,385 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:36,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,385 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,385 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,387 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,387 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,387 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-04 10:06:36,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-04 10:06:36,387 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-04 10:06:36,397 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,397 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,398 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:36,398 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,398 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,398 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,399 - INFO - number of orbitals:  53
-2024-12-04 10:06:36,399 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,400 - INFO - moving on ...
-2024-12-04 10:06:36,400 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:36,400 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,400 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,400 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,401 - INFO - number of orbitals:  58
-2024-12-04 10:06:36,401 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,401 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,401 - INFO - moving on ...
-2024-12-04 10:06:36,402 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:36,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,403 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,403 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,403 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-04 10:06:36,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-04 10:06:36,403 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-04 10:06:36,413 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,414 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,414 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:36,414 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,414 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,414 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,416 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,416 - INFO - moving on ...
-2024-12-04 10:06:36,416 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:36,416 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,416 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,416 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,417 - INFO - number of orbitals:  55
-2024-12-04 10:06:36,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,418 - INFO - moving on ...
-2024-12-04 10:06:36,418 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:36,418 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,418 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,418 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,419 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,419 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,419 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-04 10:06:36,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-04 10:06:36,419 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-04 10:06:36,430 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,430 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,430 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:36,430 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,430 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,430 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,432 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,432 - INFO - moving on ...
-2024-12-04 10:06:36,432 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:36,432 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,432 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,432 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,434 - INFO - number of orbitals:  55
-2024-12-04 10:06:36,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,434 - INFO - moving on ...
-2024-12-04 10:06:36,434 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:36,434 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:36,434 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:36,434 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,434 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:36,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,436 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,436 - INFO - moving on ...
-2024-12-04 10:06:36,436 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:36,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,437 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,437 - INFO - moving on ...
-2024-12-04 10:06:36,437 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:36,437 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:36,438 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:36,438 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,438 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:36,438 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,438 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,438 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,439 - INFO - number of orbitals:  55
-2024-12-04 10:06:36,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,439 - INFO - moving on ...
-2024-12-04 10:06:36,440 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:36,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,440 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,440 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,441 - INFO - number of orbitals:  70
-2024-12-04 10:06:36,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,441 - INFO - moving on ...
-2024-12-04 10:06:36,441 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:36,441 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,442 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,442 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,443 - INFO - number of orbitals:  55
-2024-12-04 10:06:36,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,443 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,443 - INFO - moving on ...
-2024-12-04 10:06:36,443 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:36,443 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,443 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,443 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,445 - INFO - number of orbitals:  69
-2024-12-04 10:06:36,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,445 - INFO - moving on ...
-2024-12-04 10:06:36,445 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:36,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,447 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,447 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,447 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 10:06:36,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 10:06:36,447 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 10:06:36,457 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,457 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,458 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:36,458 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,458 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,458 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,459 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,460 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,460 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-04 10:06:36,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-04 10:06:36,460 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-04 10:06:36,470 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,470 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,470 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:36,470 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,472 - INFO - number of orbitals:  55
-2024-12-04 10:06:36,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,472 - INFO - moving on ...
-2024-12-04 10:06:36,472 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:36,472 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,474 - INFO - number of orbitals:  69
-2024-12-04 10:06:36,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,474 - INFO - moving on ...
-2024-12-04 10:06:36,474 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:36,474 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,474 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,474 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,476 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,476 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,476 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 10:06:36,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 10:06:36,476 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 10:06:36,486 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,486 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,486 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:36,486 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,486 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,486 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,488 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,488 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,488 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-04 10:06:36,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-04 10:06:36,488 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-04 10:06:36,498 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,498 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,498 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:36,498 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,499 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,499 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,500 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,500 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,500 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 10:06:36,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 10:06:36,500 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 10:06:36,510 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,511 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,511 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:36,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,513 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,513 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,513 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-04 10:06:36,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-04 10:06:36,513 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-04 10:06:36,523 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,524 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,524 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:36,524 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,524 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,524 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,526 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,526 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,526 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 10:06:36,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 10:06:36,526 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 10:06:36,536 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,536 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,536 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:36,537 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,537 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,537 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,538 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,539 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,539 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-04 10:06:36,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-04 10:06:36,539 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-04 10:06:36,549 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,549 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,549 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:36,549 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,549 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,549 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,551 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,551 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,551 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 10:06:36,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 10:06:36,551 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 10:06:36,562 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,562 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,562 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:36,562 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,564 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,564 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,564 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-04 10:06:36,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-04 10:06:36,564 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-04 10:06:36,574 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,575 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,575 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:36,575 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:36,575 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:36,575 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,575 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:36,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,576 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,576 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,576 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-04 10:06:36,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-04 10:06:36,576 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-04 10:06:36,587 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,587 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,587 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-04 10:06:36,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-04 10:06:36,587 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,588 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:36,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,589 - INFO - number of orbitals:  118
-2024-12-04 10:06:36,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,589 - INFO - moving on ...
-2024-12-04 10:06:36,589 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:36,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,590 - INFO - number of orbitals:  68
-2024-12-04 10:06:36,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,590 - INFO - moving on ...
-2024-12-04 10:06:36,590 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:36,590 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:36,590 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:36,590 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,590 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:36,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,592 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,592 - INFO - moving on ...
-2024-12-04 10:06:36,592 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:36,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,593 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,593 - INFO - moving on ...
-2024-12-04 10:06:36,593 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:36,593 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:36,593 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:36,593 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,593 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:36,593 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,593 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,593 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,595 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,595 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,595 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-04 10:06:36,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-04 10:06:36,595 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-04 10:06:36,605 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,605 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,606 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:36,606 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,606 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,606 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,608 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,608 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,608 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:36,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:36,608 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:36,618 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,619 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,619 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:36,619 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,619 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,619 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,621 - INFO - number of orbitals:  90
-2024-12-04 10:06:36,621 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,621 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,621 - INFO - moving on ...
-2024-12-04 10:06:36,621 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:36,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,621 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,621 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,623 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,623 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,623 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-04 10:06:36,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-04 10:06:36,623 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-04 10:06:36,633 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,634 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,634 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:36,634 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,634 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,634 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,636 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,636 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,636 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:36,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:36,636 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:36,646 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,646 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,646 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:36,647 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:36,647 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:36,647 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:36,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,648 - INFO - number of orbitals:  90
-2024-12-04 10:06:36,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,648 - INFO - moving on ...
-2024-12-04 10:06:36,648 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:36,649 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:36,649 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:36,649 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,649 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:36,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,650 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,650 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,650 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 10:06:36,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 10:06:36,650 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 10:06:36,661 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,661 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,661 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 10:06:36,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 10:06:36,661 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,661 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:36,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,663 - INFO - number of orbitals:  74
-2024-12-04 10:06:36,663 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,663 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,663 - INFO - moving on ...
-2024-12-04 10:06:36,663 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:36,663 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:36,663 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:36,663 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,663 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:36,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,664 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,664 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,664 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:36,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:36,664 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:36,675 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,675 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,675 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:36,675 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:36,675 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:36,675 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,675 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:36,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,677 - INFO - number of orbitals:  70
-2024-12-04 10:06:36,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,677 - INFO - moving on ...
-2024-12-04 10:06:36,677 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:36,677 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:36,677 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:36,677 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,677 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:36,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,678 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,678 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,678 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 10:06:36,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 10:06:36,679 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 10:06:36,688 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,689 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,689 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 10:06:36,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 10:06:36,689 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,689 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:36,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,690 - INFO - number of orbitals:  79
-2024-12-04 10:06:36,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,690 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,690 - INFO - moving on ...
-2024-12-04 10:06:36,690 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:36,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,692 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,692 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,692 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-04 10:06:36,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-04 10:06:36,692 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-04 10:06:36,702 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,702 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,702 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-04 10:06:36,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-04 10:06:36,702 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,702 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:36,702 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:36,702 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:36,702 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,702 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:36,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,704 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,704 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,704 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 10:06:36,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 10:06:36,704 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 10:06:36,714 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,715 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,715 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 10:06:36,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 10:06:36,715 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,715 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:36,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,716 - INFO - number of orbitals:  79
-2024-12-04 10:06:36,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,716 - INFO - moving on ...
-2024-12-04 10:06:36,716 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:36,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,718 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,718 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,718 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-04 10:06:36,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-04 10:06:36,718 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-04 10:06:36,728 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,728 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,728 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-04 10:06:36,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-04 10:06:36,728 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,729 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:36,729 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:36,729 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:36,729 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,729 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:36,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,730 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,730 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,730 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 10:06:36,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 10:06:36,730 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 10:06:36,741 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,741 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,742 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 10:06:36,742 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 10:06:36,742 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,742 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:36,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,743 - INFO - number of orbitals:  110
-2024-12-04 10:06:36,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,743 - INFO - moving on ...
-2024-12-04 10:06:36,743 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:36,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,745 - INFO - number of orbitals:  60
-2024-12-04 10:06:36,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,745 - INFO - moving on ...
-2024-12-04 10:06:36,745 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:36,745 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:36,745 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:36,745 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,745 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:36,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,746 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,747 - INFO - moving on ...
-2024-12-04 10:06:36,747 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:36,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,748 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,748 - INFO - moving on ...
-2024-12-04 10:06:36,748 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:36,748 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:36,748 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:36,748 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,748 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:36,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,749 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,749 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,749 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 10:06:36,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 10:06:36,750 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 10:06:36,761 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,761 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,761 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 10:06:36,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 10:06:36,761 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,761 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:36,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,763 - INFO - number of orbitals:  72
-2024-12-04 10:06:36,763 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,763 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,763 - INFO - moving on ...
-2024-12-04 10:06:36,763 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:36,763 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:36,763 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:36,763 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,763 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:36,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,764 - INFO - number of orbitals:  54
-2024-12-04 10:06:36,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,765 - INFO - moving on ...
-2024-12-04 10:06:36,765 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:36,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,766 - INFO - number of orbitals:  135
-2024-12-04 10:06:36,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,766 - INFO - moving on ...
-2024-12-04 10:06:36,766 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:36,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,767 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,767 - INFO - moving on ...
-2024-12-04 10:06:36,767 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:36,767 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:36,767 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:36,767 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,768 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:36,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,769 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,769 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,769 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:36,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:36,769 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:36,779 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,779 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,779 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:36,779 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:36,779 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:36,780 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,780 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:36,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,781 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,781 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,781 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-04 10:06:36,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-04 10:06:36,781 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-04 10:06:36,791 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,792 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,792 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-04 10:06:36,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-04 10:06:36,792 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,792 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:36,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,793 - INFO - number of orbitals:  90
-2024-12-04 10:06:36,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,793 - INFO - moving on ...
-2024-12-04 10:06:36,793 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:36,794 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:36,794 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:36,794 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,794 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:36,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,795 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,795 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,795 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 10:06:36,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 10:06:36,795 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 10:06:36,805 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,806 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,806 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 10:06:36,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 10:06:36,806 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,806 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:36,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,807 - INFO - number of orbitals:  110
-2024-12-04 10:06:36,807 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,807 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,807 - INFO - moving on ...
-2024-12-04 10:06:36,807 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:36,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,809 - INFO - number of orbitals:  60
-2024-12-04 10:06:36,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,809 - INFO - moving on ...
-2024-12-04 10:06:36,809 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:36,810 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:36,810 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:36,810 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,810 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:36,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,811 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,812 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,812 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 10:06:36,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 10:06:36,812 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 10:06:36,827 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,828 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,828 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 10:06:36,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 10:06:36,828 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,828 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:36,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,830 - INFO - number of orbitals:  119
-2024-12-04 10:06:36,830 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,830 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,830 - INFO - moving on ...
-2024-12-04 10:06:36,830 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:36,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,832 - INFO - number of orbitals:  62
-2024-12-04 10:06:36,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,833 - INFO - moving on ...
-2024-12-04 10:06:36,833 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:36,833 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:36,833 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:36,833 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,833 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:36,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,835 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,835 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,835 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 10:06:36,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 10:06:36,835 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 10:06:36,847 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,847 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,847 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 10:06:36,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 10:06:36,848 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,848 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:36,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,849 - INFO - number of orbitals:  115
-2024-12-04 10:06:36,849 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,849 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,849 - INFO - moving on ...
-2024-12-04 10:06:36,849 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:36,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,850 - INFO - number of orbitals:  58
-2024-12-04 10:06:36,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,850 - INFO - moving on ...
-2024-12-04 10:06:36,850 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:36,851 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:36,851 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:36,851 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,851 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:36,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,852 - INFO - number of orbitals:  66
-2024-12-04 10:06:36,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,852 - INFO - moving on ...
-2024-12-04 10:06:36,852 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:36,852 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:36,852 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:36,852 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,852 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:36,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,854 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,854 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,854 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-04 10:06:36,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-04 10:06:36,854 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-04 10:06:36,865 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,866 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,866 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-04 10:06:36,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-04 10:06:36,866 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,866 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:36,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,868 - INFO - number of orbitals:  94
-2024-12-04 10:06:36,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,868 - INFO - moving on ...
-2024-12-04 10:06:36,868 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:36,868 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:36,868 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:36,868 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,868 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:36,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,870 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,870 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,870 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 10:06:36,870 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 10:06:36,870 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 10:06:36,886 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,886 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,886 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 10:06:36,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 10:06:36,887 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,887 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:36,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,889 - INFO - number of orbitals:  118
-2024-12-04 10:06:36,889 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,889 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,889 - INFO - moving on ...
-2024-12-04 10:06:36,889 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:36,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,890 - INFO - number of orbitals:  68
-2024-12-04 10:06:36,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,891 - INFO - moving on ...
-2024-12-04 10:06:36,891 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:36,891 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:36,891 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:36,891 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,891 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:36,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,892 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,893 - INFO - number of supporting files: 1
-2024-12-04 10:06:36,893 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 10:06:36,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 10:06:36,893 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 10:06:36,904 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,904 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,904 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:36,904 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:36,904 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:36,904 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,904 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:36,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,906 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,906 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,906 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 10:06:36,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 10:06:36,906 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 10:06:36,917 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,917 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,917 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 10:06:36,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 10:06:36,917 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,917 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:36,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,919 - INFO - number of orbitals:  110
-2024-12-04 10:06:36,919 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,919 - INFO - moving on ...
-2024-12-04 10:06:36,919 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:36,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,920 - INFO - number of orbitals:  60
-2024-12-04 10:06:36,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,920 - INFO - moving on ...
-2024-12-04 10:06:36,920 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:36,920 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:36,920 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:36,920 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,920 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:36,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,922 - INFO - number of orbitals:  76
-2024-12-04 10:06:36,922 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,922 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,922 - INFO - moving on ...
-2024-12-04 10:06:36,922 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:36,922 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:36,922 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:36,922 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,922 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:36,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,923 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,923 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,923 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-04 10:06:36,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-04 10:06:36,923 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-04 10:06:36,934 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,934 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,934 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-04 10:06:36,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-04 10:06:36,934 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,934 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:36,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,935 - INFO - number of orbitals:  106
-2024-12-04 10:06:36,936 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,936 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,936 - INFO - moving on ...
-2024-12-04 10:06:36,936 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:36,936 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:36,936 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:36,936 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,936 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:36,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,937 - INFO - number of orbitals:  76
-2024-12-04 10:06:36,937 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,937 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,937 - INFO - moving on ...
-2024-12-04 10:06:36,937 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:36,937 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:36,937 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:36,937 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,937 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:36,938 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,938 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,938 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,938 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 10:06:36,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 10:06:36,938 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 10:06:36,948 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,948 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,949 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 10:06:36,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 10:06:36,949 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,949 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:36,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,950 - INFO - number of orbitals:  76
-2024-12-04 10:06:36,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,950 - INFO - moving on ...
-2024-12-04 10:06:36,950 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:36,950 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:36,950 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:36,950 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,950 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:36,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,952 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,952 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,952 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-04 10:06:36,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-04 10:06:36,952 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-04 10:06:36,962 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,962 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,962 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-04 10:06:36,962 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-04 10:06:36,962 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,962 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:36,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,964 - INFO - number of orbitals:  118
-2024-12-04 10:06:36,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,964 - INFO - moving on ...
-2024-12-04 10:06:36,964 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:36,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,965 - INFO - number of orbitals:  68
-2024-12-04 10:06:36,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,965 - INFO - moving on ...
-2024-12-04 10:06:36,965 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:36,965 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:36,965 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:36,965 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,965 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:36,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,966 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,967 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,967 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 10:06:36,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 10:06:36,967 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 10:06:36,977 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,977 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,977 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 10:06:36,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 10:06:36,977 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,977 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:36,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,979 - INFO - number of orbitals:  86
-2024-12-04 10:06:36,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-04 10:06:36,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,979 - INFO - moving on ...
-2024-12-04 10:06:36,979 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:36,979 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:36,979 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:36,979 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,979 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:36,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,980 - INFO - number of orbitals:  58
-2024-12-04 10:06:36,980 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:36,980 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,980 - INFO - moving on ...
-2024-12-04 10:06:36,980 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:36,981 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:36,981 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:36,981 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,981 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:36,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,982 - INFO - number of orbitals:  69
-2024-12-04 10:06:36,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:36,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,982 - INFO - moving on ...
-2024-12-04 10:06:36,982 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:36,982 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:36,982 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:36,982 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,982 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:36,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,983 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,984 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,984 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-04 10:06:36,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-04 10:06:36,984 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-04 10:06:36,994 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:36,994 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:36,994 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-04 10:06:36,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-04 10:06:36,994 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:36,994 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:36,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,996 - INFO - number of orbitals:  88
-2024-12-04 10:06:36,996 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:36,996 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:36,996 - INFO - moving on ...
-2024-12-04 10:06:36,996 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:36,996 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:36,996 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:36,996 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:36,996 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:36,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:36,997 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:36,998 - INFO - number of supporting files: 2
-2024-12-04 10:06:36,998 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-04 10:06:36,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-04 10:06:36,998 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-04 10:06:37,010 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,011 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,011 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-04 10:06:37,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-04 10:06:37,011 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,011 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:37,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,012 - INFO - number of orbitals:  118
-2024-12-04 10:06:37,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,012 - INFO - moving on ...
-2024-12-04 10:06:37,012 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:37,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,013 - INFO - number of orbitals:  68
-2024-12-04 10:06:37,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,014 - INFO - moving on ...
-2024-12-04 10:06:37,014 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:37,014 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:37,014 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:37,014 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,014 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:37,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,015 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,015 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,015 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 10:06:37,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 10:06:37,015 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 10:06:37,026 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,026 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,026 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 10:06:37,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 10:06:37,026 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,026 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:37,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,027 - INFO - number of orbitals:  119
-2024-12-04 10:06:37,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,027 - INFO - moving on ...
-2024-12-04 10:06:37,027 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:37,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,029 - INFO - number of orbitals:  62
-2024-12-04 10:06:37,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,029 - INFO - moving on ...
-2024-12-04 10:06:37,029 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:37,029 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:37,029 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:37,029 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,029 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:37,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,030 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,030 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,030 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-04 10:06:37,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-04 10:06:37,030 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-04 10:06:37,040 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,041 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,041 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-04 10:06:37,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-04 10:06:37,041 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,041 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:37,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,042 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,042 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,042 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,042 - INFO - moving on ...
-2024-12-04 10:06:37,042 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:37,043 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:37,043 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:37,043 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,043 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:37,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,044 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,044 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,044 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-04 10:06:37,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-04 10:06:37,044 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-04 10:06:37,054 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,054 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,055 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-04 10:06:37,055 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-04 10:06:37,055 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,055 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:37,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,056 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,056 - INFO - moving on ...
-2024-12-04 10:06:37,056 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:37,056 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:37,056 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:37,056 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,056 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:37,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,058 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,058 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,058 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-04 10:06:37,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-04 10:06:37,058 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-04 10:06:37,068 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,068 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,068 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-04 10:06:37,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-04 10:06:37,069 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,069 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:37,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,070 - INFO - number of orbitals:  90
-2024-12-04 10:06:37,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,070 - INFO - moving on ...
-2024-12-04 10:06:37,070 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:37,070 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:37,070 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:37,070 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,070 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:37,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,071 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,072 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,072 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-04 10:06:37,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-04 10:06:37,072 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-04 10:06:37,082 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,082 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,083 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-04 10:06:37,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-04 10:06:37,083 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,083 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:37,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,084 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,084 - INFO - moving on ...
-2024-12-04 10:06:37,084 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:37,084 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:37,084 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:37,084 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,084 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:37,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,086 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,086 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,086 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-04 10:06:37,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-04 10:06:37,086 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-04 10:06:37,096 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,097 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,097 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-04 10:06:37,097 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-04 10:06:37,097 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,097 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:37,097 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:37,097 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:37,097 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,097 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:37,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,099 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,099 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,099 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-04 10:06:37,099 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-04 10:06:37,099 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-04 10:06:37,109 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,110 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,110 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-04 10:06:37,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-04 10:06:37,110 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,110 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:37,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,111 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,111 - INFO - moving on ...
-2024-12-04 10:06:37,111 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:37,112 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:37,112 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:37,112 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,112 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:37,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,113 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,113 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,113 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 10:06:37,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 10:06:37,113 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 10:06:37,123 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,124 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,124 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 10:06:37,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 10:06:37,124 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,124 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:37,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,125 - INFO - number of orbitals:  110
-2024-12-04 10:06:37,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,125 - INFO - moving on ...
-2024-12-04 10:06:37,125 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:37,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,127 - INFO - number of orbitals:  60
-2024-12-04 10:06:37,127 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,127 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,127 - INFO - moving on ...
-2024-12-04 10:06:37,127 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:37,127 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:37,127 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:37,127 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,127 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:37,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,128 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,128 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,128 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 10:06:37,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 10:06:37,128 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 10:06:37,139 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,139 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,139 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 10:06:37,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 10:06:37,139 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,139 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:37,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,140 - INFO - number of orbitals:  76
-2024-12-04 10:06:37,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,141 - INFO - moving on ...
-2024-12-04 10:06:37,141 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:37,141 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:37,141 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:37,141 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,141 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:37,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,142 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,142 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,142 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 10:06:37,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 10:06:37,142 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 10:06:37,152 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,153 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,153 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 10:06:37,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 10:06:37,153 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,153 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:37,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,154 - INFO - number of orbitals:  64
-2024-12-04 10:06:37,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,154 - INFO - moving on ...
-2024-12-04 10:06:37,154 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:37,154 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:37,154 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:37,155 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,155 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:37,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,156 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,156 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,156 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 10:06:37,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 10:06:37,156 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 10:06:37,166 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,167 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,167 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:37,167 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:37,167 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:37,167 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,167 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:37,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,168 - INFO - number of orbitals:  76
-2024-12-04 10:06:37,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,169 - INFO - moving on ...
-2024-12-04 10:06:37,169 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:37,169 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:37,169 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:37,169 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,169 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:37,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,170 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,170 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,170 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-04 10:06:37,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-04 10:06:37,170 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-04 10:06:37,180 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,181 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,181 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-04 10:06:37,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-04 10:06:37,181 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,181 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:37,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,182 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,182 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,182 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,182 - INFO - moving on ...
-2024-12-04 10:06:37,182 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:37,183 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:37,183 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:37,183 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,183 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:37,183 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,183 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,183 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,185 - INFO - number of orbitals:  69
-2024-12-04 10:06:37,185 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,185 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,185 - INFO - moving on ...
-2024-12-04 10:06:37,185 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:37,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,187 - INFO - number of orbitals:  70
-2024-12-04 10:06:37,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,187 - INFO - moving on ...
-2024-12-04 10:06:37,187 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:37,187 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,187 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,187 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,189 - INFO - number of orbitals:  69
-2024-12-04 10:06:37,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,189 - INFO - moving on ...
-2024-12-04 10:06:37,189 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:37,189 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:37,189 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:37,189 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,189 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:37,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,190 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,190 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,190 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-04 10:06:37,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-04 10:06:37,190 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-04 10:06:37,201 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,201 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,201 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-04 10:06:37,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-04 10:06:37,201 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,201 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:37,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,203 - INFO - number of orbitals:  116
-2024-12-04 10:06:37,203 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,203 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,203 - INFO - moving on ...
-2024-12-04 10:06:37,203 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:37,203 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:37,203 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:37,203 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,203 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:37,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,204 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,205 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,205 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 10:06:37,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 10:06:37,205 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 10:06:37,215 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,215 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,215 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:37,216 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:37,216 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:37,216 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,216 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:37,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,217 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,217 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,217 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-04 10:06:37,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-04 10:06:37,217 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-04 10:06:37,228 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,228 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,228 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-04 10:06:37,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-04 10:06:37,228 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,228 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:37,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,230 - INFO - number of orbitals:  135
-2024-12-04 10:06:37,230 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,230 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,230 - INFO - moving on ...
-2024-12-04 10:06:37,230 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:37,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,232 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,232 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,232 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,232 - INFO - moving on ...
-2024-12-04 10:06:37,232 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:37,232 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:37,232 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:37,232 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,232 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:37,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,233 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,233 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,233 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 10:06:37,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 10:06:37,233 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 10:06:37,244 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,244 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,244 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 10:06:37,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 10:06:37,244 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,244 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:37,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,246 - INFO - number of orbitals:  79
-2024-12-04 10:06:37,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,246 - INFO - moving on ...
-2024-12-04 10:06:37,246 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:37,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,247 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,247 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,247 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-04 10:06:37,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-04 10:06:37,247 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-04 10:06:37,258 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,258 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,258 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-04 10:06:37,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-04 10:06:37,258 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,258 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:37,259 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:37,259 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:37,259 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,259 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:37,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,260 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,260 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,260 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 10:06:37,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 10:06:37,260 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 10:06:37,271 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,271 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,271 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:37,271 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:37,271 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:37,271 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,271 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:37,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,273 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,273 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,273 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 10:06:37,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 10:06:37,273 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 10:06:37,284 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,284 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,284 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 10:06:37,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 10:06:37,284 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,284 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:37,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,285 - INFO - number of orbitals:  114
-2024-12-04 10:06:37,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,286 - INFO - moving on ...
-2024-12-04 10:06:37,286 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:37,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,287 - INFO - number of orbitals:  64
-2024-12-04 10:06:37,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,287 - INFO - moving on ...
-2024-12-04 10:06:37,287 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:37,287 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:37,287 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:37,287 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,287 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:37,287 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,287 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,287 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,289 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,289 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,289 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:37,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:37,289 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:37,300 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,301 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,301 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:37,301 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,301 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,301 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,303 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,304 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,304 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 10:06:37,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 10:06:37,304 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 10:06:37,314 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,315 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,315 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:37,315 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,315 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,315 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,317 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,317 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,317 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:37,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:37,317 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:37,328 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,328 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,328 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:37,328 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,329 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,329 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,330 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,331 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,331 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-04 10:06:37,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-04 10:06:37,331 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-04 10:06:37,342 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,343 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,343 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:37,343 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,343 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,343 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,345 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,345 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,345 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:37,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:37,346 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:37,356 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,356 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,357 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:37,357 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,357 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,357 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,359 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,359 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,359 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 10:06:37,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 10:06:37,359 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 10:06:37,369 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,370 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,370 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:37,370 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:37,370 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:37,370 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,370 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:37,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,371 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,372 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,372 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-04 10:06:37,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-04 10:06:37,372 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-04 10:06:37,382 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,382 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,382 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-04 10:06:37,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-04 10:06:37,382 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,382 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:37,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,384 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,384 - INFO - moving on ...
-2024-12-04 10:06:37,384 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:37,384 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:37,384 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:37,384 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,384 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:37,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,386 - INFO - number of orbitals:  76
-2024-12-04 10:06:37,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,386 - INFO - moving on ...
-2024-12-04 10:06:37,386 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:37,386 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:37,386 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:37,386 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,386 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:37,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,387 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,387 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,387 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-04 10:06:37,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-04 10:06:37,387 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-04 10:06:37,398 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,398 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,398 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-04 10:06:37,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-04 10:06:37,398 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,399 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:37,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,400 - INFO - number of orbitals:  135
-2024-12-04 10:06:37,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,400 - INFO - moving on ...
-2024-12-04 10:06:37,400 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:37,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,401 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,401 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,401 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,401 - INFO - moving on ...
-2024-12-04 10:06:37,401 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:37,401 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:37,402 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:37,402 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,402 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:37,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,403 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,403 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,403 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 10:06:37,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 10:06:37,403 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 10:06:37,414 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,414 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,415 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 10:06:37,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 10:06:37,415 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,415 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:37,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,416 - INFO - number of orbitals:  79
-2024-12-04 10:06:37,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,416 - INFO - moving on ...
-2024-12-04 10:06:37,416 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:37,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,418 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,418 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,418 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-04 10:06:37,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-04 10:06:37,418 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-04 10:06:37,429 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,430 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,430 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-04 10:06:37,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-04 10:06:37,430 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,430 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:37,430 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:37,430 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:37,430 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,430 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:37,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,432 - INFO - number of orbitals:  76
-2024-12-04 10:06:37,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,432 - INFO - moving on ...
-2024-12-04 10:06:37,432 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:37,432 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:37,432 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:37,432 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,432 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:37,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,434 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,434 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,434 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-04 10:06:37,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-04 10:06:37,434 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-04 10:06:37,445 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,445 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,445 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-04 10:06:37,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-04 10:06:37,445 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,445 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:37,446 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:37,446 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:37,446 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,446 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:37,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,447 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,447 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,447 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:37,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:37,447 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:37,458 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,458 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,458 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:37,458 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:37,458 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:37,458 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,458 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:37,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,460 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,460 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,460 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-04 10:06:37,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-04 10:06:37,460 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-04 10:06:37,471 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,471 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,471 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-04 10:06:37,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-04 10:06:37,471 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,471 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:37,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,473 - INFO - number of orbitals:  118
-2024-12-04 10:06:37,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,473 - INFO - moving on ...
-2024-12-04 10:06:37,473 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:37,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,474 - INFO - number of orbitals:  68
-2024-12-04 10:06:37,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,474 - INFO - moving on ...
-2024-12-04 10:06:37,474 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:37,474 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:37,474 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:37,474 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,474 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:37,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,476 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,476 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,476 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-04 10:06:37,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-04 10:06:37,476 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-04 10:06:37,486 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,486 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,487 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-04 10:06:37,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-04 10:06:37,487 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,487 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:37,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,488 - INFO - number of orbitals:  116
-2024-12-04 10:06:37,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,488 - INFO - moving on ...
-2024-12-04 10:06:37,488 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:37,488 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:37,488 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:37,488 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,488 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:37,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,490 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,490 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,490 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 10:06:37,490 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 10:06:37,490 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 10:06:37,500 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,501 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,501 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 10:06:37,501 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 10:06:37,501 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,501 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:37,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,502 - INFO - number of orbitals:  86
-2024-12-04 10:06:37,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,502 - INFO - moving on ...
-2024-12-04 10:06:37,502 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:37,503 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:37,503 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:37,503 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,503 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:37,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,504 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,504 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,504 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-04 10:06:37,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-04 10:06:37,504 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-04 10:06:37,515 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,515 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,515 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-04 10:06:37,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-04 10:06:37,515 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,515 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:37,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,516 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,517 - INFO - moving on ...
-2024-12-04 10:06:37,517 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:37,517 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:37,517 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:37,517 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,517 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:37,517 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,517 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,517 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,519 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,519 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,519 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-04 10:06:37,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-04 10:06:37,519 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-04 10:06:37,529 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,530 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,530 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:37,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,530 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,532 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,532 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,532 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:37,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:37,532 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:37,542 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,543 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,543 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:37,543 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,543 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,543 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,545 - INFO - number of orbitals:  90
-2024-12-04 10:06:37,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,545 - INFO - moving on ...
-2024-12-04 10:06:37,545 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:37,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,547 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,547 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,547 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-04 10:06:37,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-04 10:06:37,547 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-04 10:06:37,558 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,558 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,558 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:37,558 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,558 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,559 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,560 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,561 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,561 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:37,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:37,561 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:37,572 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,572 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,572 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:37,572 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,572 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,572 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,574 - INFO - number of orbitals:  90
-2024-12-04 10:06:37,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,574 - INFO - moving on ...
-2024-12-04 10:06:37,574 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:37,575 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:37,575 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:37,575 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,575 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:37,575 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,575 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,575 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,577 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,577 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,577 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:37,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:37,577 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:37,590 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,591 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,591 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:37,591 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,591 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,591 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,594 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,594 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,594 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 10:06:37,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 10:06:37,594 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 10:06:37,610 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,610 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,610 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:37,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,610 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,610 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,612 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,612 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,612 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:37,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:37,613 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:37,623 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,623 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,624 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:37,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,625 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,626 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,626 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 10:06:37,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 10:06:37,626 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 10:06:37,636 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,636 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,636 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:37,636 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,636 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,636 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,638 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,638 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,638 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:37,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:37,638 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:37,649 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,649 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,649 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:37,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,650 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,650 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,652 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,652 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,652 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 10:06:37,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 10:06:37,652 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 10:06:37,662 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,663 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,663 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:37,663 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,663 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,663 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,665 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,665 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,665 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:37,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:37,665 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:37,675 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,675 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,675 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:37,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,675 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,675 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,677 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,677 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,677 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 10:06:37,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 10:06:37,677 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 10:06:37,687 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,687 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,687 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:37,687 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:37,687 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:37,687 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,688 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:37,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,689 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,689 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,689 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-04 10:06:37,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-04 10:06:37,689 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-04 10:06:37,699 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,699 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,699 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-04 10:06:37,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-04 10:06:37,700 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,700 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:37,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,701 - INFO - number of orbitals:  88
-2024-12-04 10:06:37,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,701 - INFO - moving on ...
-2024-12-04 10:06:37,701 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:37,701 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:37,701 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:37,701 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,701 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:37,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,703 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,703 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,703 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 10:06:37,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 10:06:37,703 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 10:06:37,713 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,714 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,714 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 10:06:37,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 10:06:37,714 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,714 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:37,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,715 - INFO - number of orbitals:  115
-2024-12-04 10:06:37,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,715 - INFO - moving on ...
-2024-12-04 10:06:37,715 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:37,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,717 - INFO - number of orbitals:  58
-2024-12-04 10:06:37,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,717 - INFO - moving on ...
-2024-12-04 10:06:37,717 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:37,717 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:37,717 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:37,717 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,717 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:37,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,718 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,718 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,718 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 10:06:37,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 10:06:37,718 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 10:06:37,729 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,729 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,729 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 10:06:37,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 10:06:37,729 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,730 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:37,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,731 - INFO - number of orbitals:  118
-2024-12-04 10:06:37,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,731 - INFO - moving on ...
-2024-12-04 10:06:37,731 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:37,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,732 - INFO - number of orbitals:  68
-2024-12-04 10:06:37,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,732 - INFO - moving on ...
-2024-12-04 10:06:37,732 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:37,732 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:37,733 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:37,733 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,733 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:37,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,734 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,734 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,734 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 10:06:37,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 10:06:37,734 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 10:06:37,744 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,745 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,745 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 10:06:37,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 10:06:37,745 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,745 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:37,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,746 - INFO - number of orbitals:  110
-2024-12-04 10:06:37,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,746 - INFO - moving on ...
-2024-12-04 10:06:37,746 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:37,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,748 - INFO - number of orbitals:  60
-2024-12-04 10:06:37,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,748 - INFO - moving on ...
-2024-12-04 10:06:37,748 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:37,748 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:37,748 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:37,748 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,748 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:37,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,749 - INFO - number of orbitals:  76
-2024-12-04 10:06:37,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,749 - INFO - moving on ...
-2024-12-04 10:06:37,749 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:37,749 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:37,749 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:37,749 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,750 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:37,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,751 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,751 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,751 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 10:06:37,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 10:06:37,751 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 10:06:37,761 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,762 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,762 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 10:06:37,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 10:06:37,762 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,762 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:37,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,763 - INFO - number of orbitals:  89
-2024-12-04 10:06:37,763 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,763 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,763 - INFO - moving on ...
-2024-12-04 10:06:37,763 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:37,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,764 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,764 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,764 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-04 10:06:37,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-04 10:06:37,765 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-04 10:06:37,775 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,775 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,775 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-04 10:06:37,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-04 10:06:37,775 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,775 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:37,776 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:37,776 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:37,776 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,776 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:37,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,777 - INFO - number of orbitals:  76
-2024-12-04 10:06:37,777 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,777 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,777 - INFO - moving on ...
-2024-12-04 10:06:37,777 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:37,777 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:37,777 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:37,777 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,777 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:37,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,779 - INFO - number of orbitals:  70
-2024-12-04 10:06:37,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,779 - INFO - moving on ...
-2024-12-04 10:06:37,779 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:37,779 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:37,779 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:37,779 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,779 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:37,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,780 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,780 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,780 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-04 10:06:37,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-04 10:06:37,781 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-04 10:06:37,793 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,794 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,794 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-04 10:06:37,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-04 10:06:37,794 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,794 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:37,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,796 - INFO - number of orbitals:  90
-2024-12-04 10:06:37,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,796 - INFO - moving on ...
-2024-12-04 10:06:37,796 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:37,796 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:37,796 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:37,796 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,796 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:37,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,798 - INFO - number of orbitals:  66
-2024-12-04 10:06:37,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,798 - INFO - moving on ...
-2024-12-04 10:06:37,798 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:37,798 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:37,798 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:37,798 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,798 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:37,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,800 - INFO - number of orbitals:  76
-2024-12-04 10:06:37,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,800 - INFO - moving on ...
-2024-12-04 10:06:37,800 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:37,800 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:37,801 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:37,801 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,801 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:37,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,802 - INFO - number of orbitals:  76
-2024-12-04 10:06:37,802 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,802 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,802 - INFO - moving on ...
-2024-12-04 10:06:37,802 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:37,803 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:37,803 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:37,803 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,803 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:37,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,804 - INFO - number of orbitals:  69
-2024-12-04 10:06:37,804 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,804 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,804 - INFO - moving on ...
-2024-12-04 10:06:37,804 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:37,805 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:37,805 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:37,805 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,805 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:37,805 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,805 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,805 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,807 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,807 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,807 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 10:06:37,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 10:06:37,807 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 10:06:37,819 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,819 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,819 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:37,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,820 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,822 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,822 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,822 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-04 10:06:37,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-04 10:06:37,822 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-04 10:06:37,834 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,834 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,834 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:37,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,835 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,835 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,837 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,837 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,837 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-04 10:06:37,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-04 10:06:37,837 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-04 10:06:37,848 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,848 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,848 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:37,848 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,848 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,848 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,851 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,851 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,851 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 10:06:37,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 10:06:37,851 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 10:06:37,862 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,862 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,863 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:37,863 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:37,863 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:37,863 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,863 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:37,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,864 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,864 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,864 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-04 10:06:37,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-04 10:06:37,864 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-04 10:06:37,875 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,875 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,875 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-04 10:06:37,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-04 10:06:37,875 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,875 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:37,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,877 - INFO - number of orbitals:  106
-2024-12-04 10:06:37,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,877 - INFO - moving on ...
-2024-12-04 10:06:37,877 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:37,877 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:37,877 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:37,877 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,877 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:37,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,879 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,879 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,879 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 10:06:37,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 10:06:37,879 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 10:06:37,889 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,890 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,890 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 10:06:37,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 10:06:37,890 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,890 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:37,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,891 - INFO - number of orbitals:  72
-2024-12-04 10:06:37,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,891 - INFO - moving on ...
-2024-12-04 10:06:37,892 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:37,892 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:37,892 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:37,892 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,892 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:37,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,894 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,894 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,894 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 10:06:37,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 10:06:37,894 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 10:06:37,904 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,905 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,905 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:37,905 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,905 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,905 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,907 - INFO - number of orbitals:  108
-2024-12-04 10:06:37,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,907 - INFO - moving on ...
-2024-12-04 10:06:37,907 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:37,907 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:37,907 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:37,907 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,907 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:37,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,908 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,908 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,908 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 10:06:37,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 10:06:37,908 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 10:06:37,919 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,919 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,919 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 10:06:37,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 10:06:37,920 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,920 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:37,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,921 - INFO - number of orbitals:  74
-2024-12-04 10:06:37,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,921 - INFO - moving on ...
-2024-12-04 10:06:37,921 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:37,921 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:37,921 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:37,921 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,921 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:37,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,922 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,923 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,923 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:37,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:37,923 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:37,933 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,933 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,933 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:37,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:37,934 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,934 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:37,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,936 - INFO - number of orbitals:  85
-2024-12-04 10:06:37,936 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,936 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,936 - INFO - moving on ...
-2024-12-04 10:06:37,936 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:37,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,937 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,938 - INFO - number of supporting files: 2
-2024-12-04 10:06:37,938 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-04 10:06:37,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-04 10:06:37,938 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-04 10:06:37,952 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,952 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,952 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-04 10:06:37,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-04 10:06:37,953 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:37,953 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:37,953 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:37,953 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:37,953 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:37,954 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:37,954 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,954 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,954 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,956 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,956 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,956 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-04 10:06:37,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-04 10:06:37,956 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-04 10:06:37,970 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,970 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,970 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:37,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,972 - INFO - number of orbitals:  70
-2024-12-04 10:06:37,972 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,972 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,972 - INFO - moving on ...
-2024-12-04 10:06:37,972 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:37,972 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,972 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,972 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,974 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,974 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,974 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-04 10:06:37,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-04 10:06:37,974 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-04 10:06:37,985 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:37,985 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-04 10:06:37,985 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:37,985 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,987 - INFO - number of orbitals:  69
-2024-12-04 10:06:37,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:37,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:37,987 - INFO - moving on ...
-2024-12-04 10:06:37,987 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:37,987 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:37,987 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:37,987 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:37,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:37,989 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:37,989 - INFO - number of supporting files: 1
-2024-12-04 10:06:37,989 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 10:06:37,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 10:06:37,989 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 10:06:38,000 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,000 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,000 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:38,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,003 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,003 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,003 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-04 10:06:38,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-04 10:06:38,003 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-04 10:06:38,013 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,014 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,014 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:38,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,016 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,016 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,016 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-04 10:06:38,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-04 10:06:38,016 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-04 10:06:38,027 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,027 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,027 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:38,027 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,027 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,027 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,030 - INFO - number of orbitals:  69
-2024-12-04 10:06:38,030 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,030 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,030 - INFO - moving on ...
-2024-12-04 10:06:38,030 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:38,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,031 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,031 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,033 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,033 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,033 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 10:06:38,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 10:06:38,033 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 10:06:38,044 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,045 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,045 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:38,045 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,045 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,045 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,047 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,047 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,047 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-04 10:06:38,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-04 10:06:38,047 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-04 10:06:38,058 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,058 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,058 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:38,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,060 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,060 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,060 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 10:06:38,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 10:06:38,060 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 10:06:38,071 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,071 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,071 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:38,072 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,072 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,072 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,074 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,074 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,074 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-04 10:06:38,074 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-04 10:06:38,074 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-04 10:06:38,084 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,085 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,085 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:38,085 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,085 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,085 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,087 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,087 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,087 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 10:06:38,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 10:06:38,087 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 10:06:38,098 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,098 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,098 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:38,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,100 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,100 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,100 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-04 10:06:38,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-04 10:06:38,100 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-04 10:06:38,110 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,111 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,111 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:38,111 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,111 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,111 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,113 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,113 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,113 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 10:06:38,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 10:06:38,113 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 10:06:38,123 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,124 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,124 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:38,124 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,124 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,124 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,126 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,126 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,126 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-04 10:06:38,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-04 10:06:38,126 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-04 10:06:38,136 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,136 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,136 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:38,136 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:38,136 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:38,136 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,136 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:38,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,138 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,138 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,138 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-04 10:06:38,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-04 10:06:38,138 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-04 10:06:38,147 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,148 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,148 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-04 10:06:38,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-04 10:06:38,148 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,148 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:38,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,149 - INFO - number of orbitals:  88
-2024-12-04 10:06:38,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,149 - INFO - moving on ...
-2024-12-04 10:06:38,149 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:38,149 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:38,150 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:38,150 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,150 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:38,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,151 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,151 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,151 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:38,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:38,151 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:38,161 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,161 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,161 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:38,162 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:38,162 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:38,162 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,162 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:38,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,163 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,163 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,163 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-04 10:06:38,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-04 10:06:38,163 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-04 10:06:38,173 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,174 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,174 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-04 10:06:38,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-04 10:06:38,174 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,174 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:38,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,175 - INFO - number of orbitals:  78
-2024-12-04 10:06:38,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,175 - INFO - moving on ...
-2024-12-04 10:06:38,175 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:38,176 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:38,176 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:38,176 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,176 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:38,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,177 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,177 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,177 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 10:06:38,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 10:06:38,177 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 10:06:38,187 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,188 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,188 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 10:06:38,188 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 10:06:38,188 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,188 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:38,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,189 - INFO - number of orbitals:  110
-2024-12-04 10:06:38,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,189 - INFO - moving on ...
-2024-12-04 10:06:38,189 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:38,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,190 - INFO - number of orbitals:  60
-2024-12-04 10:06:38,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,191 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,191 - INFO - moving on ...
-2024-12-04 10:06:38,191 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:38,191 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:38,191 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:38,191 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,191 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:38,191 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,191 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,191 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,193 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,193 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,193 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:38,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:38,193 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:38,203 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,203 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,203 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:38,203 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,203 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,203 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,205 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,205 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,205 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 10:06:38,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 10:06:38,205 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 10:06:38,216 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,216 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,216 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:38,216 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,216 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,216 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,218 - INFO - number of orbitals:  68
-2024-12-04 10:06:38,218 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,218 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,218 - INFO - moving on ...
-2024-12-04 10:06:38,218 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:38,218 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,218 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,218 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,220 - INFO - number of orbitals:  76
-2024-12-04 10:06:38,220 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,220 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,220 - INFO - moving on ...
-2024-12-04 10:06:38,220 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:38,220 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,221 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,221 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,222 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,222 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,222 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:38,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:38,222 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:38,233 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,233 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,233 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:38,233 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,233 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,233 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,235 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,235 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,235 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 10:06:38,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 10:06:38,235 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 10:06:38,246 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,246 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,246 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:38,246 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,247 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,247 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,248 - INFO - number of orbitals:  68
-2024-12-04 10:06:38,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,249 - INFO - moving on ...
-2024-12-04 10:06:38,249 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:38,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,251 - INFO - number of orbitals:  76
-2024-12-04 10:06:38,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,251 - INFO - moving on ...
-2024-12-04 10:06:38,251 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:38,251 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,251 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,251 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,252 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,252 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,252 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:38,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:38,253 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:38,262 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,263 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,263 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:38,263 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,263 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,263 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,264 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,265 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,265 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 10:06:38,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 10:06:38,265 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 10:06:38,274 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,275 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,275 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:38,275 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,275 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,275 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,276 - INFO - number of orbitals:  68
-2024-12-04 10:06:38,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,277 - INFO - moving on ...
-2024-12-04 10:06:38,277 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:38,277 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,277 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,277 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,278 - INFO - number of orbitals:  76
-2024-12-04 10:06:38,278 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,278 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,278 - INFO - moving on ...
-2024-12-04 10:06:38,278 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:38,279 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:38,279 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:38,279 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,279 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:38,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,280 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,280 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,280 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-04 10:06:38,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-04 10:06:38,280 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-04 10:06:38,290 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,290 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,290 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-04 10:06:38,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-04 10:06:38,290 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,290 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:38,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,292 - INFO - number of orbitals:  135
-2024-12-04 10:06:38,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,292 - INFO - moving on ...
-2024-12-04 10:06:38,292 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:38,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,293 - INFO - number of orbitals:  88
-2024-12-04 10:06:38,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,293 - INFO - moving on ...
-2024-12-04 10:06:38,293 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:38,293 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:38,293 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:38,293 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,294 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:38,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,295 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,295 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,295 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-04 10:06:38,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-04 10:06:38,295 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-04 10:06:38,305 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,305 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,305 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-04 10:06:38,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-04 10:06:38,305 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,305 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:38,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,306 - INFO - number of orbitals:  88
-2024-12-04 10:06:38,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,306 - INFO - moving on ...
-2024-12-04 10:06:38,307 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:38,307 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:38,307 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:38,307 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,307 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:38,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,308 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,308 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,308 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 10:06:38,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 10:06:38,308 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 10:06:38,318 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,318 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,318 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 10:06:38,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 10:06:38,318 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,318 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:38,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,320 - INFO - number of orbitals:  115
-2024-12-04 10:06:38,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,320 - INFO - moving on ...
-2024-12-04 10:06:38,320 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:38,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,321 - INFO - number of orbitals:  58
-2024-12-04 10:06:38,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,321 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,321 - INFO - moving on ...
-2024-12-04 10:06:38,321 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:38,321 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:38,321 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:38,322 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,322 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:38,322 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,322 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,322 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,323 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,323 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,323 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-04 10:06:38,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-04 10:06:38,323 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-04 10:06:38,333 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,334 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,334 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:38,334 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,334 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,334 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,336 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,336 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,336 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-04 10:06:38,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-04 10:06:38,336 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-04 10:06:38,346 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,346 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,346 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:38,346 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,347 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,347 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,348 - INFO - number of orbitals:  58
-2024-12-04 10:06:38,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,348 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,348 - INFO - moving on ...
-2024-12-04 10:06:38,348 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:38,348 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,349 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,349 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,350 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,350 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,350 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-04 10:06:38,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-04 10:06:38,350 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-04 10:06:38,361 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,361 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,361 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:38,361 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,361 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,361 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,363 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,363 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,363 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-04 10:06:38,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-04 10:06:38,364 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-04 10:06:38,374 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,375 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,375 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:38,375 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,375 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,375 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,377 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,377 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,377 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-04 10:06:38,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-04 10:06:38,377 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-04 10:06:38,387 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,387 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,388 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:38,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,389 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,390 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,390 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-04 10:06:38,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-04 10:06:38,390 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-04 10:06:38,399 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,400 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,400 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:38,400 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,400 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,400 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,402 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,402 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,402 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-04 10:06:38,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-04 10:06:38,402 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-04 10:06:38,411 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,412 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,412 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:38,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,414 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,414 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,414 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-04 10:06:38,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-04 10:06:38,414 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-04 10:06:38,424 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,424 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,424 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:38,424 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:38,424 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:38,424 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,424 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:38,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,426 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,426 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,426 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 10:06:38,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 10:06:38,426 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 10:06:38,436 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,436 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,436 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:38,436 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:38,437 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:38,437 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,437 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:38,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,438 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,438 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,438 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 10:06:38,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 10:06:38,438 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 10:06:38,448 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,448 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,448 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 10:06:38,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 10:06:38,448 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,448 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:38,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,450 - INFO - number of orbitals:  110
-2024-12-04 10:06:38,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,450 - INFO - moving on ...
-2024-12-04 10:06:38,450 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:38,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,451 - INFO - number of orbitals:  60
-2024-12-04 10:06:38,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,451 - INFO - moving on ...
-2024-12-04 10:06:38,451 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:38,451 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:38,451 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:38,451 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,452 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:38,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,453 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,453 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,453 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-04 10:06:38,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-04 10:06:38,453 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-04 10:06:38,463 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,463 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,463 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-04 10:06:38,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-04 10:06:38,463 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,463 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:38,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,464 - INFO - number of orbitals:  94
-2024-12-04 10:06:38,464 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,464 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,464 - INFO - moving on ...
-2024-12-04 10:06:38,464 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:38,465 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:38,465 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:38,465 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,465 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:38,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,466 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,466 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,466 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-04 10:06:38,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-04 10:06:38,466 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-04 10:06:38,475 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,475 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,475 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-04 10:06:38,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-04 10:06:38,475 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,476 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:38,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,477 - INFO - number of orbitals:  88
-2024-12-04 10:06:38,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,477 - INFO - moving on ...
-2024-12-04 10:06:38,477 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:38,477 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:38,477 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:38,477 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,477 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:38,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,478 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,478 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,478 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-04 10:06:38,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-04 10:06:38,478 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-04 10:06:38,488 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,488 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,488 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-04 10:06:38,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-04 10:06:38,488 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,488 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:38,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,489 - INFO - number of orbitals:  88
-2024-12-04 10:06:38,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,490 - INFO - moving on ...
-2024-12-04 10:06:38,490 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:38,490 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:38,490 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:38,490 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,490 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:38,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,491 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,491 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,491 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 10:06:38,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 10:06:38,491 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 10:06:38,501 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,501 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,501 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 10:06:38,501 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 10:06:38,501 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,501 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:38,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,502 - INFO - number of orbitals:  118
-2024-12-04 10:06:38,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,502 - INFO - moving on ...
-2024-12-04 10:06:38,503 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:38,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,504 - INFO - number of orbitals:  68
-2024-12-04 10:06:38,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,504 - INFO - moving on ...
-2024-12-04 10:06:38,504 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:38,504 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:38,504 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:38,504 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,504 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:38,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,505 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,505 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,505 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:38,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:38,505 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:38,515 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,515 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,515 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:38,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:38,515 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,515 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:38,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,516 - INFO - number of orbitals:  85
-2024-12-04 10:06:38,516 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,516 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,516 - INFO - moving on ...
-2024-12-04 10:06:38,517 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:38,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,518 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,518 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,518 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-04 10:06:38,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-04 10:06:38,518 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-04 10:06:38,528 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,528 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,528 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-04 10:06:38,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-04 10:06:38,528 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,528 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:38,528 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:38,528 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:38,528 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,528 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:38,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,530 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,530 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,530 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:38,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:38,530 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:38,540 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,540 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,540 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:38,540 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:38,540 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:38,540 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,540 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:38,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,542 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,542 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,542 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:38,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:38,542 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:38,552 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,552 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,552 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:38,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:38,552 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,552 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:38,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,553 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,553 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,553 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-04 10:06:38,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-04 10:06:38,554 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-04 10:06:38,563 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,564 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,564 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-04 10:06:38,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-04 10:06:38,564 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,564 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:38,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,565 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,565 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,565 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 10:06:38,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 10:06:38,565 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 10:06:38,575 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,576 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,576 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 10:06:38,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 10:06:38,576 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,576 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:38,576 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:38,576 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:38,576 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,576 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:38,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,577 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,577 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,577 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 10:06:38,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 10:06:38,578 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 10:06:38,587 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,587 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,587 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 10:06:38,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 10:06:38,587 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,588 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:38,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,589 - INFO - number of orbitals:  110
-2024-12-04 10:06:38,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,589 - INFO - moving on ...
-2024-12-04 10:06:38,589 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:38,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,590 - INFO - number of orbitals:  60
-2024-12-04 10:06:38,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,590 - INFO - moving on ...
-2024-12-04 10:06:38,590 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:38,590 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:38,590 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:38,590 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,590 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:38,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,591 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,591 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,591 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 10:06:38,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 10:06:38,591 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 10:06:38,601 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,601 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,601 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 10:06:38,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 10:06:38,601 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,601 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:38,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,602 - INFO - number of orbitals:  119
-2024-12-04 10:06:38,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,603 - INFO - moving on ...
-2024-12-04 10:06:38,603 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:38,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,604 - INFO - number of orbitals:  62
-2024-12-04 10:06:38,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,604 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,604 - INFO - moving on ...
-2024-12-04 10:06:38,604 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:38,604 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:38,604 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:38,604 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,604 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:38,604 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,604 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,604 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,606 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,606 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,606 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:38,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:38,606 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:38,616 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,616 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,616 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:38,616 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,618 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,618 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,618 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:38,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:38,618 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:38,628 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,629 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,629 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:38,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,631 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,631 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,631 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 10:06:38,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 10:06:38,631 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 10:06:38,640 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,641 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,641 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:38,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,643 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,643 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,643 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-04 10:06:38,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-04 10:06:38,643 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-04 10:06:38,655 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,656 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,656 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:38,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,659 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,659 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,659 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:38,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:38,659 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:38,674 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,674 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,674 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:38,674 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,674 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,674 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,676 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,676 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,676 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:38,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:38,676 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:38,686 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,686 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,686 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:38,686 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,686 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,686 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,688 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,688 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,688 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 10:06:38,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 10:06:38,688 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 10:06:38,699 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,699 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,699 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:38,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,699 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,699 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,701 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,701 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,701 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-04 10:06:38,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-04 10:06:38,701 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-04 10:06:38,712 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,712 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,712 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:38,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,714 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,714 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,714 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:38,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:38,714 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:38,725 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,725 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,725 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:38,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,727 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,727 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,727 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 10:06:38,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 10:06:38,727 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 10:06:38,737 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,737 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,737 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:38,737 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,738 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,738 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,739 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,739 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,739 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 10:06:38,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 10:06:38,740 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 10:06:38,750 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,750 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,750 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:38,750 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,750 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,750 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,752 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,752 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,752 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-04 10:06:38,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-04 10:06:38,752 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-04 10:06:38,762 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,763 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,763 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:38,763 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:38,763 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:38,763 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,763 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:38,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,764 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,764 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,764 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:38,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:38,764 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:38,775 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,776 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,776 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:38,776 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:38,776 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:38,776 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,776 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:38,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,777 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,777 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,778 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-04 10:06:38,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-04 10:06:38,778 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-04 10:06:38,788 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,788 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,788 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-04 10:06:38,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-04 10:06:38,788 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,788 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:38,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,789 - INFO - number of orbitals:  88
-2024-12-04 10:06:38,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-04 10:06:38,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,790 - INFO - moving on ...
-2024-12-04 10:06:38,790 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:38,790 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:38,790 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:38,790 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,790 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:38,790 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,790 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,790 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,792 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,792 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,792 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:38,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:38,792 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:38,802 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,802 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,802 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:38,802 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,802 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,802 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,804 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,804 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,804 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:38,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:38,804 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:38,814 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,815 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,815 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:38,815 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,815 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,815 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,817 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,817 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,817 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:38,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:38,817 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:38,827 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,827 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,827 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:38,827 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,827 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,827 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,828 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,829 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,829 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,829 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:38,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:38,829 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:38,839 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,839 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,840 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:38,840 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,840 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,840 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,842 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,842 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,842 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 10:06:38,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 10:06:38,842 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 10:06:38,853 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,853 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,853 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:38,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,855 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,855 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,855 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 10:06:38,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 10:06:38,855 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 10:06:38,866 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,867 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,867 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:38,867 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,867 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,867 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,869 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,869 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,869 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-04 10:06:38,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-04 10:06:38,869 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-04 10:06:38,880 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,880 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,880 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:38,880 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,880 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,880 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,882 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,883 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,883 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 10:06:38,883 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 10:06:38,883 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 10:06:38,894 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,894 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,894 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:38,894 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:38,895 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:38,895 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:38,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,897 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,897 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,897 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-04 10:06:38,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-04 10:06:38,897 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-04 10:06:38,909 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,910 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,910 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:38,910 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:38,910 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:38,910 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,910 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:38,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,912 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,912 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,912 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-04 10:06:38,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-04 10:06:38,912 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-04 10:06:38,924 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,925 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,925 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-04 10:06:38,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-04 10:06:38,925 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,925 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:38,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,927 - INFO - number of orbitals:  118
-2024-12-04 10:06:38,927 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:38,927 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,927 - INFO - moving on ...
-2024-12-04 10:06:38,927 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:38,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,929 - INFO - number of orbitals:  68
-2024-12-04 10:06:38,929 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:38,929 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,929 - INFO - moving on ...
-2024-12-04 10:06:38,929 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:38,929 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:38,929 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:38,929 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,929 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:38,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,931 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,931 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,931 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-04 10:06:38,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-04 10:06:38,931 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-04 10:06:38,943 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,944 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,944 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-04 10:06:38,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-04 10:06:38,944 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,944 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:38,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,946 - INFO - number of orbitals:  88
-2024-12-04 10:06:38,946 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:38,946 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,946 - INFO - moving on ...
-2024-12-04 10:06:38,946 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:38,946 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:38,946 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:38,947 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,947 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:38,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,948 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,948 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,948 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 10:06:38,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 10:06:38,948 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 10:06:38,960 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,960 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,960 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 10:06:38,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 10:06:38,960 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,960 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:38,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,962 - INFO - number of orbitals:  64
-2024-12-04 10:06:38,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:38,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,962 - INFO - moving on ...
-2024-12-04 10:06:38,962 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:38,962 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:38,962 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:38,962 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,962 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:38,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,963 - INFO - number of orbitals:  76
-2024-12-04 10:06:38,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:38,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,964 - INFO - moving on ...
-2024-12-04 10:06:38,964 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:38,964 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:38,964 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:38,964 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,964 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:38,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,965 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,965 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,965 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 10:06:38,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 10:06:38,965 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 10:06:38,976 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,976 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,976 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:38,976 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:38,977 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:38,977 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,977 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:38,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,978 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,978 - INFO - number of supporting files: 2
-2024-12-04 10:06:38,978 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-04 10:06:38,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-04 10:06:38,978 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-04 10:06:38,989 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:38,989 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-04 10:06:38,989 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-04 10:06:38,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-04 10:06:38,989 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:38,989 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:38,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,991 - INFO - number of orbitals:  88
-2024-12-04 10:06:38,991 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:38,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:38,991 - INFO - moving on ...
-2024-12-04 10:06:38,991 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:38,991 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:38,991 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:38,991 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:38,991 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:38,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:38,992 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:38,992 - INFO - number of supporting files: 1
-2024-12-04 10:06:38,992 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 10:06:38,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 10:06:38,992 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 10:06:39,004 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,004 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,004 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:39,004 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:39,004 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:39,004 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,004 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:39,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,006 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,006 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,006 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-04 10:06:39,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-04 10:06:39,006 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-04 10:06:39,016 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,017 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,017 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-04 10:06:39,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-04 10:06:39,017 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,017 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:39,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,018 - INFO - number of orbitals:  106
-2024-12-04 10:06:39,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,018 - INFO - moving on ...
-2024-12-04 10:06:39,018 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:39,019 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:39,019 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:39,019 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,019 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:39,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,020 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,020 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,020 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-04 10:06:39,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-04 10:06:39,020 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-04 10:06:39,031 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,031 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,031 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-04 10:06:39,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-04 10:06:39,032 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,032 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:39,033 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,033 - INFO - number of orbitals:  78
-2024-12-04 10:06:39,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,033 - INFO - moving on ...
-2024-12-04 10:06:39,033 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:39,033 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:39,033 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:39,033 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,033 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:39,034 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,034 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,034 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,035 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,035 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,035 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-04 10:06:39,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-04 10:06:39,035 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-04 10:06:39,045 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,045 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,046 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:39,046 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,046 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,046 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,047 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,047 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,047 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:39,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:39,048 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:39,058 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,058 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,058 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:39,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,060 - INFO - number of orbitals:  90
-2024-12-04 10:06:39,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,060 - INFO - moving on ...
-2024-12-04 10:06:39,060 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:39,060 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,060 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,060 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,062 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,062 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,062 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-04 10:06:39,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-04 10:06:39,062 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-04 10:06:39,072 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,073 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,073 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:39,073 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,073 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,073 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,074 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,075 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,075 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,075 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:39,075 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:39,075 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:39,085 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,085 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,086 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:39,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,086 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,087 - INFO - number of orbitals:  90
-2024-12-04 10:06:39,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,088 - INFO - moving on ...
-2024-12-04 10:06:39,088 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:39,088 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:39,088 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:39,088 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,088 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:39,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,089 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,089 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,089 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 10:06:39,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 10:06:39,089 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 10:06:39,100 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,100 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,100 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 10:06:39,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 10:06:39,100 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,100 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:39,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,102 - INFO - number of orbitals:  115
-2024-12-04 10:06:39,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,102 - INFO - moving on ...
-2024-12-04 10:06:39,102 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:39,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,103 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,103 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,103 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-04 10:06:39,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-04 10:06:39,103 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-04 10:06:39,114 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,114 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,114 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-04 10:06:39,114 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-04 10:06:39,114 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,114 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:39,114 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:39,114 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:39,114 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,115 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:39,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,116 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,116 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,116 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 10:06:39,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 10:06:39,116 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 10:06:39,127 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,127 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,127 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 10:06:39,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 10:06:39,127 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,127 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:39,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,129 - INFO - number of orbitals:  110
-2024-12-04 10:06:39,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,129 - INFO - moving on ...
-2024-12-04 10:06:39,129 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:39,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,130 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,130 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,130 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-04 10:06:39,130 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-04 10:06:39,131 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-04 10:06:39,141 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,141 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,141 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-04 10:06:39,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-04 10:06:39,141 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,141 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:39,141 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:39,141 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:39,141 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,141 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:39,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,143 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,143 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,143 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-04 10:06:39,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-04 10:06:39,143 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-04 10:06:39,154 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,154 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,154 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-04 10:06:39,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-04 10:06:39,154 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,154 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:39,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,156 - INFO - number of orbitals:  88
-2024-12-04 10:06:39,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,156 - INFO - moving on ...
-2024-12-04 10:06:39,156 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:39,156 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:39,156 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:39,156 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,156 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:39,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,157 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,157 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,157 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:39,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:39,157 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:39,168 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,168 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,168 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:39,168 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:39,168 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:39,168 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,169 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:39,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,170 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,170 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,170 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-04 10:06:39,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-04 10:06:39,170 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-04 10:06:39,181 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,181 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,181 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-04 10:06:39,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-04 10:06:39,181 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,181 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:39,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,182 - INFO - number of orbitals:  88
-2024-12-04 10:06:39,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,183 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,183 - INFO - moving on ...
-2024-12-04 10:06:39,183 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:39,183 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:39,183 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:39,183 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,183 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:39,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,184 - INFO - number of orbitals:  76
-2024-12-04 10:06:39,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,184 - INFO - moving on ...
-2024-12-04 10:06:39,184 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:39,184 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:39,184 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:39,184 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,184 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:39,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,186 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,186 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,186 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 10:06:39,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 10:06:39,186 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 10:06:39,196 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,196 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,196 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 10:06:39,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 10:06:39,196 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,196 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:39,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,198 - INFO - number of orbitals:  119
-2024-12-04 10:06:39,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,198 - INFO - moving on ...
-2024-12-04 10:06:39,198 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:39,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,199 - INFO - number of orbitals:  62
-2024-12-04 10:06:39,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,199 - INFO - moving on ...
-2024-12-04 10:06:39,199 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:39,199 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:39,199 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:39,199 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,199 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:39,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,201 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,201 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,201 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:39,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:39,201 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:39,211 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,211 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,211 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:39,211 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:39,212 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:39,212 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,212 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:39,212 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,212 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,212 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,214 - INFO - number of orbitals:  69
-2024-12-04 10:06:39,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,214 - INFO - moving on ...
-2024-12-04 10:06:39,214 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:39,214 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,216 - INFO - number of orbitals:  70
-2024-12-04 10:06:39,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,216 - INFO - moving on ...
-2024-12-04 10:06:39,216 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:39,216 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,216 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,216 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,217 - INFO - number of orbitals:  69
-2024-12-04 10:06:39,217 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,217 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,217 - INFO - moving on ...
-2024-12-04 10:06:39,217 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:39,218 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:39,218 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:39,218 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,218 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:39,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,219 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,219 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,219 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-04 10:06:39,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-04 10:06:39,219 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-04 10:06:39,229 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,230 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,230 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-04 10:06:39,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-04 10:06:39,230 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,230 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:39,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,231 - INFO - number of orbitals:  135
-2024-12-04 10:06:39,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,231 - INFO - moving on ...
-2024-12-04 10:06:39,231 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:39,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,233 - INFO - number of orbitals:  88
-2024-12-04 10:06:39,233 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,233 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,233 - INFO - moving on ...
-2024-12-04 10:06:39,233 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:39,233 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:39,233 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:39,233 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,233 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:39,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,234 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,234 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,234 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 10:06:39,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 10:06:39,234 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 10:06:39,245 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,246 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,246 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 10:06:39,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 10:06:39,246 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,246 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:39,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,247 - INFO - number of orbitals:  89
-2024-12-04 10:06:39,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,247 - INFO - moving on ...
-2024-12-04 10:06:39,247 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:39,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,248 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,248 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,248 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-04 10:06:39,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-04 10:06:39,249 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-04 10:06:39,259 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,259 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,259 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-04 10:06:39,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-04 10:06:39,259 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,259 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:39,259 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:39,259 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:39,260 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,260 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:39,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,261 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,261 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,261 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-04 10:06:39,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-04 10:06:39,261 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-04 10:06:39,272 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,272 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,272 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-04 10:06:39,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-04 10:06:39,272 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,272 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:39,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,273 - INFO - number of orbitals:  88
-2024-12-04 10:06:39,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,274 - INFO - moving on ...
-2024-12-04 10:06:39,274 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:39,274 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:39,274 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:39,274 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,274 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:39,274 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,274 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,274 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,276 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,276 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,276 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-04 10:06:39,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-04 10:06:39,276 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-04 10:06:39,286 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,287 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,287 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:39,287 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,287 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,287 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,289 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,289 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,289 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-04 10:06:39,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-04 10:06:39,289 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-04 10:06:39,299 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,300 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,300 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:39,300 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,300 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,300 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,302 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,302 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,302 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-04 10:06:39,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-04 10:06:39,302 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-04 10:06:39,312 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,313 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,313 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:39,313 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,313 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,313 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,315 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,315 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,315 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-04 10:06:39,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-04 10:06:39,315 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-04 10:06:39,325 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,326 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,326 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:39,326 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,326 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,326 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,328 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,328 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,328 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-04 10:06:39,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-04 10:06:39,328 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-04 10:06:39,339 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,339 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,339 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:39,339 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,339 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,339 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,341 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,341 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,341 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-04 10:06:39,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-04 10:06:39,341 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-04 10:06:39,352 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,352 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,352 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:39,352 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,352 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,352 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,354 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,354 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,354 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-04 10:06:39,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-04 10:06:39,354 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-04 10:06:39,365 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,365 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,365 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:39,365 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,365 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,365 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,367 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,367 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,367 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-04 10:06:39,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-04 10:06:39,367 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-04 10:06:39,378 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,378 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,378 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:39,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,380 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,380 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,380 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-04 10:06:39,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-04 10:06:39,380 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-04 10:06:39,391 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,391 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,391 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:39,392 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:39,392 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:39,392 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,392 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:39,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,393 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,393 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,393 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 10:06:39,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 10:06:39,394 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 10:06:39,404 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,404 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,404 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 10:06:39,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 10:06:39,404 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,404 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:39,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,406 - INFO - number of orbitals:  110
-2024-12-04 10:06:39,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,406 - INFO - moving on ...
-2024-12-04 10:06:39,406 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:39,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,407 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,407 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,407 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-04 10:06:39,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-04 10:06:39,407 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-04 10:06:39,417 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,418 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,418 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-04 10:06:39,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-04 10:06:39,418 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,418 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:39,418 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:39,418 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:39,418 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,418 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:39,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,419 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,419 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,420 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-04 10:06:39,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-04 10:06:39,420 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-04 10:06:39,430 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,430 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,430 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-04 10:06:39,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-04 10:06:39,430 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,430 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:39,431 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:39,431 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:39,431 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,431 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:39,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,432 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,432 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,432 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 10:06:39,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 10:06:39,432 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 10:06:39,442 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,442 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,442 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:39,443 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:39,443 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:39,443 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,443 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:39,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,444 - INFO - number of orbitals:  76
-2024-12-04 10:06:39,444 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,444 - INFO - moving on ...
-2024-12-04 10:06:39,444 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:39,444 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:39,444 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:39,444 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,444 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:39,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,446 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,446 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,446 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:39,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:39,446 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:39,457 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,457 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,457 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:39,457 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,457 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,457 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,459 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,459 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,459 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 10:06:39,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 10:06:39,459 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 10:06:39,469 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,469 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,470 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:39,470 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,472 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,472 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,472 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:39,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:39,472 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:39,482 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,483 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,483 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:39,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,485 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,485 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,485 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-04 10:06:39,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-04 10:06:39,485 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-04 10:06:39,495 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,496 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,496 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:39,496 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,496 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,496 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,498 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,498 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,498 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:39,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:39,498 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:39,509 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,509 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,509 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:39,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,509 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,509 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,511 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,511 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,511 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 10:06:39,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 10:06:39,511 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 10:06:39,522 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,522 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,522 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:39,522 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:39,523 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:39,523 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,523 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:39,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,524 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,524 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,524 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 10:06:39,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 10:06:39,524 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 10:06:39,535 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,535 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,535 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 10:06:39,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 10:06:39,535 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,535 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:39,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,537 - INFO - number of orbitals:  86
-2024-12-04 10:06:39,537 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,537 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,537 - INFO - moving on ...
-2024-12-04 10:06:39,537 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:39,537 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:39,537 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:39,537 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,537 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:39,537 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,538 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,538 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,539 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,539 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,539 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:39,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:39,539 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:39,550 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,550 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,550 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:39,550 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,552 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,552 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,552 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 10:06:39,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 10:06:39,553 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 10:06:39,563 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,563 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,563 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:39,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,564 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,565 - INFO - number of orbitals:  68
-2024-12-04 10:06:39,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,566 - INFO - moving on ...
-2024-12-04 10:06:39,566 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:39,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,566 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,566 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,568 - INFO - number of orbitals:  76
-2024-12-04 10:06:39,568 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,568 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,568 - INFO - moving on ...
-2024-12-04 10:06:39,568 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:39,568 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,568 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,569 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,569 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,569 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:39,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:39,570 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:39,580 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,580 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,580 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:39,581 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,581 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,581 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,583 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,583 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,583 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 10:06:39,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 10:06:39,583 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 10:06:39,593 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,594 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,594 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:39,594 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,594 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,594 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,596 - INFO - number of orbitals:  68
-2024-12-04 10:06:39,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,596 - INFO - moving on ...
-2024-12-04 10:06:39,596 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:39,596 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,596 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,596 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,598 - INFO - number of orbitals:  76
-2024-12-04 10:06:39,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,598 - INFO - moving on ...
-2024-12-04 10:06:39,598 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:39,598 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,598 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,598 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,600 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,600 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,600 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:39,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:39,600 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:39,610 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,611 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,611 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:39,611 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,611 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,611 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,613 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,613 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,613 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 10:06:39,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 10:06:39,613 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 10:06:39,624 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,624 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,624 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:39,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,626 - INFO - number of orbitals:  68
-2024-12-04 10:06:39,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,626 - INFO - moving on ...
-2024-12-04 10:06:39,626 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:39,626 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,626 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,627 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,628 - INFO - number of orbitals:  76
-2024-12-04 10:06:39,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,628 - INFO - moving on ...
-2024-12-04 10:06:39,629 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:39,629 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:39,629 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:39,629 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,629 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:39,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,630 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,630 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,630 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-04 10:06:39,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-04 10:06:39,630 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-04 10:06:39,641 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,642 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,642 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-04 10:06:39,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-04 10:06:39,642 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,642 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:39,642 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:39,642 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:39,642 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,642 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:39,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,644 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,644 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,644 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-04 10:06:39,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-04 10:06:39,644 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-04 10:06:39,654 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,654 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,655 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-04 10:06:39,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-04 10:06:39,655 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,655 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:39,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,656 - INFO - number of orbitals:  88
-2024-12-04 10:06:39,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,656 - INFO - moving on ...
-2024-12-04 10:06:39,656 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:39,656 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:39,656 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:39,656 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,657 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:39,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,658 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,658 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,658 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-04 10:06:39,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-04 10:06:39,658 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-04 10:06:39,671 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,671 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,672 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-04 10:06:39,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-04 10:06:39,672 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,672 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:39,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,674 - INFO - number of orbitals:  94
-2024-12-04 10:06:39,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,674 - INFO - moving on ...
-2024-12-04 10:06:39,674 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:39,674 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:39,674 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:39,674 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,674 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:39,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,676 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,676 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,676 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-04 10:06:39,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-04 10:06:39,676 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-04 10:06:39,687 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,687 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,687 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-04 10:06:39,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-04 10:06:39,687 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,687 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:39,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,689 - INFO - number of orbitals:  88
-2024-12-04 10:06:39,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,689 - INFO - moving on ...
-2024-12-04 10:06:39,689 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:39,689 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:39,689 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:39,689 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,689 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:39,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,690 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,690 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,690 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 10:06:39,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 10:06:39,690 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 10:06:39,701 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,701 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,701 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 10:06:39,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 10:06:39,701 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,701 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:39,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,703 - INFO - number of orbitals:  110
-2024-12-04 10:06:39,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,703 - INFO - moving on ...
-2024-12-04 10:06:39,703 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:39,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,704 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,704 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,704 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-04 10:06:39,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-04 10:06:39,705 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-04 10:06:39,715 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,715 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,715 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-04 10:06:39,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-04 10:06:39,715 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,716 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:39,716 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:39,716 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:39,716 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,716 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:39,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,717 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,717 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,717 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-04 10:06:39,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-04 10:06:39,717 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-04 10:06:39,728 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,728 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,728 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-04 10:06:39,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-04 10:06:39,728 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,728 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:39,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,730 - INFO - number of orbitals:  88
-2024-12-04 10:06:39,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,730 - INFO - moving on ...
-2024-12-04 10:06:39,730 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:39,730 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:39,730 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:39,730 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,730 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:39,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,732 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,732 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,732 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 10:06:39,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 10:06:39,732 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 10:06:39,742 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,743 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,743 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 10:06:39,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 10:06:39,743 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,743 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:39,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,744 - INFO - number of orbitals:  118
-2024-12-04 10:06:39,744 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,744 - INFO - moving on ...
-2024-12-04 10:06:39,744 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:39,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,746 - INFO - number of orbitals:  68
-2024-12-04 10:06:39,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,746 - INFO - moving on ...
-2024-12-04 10:06:39,746 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:39,746 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:39,746 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:39,746 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,746 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:39,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,748 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,748 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,748 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:39,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:39,748 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:39,758 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,759 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,759 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:39,759 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,759 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,759 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,761 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,761 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,761 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:39,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:39,761 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:39,771 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,772 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,772 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:39,772 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,772 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,772 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,774 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,774 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,774 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 10:06:39,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 10:06:39,774 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 10:06:39,784 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,785 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,785 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:39,785 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,785 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,785 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,787 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,787 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,787 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-04 10:06:39,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-04 10:06:39,787 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-04 10:06:39,798 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,798 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,798 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:39,798 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,798 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,798 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,800 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,800 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,800 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:39,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:39,800 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:39,811 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,811 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,811 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:39,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,812 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,812 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,814 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,814 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,814 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:39,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:39,814 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:39,824 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,825 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,825 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:39,825 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,825 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,825 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,827 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,827 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,827 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 10:06:39,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 10:06:39,827 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 10:06:39,837 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,838 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,838 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:39,838 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,838 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,838 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,840 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,840 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,840 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-04 10:06:39,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-04 10:06:39,840 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-04 10:06:39,850 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,850 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,851 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:39,851 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,853 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,853 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,853 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:39,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:39,853 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:39,863 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,864 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,864 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:39,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,866 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,866 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,866 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 10:06:39,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 10:06:39,866 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 10:06:39,876 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,877 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,877 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:39,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,879 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,879 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,879 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 10:06:39,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 10:06:39,879 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 10:06:39,890 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,892 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,892 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:39,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:39,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:39,893 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:39,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,895 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,895 - INFO - number of supporting files: 1
-2024-12-04 10:06:39,895 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-04 10:06:39,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-04 10:06:39,895 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-04 10:06:39,907 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,907 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,907 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:39,907 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:39,907 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:39,907 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,907 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:39,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,909 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,909 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,909 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:39,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:39,909 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:39,921 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,921 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,921 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:39,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:39,921 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,921 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:39,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,923 - INFO - number of orbitals:  85
-2024-12-04 10:06:39,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,923 - INFO - moving on ...
-2024-12-04 10:06:39,923 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:39,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,925 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,925 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,925 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-04 10:06:39,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-04 10:06:39,925 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-04 10:06:39,936 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,937 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,937 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-04 10:06:39,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-04 10:06:39,937 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,937 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:39,937 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:39,937 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:39,937 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,937 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:39,938 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,939 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,939 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,939 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-04 10:06:39,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-04 10:06:39,939 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-04 10:06:39,950 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,950 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,950 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-04 10:06:39,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-04 10:06:39,950 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,950 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:39,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,952 - INFO - number of orbitals:  88
-2024-12-04 10:06:39,952 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,952 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,952 - INFO - moving on ...
-2024-12-04 10:06:39,952 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:39,952 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:39,952 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:39,952 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,952 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:39,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,953 - INFO - number of orbitals:  76
-2024-12-04 10:06:39,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,953 - INFO - moving on ...
-2024-12-04 10:06:39,953 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:39,953 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:39,954 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:39,954 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,954 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:39,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,955 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,955 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,955 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 10:06:39,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 10:06:39,955 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 10:06:39,966 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,966 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,966 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 10:06:39,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 10:06:39,966 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,966 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:39,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,968 - INFO - number of orbitals:  79
-2024-12-04 10:06:39,968 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,968 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,968 - INFO - moving on ...
-2024-12-04 10:06:39,968 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:39,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,969 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,969 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,969 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-04 10:06:39,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-04 10:06:39,969 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-04 10:06:39,980 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,980 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,980 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-04 10:06:39,980 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-04 10:06:39,980 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,980 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:39,980 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:39,980 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:39,981 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,981 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:39,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,982 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,982 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,982 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-04 10:06:39,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-04 10:06:39,982 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-04 10:06:39,993 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:39,994 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:39,994 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-04 10:06:39,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-04 10:06:39,994 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:39,994 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:39,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,995 - INFO - number of orbitals:  135
-2024-12-04 10:06:39,995 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,995 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,995 - INFO - moving on ...
-2024-12-04 10:06:39,995 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:39,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,996 - INFO - number of orbitals:  88
-2024-12-04 10:06:39,997 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:39,997 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:39,997 - INFO - moving on ...
-2024-12-04 10:06:39,997 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:39,997 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:39,997 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:39,997 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:39,997 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:39,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:39,998 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:39,998 - INFO - number of supporting files: 2
-2024-12-04 10:06:39,998 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-04 10:06:39,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-04 10:06:39,998 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-04 10:06:40,010 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,010 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,010 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-04 10:06:40,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-04 10:06:40,010 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,010 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:40,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,012 - INFO - number of orbitals:  118
-2024-12-04 10:06:40,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,012 - INFO - moving on ...
-2024-12-04 10:06:40,012 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:40,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,013 - INFO - number of orbitals:  68
-2024-12-04 10:06:40,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,014 - INFO - moving on ...
-2024-12-04 10:06:40,014 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:40,014 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:40,014 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:40,014 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,014 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:40,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,015 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,015 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,015 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 10:06:40,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 10:06:40,015 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 10:06:40,026 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,027 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,027 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 10:06:40,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 10:06:40,027 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,027 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:40,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,028 - INFO - number of orbitals:  110
-2024-12-04 10:06:40,028 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,028 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,028 - INFO - moving on ...
-2024-12-04 10:06:40,028 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:40,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,030 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,030 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,030 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-04 10:06:40,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-04 10:06:40,030 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-04 10:06:40,040 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,040 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,040 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-04 10:06:40,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-04 10:06:40,040 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,040 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:40,040 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:40,040 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:40,041 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,041 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:40,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,042 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,042 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,042 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 10:06:40,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 10:06:40,042 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 10:06:40,052 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,053 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,053 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 10:06:40,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 10:06:40,053 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,053 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:40,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,054 - INFO - number of orbitals:  118
-2024-12-04 10:06:40,054 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,054 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,054 - INFO - moving on ...
-2024-12-04 10:06:40,054 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:40,055 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,056 - INFO - number of orbitals:  68
-2024-12-04 10:06:40,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,056 - INFO - moving on ...
-2024-12-04 10:06:40,056 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:40,056 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:40,056 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:40,056 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,056 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:40,056 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,058 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,058 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,058 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-04 10:06:40,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-04 10:06:40,058 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-04 10:06:40,069 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,069 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,069 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:40,069 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,069 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,069 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,071 - INFO - number of orbitals:  70
-2024-12-04 10:06:40,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,072 - INFO - moving on ...
-2024-12-04 10:06:40,072 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:40,072 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,072 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,072 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,074 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,074 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,074 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-04 10:06:40,074 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-04 10:06:40,074 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-04 10:06:40,085 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,085 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,085 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:40,085 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,085 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,085 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,087 - INFO - number of orbitals:  69
-2024-12-04 10:06:40,087 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,087 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,087 - INFO - moving on ...
-2024-12-04 10:06:40,087 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:40,087 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,089 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,089 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,089 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 10:06:40,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 10:06:40,089 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 10:06:40,101 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,101 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,101 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:40,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,103 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,103 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,104 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-04 10:06:40,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-04 10:06:40,104 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-04 10:06:40,116 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,116 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,116 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:40,116 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,117 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,117 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,119 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,119 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,119 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-04 10:06:40,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-04 10:06:40,119 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-04 10:06:40,130 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,131 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,131 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:40,131 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,131 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,131 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,133 - INFO - number of orbitals:  69
-2024-12-04 10:06:40,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,133 - INFO - moving on ...
-2024-12-04 10:06:40,133 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:40,133 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,133 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,133 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,135 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,135 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,135 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 10:06:40,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 10:06:40,135 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 10:06:40,146 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,146 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,146 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:40,147 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,147 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,147 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,149 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,149 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,149 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-04 10:06:40,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-04 10:06:40,149 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-04 10:06:40,159 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,160 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,160 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:40,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,162 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,162 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,162 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 10:06:40,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 10:06:40,162 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 10:06:40,173 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,173 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,173 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:40,173 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,173 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,174 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,175 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,175 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,175 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-04 10:06:40,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-04 10:06:40,176 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-04 10:06:40,186 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,187 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,187 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:40,187 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,187 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,187 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,189 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,189 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,189 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 10:06:40,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 10:06:40,189 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 10:06:40,200 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,200 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,200 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:40,200 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,200 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,200 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,202 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,202 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,202 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-04 10:06:40,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-04 10:06:40,202 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-04 10:06:40,213 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,214 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,214 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:40,214 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,216 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,216 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,216 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 10:06:40,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 10:06:40,216 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 10:06:40,227 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,227 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,227 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:40,227 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,227 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,227 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,229 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,229 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,229 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-04 10:06:40,229 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-04 10:06:40,229 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-04 10:06:40,240 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,240 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,240 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:40,241 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:40,241 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:40,241 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,241 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:40,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,242 - INFO - number of orbitals:  70
-2024-12-04 10:06:40,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,242 - INFO - moving on ...
-2024-12-04 10:06:40,242 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:40,242 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:40,243 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:40,243 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,243 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:40,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,244 - INFO - number of orbitals:  69
-2024-12-04 10:06:40,244 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,244 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,244 - INFO - moving on ...
-2024-12-04 10:06:40,244 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:40,244 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:40,244 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:40,245 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,245 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:40,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,245 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,245 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,247 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,247 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,247 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:40,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:40,247 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:40,258 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,259 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,259 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:40,259 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,259 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,259 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,261 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,261 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,261 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:40,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:40,261 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:40,271 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,272 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,272 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:40,272 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,272 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,272 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,274 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,274 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,274 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:40,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:40,274 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:40,285 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,285 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,285 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:40,285 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,285 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,285 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,287 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,287 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,287 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:40,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:40,287 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:40,298 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,298 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,298 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:40,298 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,298 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,298 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,300 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,300 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,300 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 10:06:40,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 10:06:40,300 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 10:06:40,310 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,311 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,311 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:40,311 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,311 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,311 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,313 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,313 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,313 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 10:06:40,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 10:06:40,313 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 10:06:40,324 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,324 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,324 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:40,324 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,324 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,324 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,326 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,326 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,326 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-04 10:06:40,326 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-04 10:06:40,326 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-04 10:06:40,337 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,337 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,337 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:40,337 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,337 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,337 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,339 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,339 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,339 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 10:06:40,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 10:06:40,339 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 10:06:40,349 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,349 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,349 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:40,349 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,350 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,350 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,351 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,351 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,351 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-04 10:06:40,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-04 10:06:40,351 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-04 10:06:40,362 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,362 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,362 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:40,362 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:40,362 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:40,362 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,362 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:40,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,364 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,364 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,364 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-04 10:06:40,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-04 10:06:40,364 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-04 10:06:40,374 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,374 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,374 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-04 10:06:40,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-04 10:06:40,374 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,374 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:40,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,376 - INFO - number of orbitals:  116
-2024-12-04 10:06:40,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,376 - INFO - moving on ...
-2024-12-04 10:06:40,376 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:40,376 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:40,376 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:40,376 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,376 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:40,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,377 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,377 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,377 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 10:06:40,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 10:06:40,377 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 10:06:40,388 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,388 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,388 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 10:06:40,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 10:06:40,388 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,388 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:40,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,390 - INFO - number of orbitals:  119
-2024-12-04 10:06:40,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,390 - INFO - moving on ...
-2024-12-04 10:06:40,390 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:40,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,391 - INFO - number of orbitals:  62
-2024-12-04 10:06:40,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,391 - INFO - moving on ...
-2024-12-04 10:06:40,391 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:40,391 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:40,391 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:40,391 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,391 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:40,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,393 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,393 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,393 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:40,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:40,393 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:40,403 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,403 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,404 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:40,404 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:40,404 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:40,404 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,404 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:40,404 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,404 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,404 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,406 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,406 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,406 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:40,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:40,406 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:40,417 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,417 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,418 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:40,418 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,418 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,418 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,420 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,420 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,420 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 10:06:40,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 10:06:40,420 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 10:06:40,436 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,437 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,437 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:40,437 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,437 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,437 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,440 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,440 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,440 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:40,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:40,440 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:40,453 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,454 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,454 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:40,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,454 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,456 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,456 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,456 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 10:06:40,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 10:06:40,456 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 10:06:40,467 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,468 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,468 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:40,468 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,468 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,468 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,470 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,470 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,470 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:40,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:40,470 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:40,481 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,482 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,482 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:40,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,484 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,484 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,484 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 10:06:40,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 10:06:40,484 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 10:06:40,494 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,495 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,495 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:40,495 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,495 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,495 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,497 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,497 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,497 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:40,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:40,497 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:40,508 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,508 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,508 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:40,508 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,508 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,508 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,510 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,510 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,510 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 10:06:40,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 10:06:40,510 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 10:06:40,521 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,521 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,521 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:40,522 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:40,522 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:40,522 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,522 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:40,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,523 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,523 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,523 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:40,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:40,523 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:40,534 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,534 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,534 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:40,535 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:40,535 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:40,535 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,535 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:40,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,536 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,536 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,536 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 10:06:40,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 10:06:40,536 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 10:06:40,547 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,547 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,547 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 10:06:40,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 10:06:40,547 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,547 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:40,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,549 - INFO - number of orbitals:  114
-2024-12-04 10:06:40,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,549 - INFO - moving on ...
-2024-12-04 10:06:40,549 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:40,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,550 - INFO - number of orbitals:  64
-2024-12-04 10:06:40,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,550 - INFO - moving on ...
-2024-12-04 10:06:40,550 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:40,550 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:40,550 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:40,550 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,550 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:40,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,551 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,552 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,552 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-04 10:06:40,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-04 10:06:40,552 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-04 10:06:40,562 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,562 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,562 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-04 10:06:40,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-04 10:06:40,562 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,562 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:40,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,564 - INFO - number of orbitals:  88
-2024-12-04 10:06:40,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,564 - INFO - moving on ...
-2024-12-04 10:06:40,564 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:40,564 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:40,564 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:40,564 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,564 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:40,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,565 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,565 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,565 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 10:06:40,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 10:06:40,565 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 10:06:40,576 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,576 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,576 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 10:06:40,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 10:06:40,576 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,576 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:40,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,578 - INFO - number of orbitals:  79
-2024-12-04 10:06:40,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,578 - INFO - moving on ...
-2024-12-04 10:06:40,578 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:40,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,579 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,579 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,579 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-04 10:06:40,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-04 10:06:40,579 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-04 10:06:40,590 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,590 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,590 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-04 10:06:40,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-04 10:06:40,590 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,590 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:40,591 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:40,591 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:40,591 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,591 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:40,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,592 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,592 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,592 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-04 10:06:40,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-04 10:06:40,592 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-04 10:06:40,603 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,603 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,603 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-04 10:06:40,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-04 10:06:40,603 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,603 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:40,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,605 - INFO - number of orbitals:  88
-2024-12-04 10:06:40,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,605 - INFO - moving on ...
-2024-12-04 10:06:40,605 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:40,605 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:40,605 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:40,605 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,605 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:40,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,606 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,606 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,606 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 10:06:40,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 10:06:40,606 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 10:06:40,616 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,616 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,617 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 10:06:40,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 10:06:40,617 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,617 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:40,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,618 - INFO - number of orbitals:  110
-2024-12-04 10:06:40,618 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,618 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,618 - INFO - moving on ...
-2024-12-04 10:06:40,618 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:40,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,619 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,619 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,619 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-04 10:06:40,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-04 10:06:40,620 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-04 10:06:40,630 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,630 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,630 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-04 10:06:40,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-04 10:06:40,631 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,631 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:40,631 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:40,631 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:40,631 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,631 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:40,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,632 - INFO - number of orbitals:  76
-2024-12-04 10:06:40,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,632 - INFO - moving on ...
-2024-12-04 10:06:40,632 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:40,633 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:40,633 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:40,633 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,633 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:40,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,634 - INFO - number of orbitals:  76
-2024-12-04 10:06:40,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,634 - INFO - moving on ...
-2024-12-04 10:06:40,634 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:40,634 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:40,634 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:40,634 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,634 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:40,634 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,635 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,635 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,636 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,636 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,636 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 10:06:40,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 10:06:40,636 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 10:06:40,647 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,647 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,647 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:40,647 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,649 - INFO - number of orbitals:  108
-2024-12-04 10:06:40,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,649 - INFO - moving on ...
-2024-12-04 10:06:40,649 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:40,650 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:40,650 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:40,650 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,650 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:40,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,651 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,651 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,651 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-04 10:06:40,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-04 10:06:40,651 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-04 10:06:40,662 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,662 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,662 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-04 10:06:40,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-04 10:06:40,662 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,662 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:40,662 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:40,662 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:40,662 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,662 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:40,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,664 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,664 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,664 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-04 10:06:40,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-04 10:06:40,664 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-04 10:06:40,675 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,676 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,676 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-04 10:06:40,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-04 10:06:40,676 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,676 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:40,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,677 - INFO - number of orbitals:  88
-2024-12-04 10:06:40,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,677 - INFO - moving on ...
-2024-12-04 10:06:40,677 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:40,678 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:40,678 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:40,678 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,678 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:40,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,679 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,679 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,679 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-04 10:06:40,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-04 10:06:40,679 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-04 10:06:40,690 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,690 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,690 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-04 10:06:40,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-04 10:06:40,690 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,690 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:40,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,692 - INFO - number of orbitals:  88
-2024-12-04 10:06:40,692 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,692 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,692 - INFO - moving on ...
-2024-12-04 10:06:40,692 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:40,692 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:40,692 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:40,692 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,692 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:40,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,693 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,694 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,694 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 10:06:40,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 10:06:40,694 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 10:06:40,704 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,704 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,704 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 10:06:40,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 10:06:40,704 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,704 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:40,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,706 - INFO - number of orbitals:  72
-2024-12-04 10:06:40,706 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,706 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,706 - INFO - moving on ...
-2024-12-04 10:06:40,706 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:40,706 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:40,706 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:40,706 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,706 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:40,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,707 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,707 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,707 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 10:06:40,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 10:06:40,707 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 10:06:40,718 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,718 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,718 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 10:06:40,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 10:06:40,718 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,718 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:40,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,720 - INFO - number of orbitals:  76
-2024-12-04 10:06:40,720 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,720 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,720 - INFO - moving on ...
-2024-12-04 10:06:40,720 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:40,720 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:40,720 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:40,720 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,720 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:40,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,721 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,721 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,721 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 10:06:40,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 10:06:40,722 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 10:06:40,732 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,733 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,733 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 10:06:40,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 10:06:40,733 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,733 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:40,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,734 - INFO - number of orbitals:  115
-2024-12-04 10:06:40,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,734 - INFO - moving on ...
-2024-12-04 10:06:40,734 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:40,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,735 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,735 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,736 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-04 10:06:40,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-04 10:06:40,736 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-04 10:06:40,746 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,746 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,746 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-04 10:06:40,746 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-04 10:06:40,746 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,746 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:40,747 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:40,747 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:40,747 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,747 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:40,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,748 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,748 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,748 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-04 10:06:40,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-04 10:06:40,748 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-04 10:06:40,759 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,759 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,760 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-04 10:06:40,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-04 10:06:40,760 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,760 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:40,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,761 - INFO - number of orbitals:  135
-2024-12-04 10:06:40,761 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,761 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,761 - INFO - moving on ...
-2024-12-04 10:06:40,761 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:40,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,762 - INFO - number of orbitals:  88
-2024-12-04 10:06:40,763 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,763 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,763 - INFO - moving on ...
-2024-12-04 10:06:40,763 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:40,763 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:40,763 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:40,763 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,763 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:40,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,764 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,764 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,764 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-04 10:06:40,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-04 10:06:40,764 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-04 10:06:40,776 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,777 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,777 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-04 10:06:40,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-04 10:06:40,777 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,777 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:40,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,778 - INFO - number of orbitals:  88
-2024-12-04 10:06:40,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,778 - INFO - moving on ...
-2024-12-04 10:06:40,778 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:40,778 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:40,778 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:40,778 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,778 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:40,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,780 - INFO - number of orbitals:  69
-2024-12-04 10:06:40,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,780 - INFO - moving on ...
-2024-12-04 10:06:40,780 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:40,780 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:40,780 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:40,780 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,780 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:40,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,781 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,781 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,781 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-04 10:06:40,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-04 10:06:40,781 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-04 10:06:40,791 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,791 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,791 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-04 10:06:40,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-04 10:06:40,791 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,791 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:40,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,793 - INFO - number of orbitals:  116
-2024-12-04 10:06:40,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,793 - INFO - moving on ...
-2024-12-04 10:06:40,793 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:40,793 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:40,793 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:40,793 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,793 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:40,793 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,793 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,793 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,795 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,795 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,795 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 10:06:40,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 10:06:40,795 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 10:06:40,805 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,805 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,805 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:40,805 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,806 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,806 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,807 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,807 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,807 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-04 10:06:40,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-04 10:06:40,807 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-04 10:06:40,817 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,818 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,818 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:40,818 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,818 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,818 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,820 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,820 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,820 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-04 10:06:40,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-04 10:06:40,820 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-04 10:06:40,830 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,830 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,830 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:40,830 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:40,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:40,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:40,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,832 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,832 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,832 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 10:06:40,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 10:06:40,833 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 10:06:40,843 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,843 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,843 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:40,843 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:40,843 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:40,843 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,843 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:40,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,845 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,845 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,845 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-04 10:06:40,845 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-04 10:06:40,845 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-04 10:06:40,855 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,855 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,855 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-04 10:06:40,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-04 10:06:40,855 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,856 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:40,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,857 - INFO - number of orbitals:  90
-2024-12-04 10:06:40,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,857 - INFO - moving on ...
-2024-12-04 10:06:40,857 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:40,857 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:40,857 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:40,857 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,857 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:40,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,859 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,859 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,859 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:40,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:40,859 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:40,869 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,869 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,869 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:40,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:40,869 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,869 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:40,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,870 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,871 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,871 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-04 10:06:40,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-04 10:06:40,871 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-04 10:06:40,881 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,881 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,881 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-04 10:06:40,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-04 10:06:40,881 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,881 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:40,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,883 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,883 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,883 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 10:06:40,883 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 10:06:40,883 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 10:06:40,893 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,893 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,893 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 10:06:40,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 10:06:40,894 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,894 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:40,894 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:40,894 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:40,894 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,894 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:40,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,895 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,895 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,895 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 10:06:40,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 10:06:40,895 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 10:06:40,906 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,906 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,906 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 10:06:40,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 10:06:40,906 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,906 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:40,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,907 - INFO - number of orbitals:  74
-2024-12-04 10:06:40,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,908 - INFO - moving on ...
-2024-12-04 10:06:40,908 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:40,908 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:40,908 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:40,908 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,908 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:40,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,909 - INFO - number of orbitals:  76
-2024-12-04 10:06:40,909 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,909 - INFO - moving on ...
-2024-12-04 10:06:40,909 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:40,909 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:40,909 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:40,909 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,909 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:40,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,911 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,911 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,911 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:40,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:40,911 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:40,921 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,922 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,922 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:40,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:40,922 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,922 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:40,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,923 - INFO - number of orbitals:  85
-2024-12-04 10:06:40,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,923 - INFO - moving on ...
-2024-12-04 10:06:40,923 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:40,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,925 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,925 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,925 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-04 10:06:40,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-04 10:06:40,925 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-04 10:06:40,935 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,936 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,936 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-04 10:06:40,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-04 10:06:40,936 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,936 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:40,936 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:40,936 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:40,936 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,936 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:40,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,937 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,937 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,937 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-04 10:06:40,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-04 10:06:40,938 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-04 10:06:40,948 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,948 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,948 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-04 10:06:40,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-04 10:06:40,948 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,948 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:40,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,950 - INFO - number of orbitals:  90
-2024-12-04 10:06:40,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,950 - INFO - moving on ...
-2024-12-04 10:06:40,950 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:40,950 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:40,950 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:40,950 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,950 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:40,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,951 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,951 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,951 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 10:06:40,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 10:06:40,951 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 10:06:40,962 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,962 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,962 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:40,962 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:40,962 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:40,962 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,962 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:40,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,964 - INFO - number of orbitals:  66
-2024-12-04 10:06:40,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-04 10:06:40,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,964 - INFO - moving on ...
-2024-12-04 10:06:40,964 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 10:06:40,964 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 10:06:40,964 - INFO - problem_instance short name: Mn_0
-2024-12-04 10:06:40,964 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,964 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 10:06:40,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,965 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,965 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,965 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-04 10:06:40,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-04 10:06:40,965 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-04 10:06:40,976 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,976 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,976 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-04 10:06:40,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-04 10:06:40,976 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:40,976 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 10:06:40,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,977 - INFO - number of orbitals:  88
-2024-12-04 10:06:40,978 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:40,978 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,978 - INFO - moving on ...
-2024-12-04 10:06:40,978 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 10:06:40,978 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 10:06:40,978 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 10:06:40,978 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,978 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 10:06:40,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,979 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,979 - INFO - number of supporting files: 1
-2024-12-04 10:06:40,979 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 10:06:40,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 10:06:40,979 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 10:06:40,989 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:40,990 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 10:06:40,990 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:40,990 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:40,990 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:40,990 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,990 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:40,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,991 - INFO - number of orbitals:  69
-2024-12-04 10:06:40,991 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:40,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:40,991 - INFO - moving on ...
-2024-12-04 10:06:40,992 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 10:06:40,992 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 10:06:40,992 - INFO - problem_instance short name: c_s_0
-2024-12-04 10:06:40,992 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:40,992 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 10:06:40,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:40,993 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:40,993 - INFO - number of supporting files: 2
-2024-12-04 10:06:40,993 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 10:06:40,993 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 10:06:40,993 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 10:06:41,003 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,004 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,004 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 10:06:41,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 10:06:41,004 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,004 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 10:06:41,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,005 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,005 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,005 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-04 10:06:41,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-04 10:06:41,006 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-04 10:06:41,016 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,016 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,016 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-04 10:06:41,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-04 10:06:41,016 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,016 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-04 10:06:41,017 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-04 10:06:41,017 - INFO - problem_instance short name: p2_0
-2024-12-04 10:06:41,017 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,017 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-04 10:06:41,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,018 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,018 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,018 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-04 10:06:41,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-04 10:06:41,018 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-04 10:06:41,028 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,029 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,029 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-04 10:06:41,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-04 10:06:41,029 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,029 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-04 10:06:41,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,030 - INFO - number of orbitals:  118
-2024-12-04 10:06:41,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,031 - INFO - moving on ...
-2024-12-04 10:06:41,031 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-04 10:06:41,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,032 - INFO - number of orbitals:  68
-2024-12-04 10:06:41,032 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,032 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,032 - INFO - moving on ...
-2024-12-04 10:06:41,032 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 10:06:41,032 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 10:06:41,032 - INFO - problem_instance short name: si_o_0
-2024-12-04 10:06:41,032 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,032 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 10:06:41,033 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,033 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,033 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,033 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 10:06:41,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 10:06:41,034 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 10:06:41,044 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,044 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,044 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 10:06:41,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 10:06:41,045 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,045 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 10:06:41,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,046 - INFO - number of orbitals:  114
-2024-12-04 10:06:41,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,046 - INFO - moving on ...
-2024-12-04 10:06:41,046 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 10:06:41,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,047 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,047 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,047 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-04 10:06:41,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-04 10:06:41,047 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-04 10:06:41,058 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,058 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,058 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-04 10:06:41,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-04 10:06:41,058 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,058 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 10:06:41,058 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 10:06:41,058 - INFO - problem_instance short name: Cr_1
-2024-12-04 10:06:41,058 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,058 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 10:06:41,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,060 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,060 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,060 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-04 10:06:41,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-04 10:06:41,060 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-04 10:06:41,071 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,071 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,072 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-04 10:06:41,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-04 10:06:41,072 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,072 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 10:06:41,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,073 - INFO - number of orbitals:  135
-2024-12-04 10:06:41,073 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,073 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,073 - INFO - moving on ...
-2024-12-04 10:06:41,073 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 10:06:41,074 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,074 - INFO - number of orbitals:  88
-2024-12-04 10:06:41,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,074 - INFO - moving on ...
-2024-12-04 10:06:41,074 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 10:06:41,075 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 10:06:41,075 - INFO - problem_instance short name: V_0
-2024-12-04 10:06:41,075 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,075 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 10:06:41,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,076 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,076 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,076 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-04 10:06:41,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-04 10:06:41,076 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-04 10:06:41,086 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,087 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,087 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-04 10:06:41,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-04 10:06:41,087 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,087 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 10:06:41,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,088 - INFO - number of orbitals:  88
-2024-12-04 10:06:41,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,088 - INFO - moving on ...
-2024-12-04 10:06:41,088 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 10:06:41,088 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 10:06:41,088 - INFO - problem_instance short name: Fe_1
-2024-12-04 10:06:41,088 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,088 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 10:06:41,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,090 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,090 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,090 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-04 10:06:41,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-04 10:06:41,090 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-04 10:06:41,100 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,100 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,100 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-04 10:06:41,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-04 10:06:41,100 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,100 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 10:06:41,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,102 - INFO - number of orbitals:  88
-2024-12-04 10:06:41,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,102 - INFO - moving on ...
-2024-12-04 10:06:41,102 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 10:06:41,102 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 10:06:41,102 - INFO - problem_instance short name: n_h3_0
-2024-12-04 10:06:41,102 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,102 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 10:06:41,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,104 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,104 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,104 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 10:06:41,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 10:06:41,104 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 10:06:41,114 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,114 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,115 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 10:06:41,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 10:06:41,115 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,115 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 10:06:41,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,116 - INFO - number of orbitals:  72
-2024-12-04 10:06:41,116 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,116 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,116 - INFO - moving on ...
-2024-12-04 10:06:41,116 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 10:06:41,116 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 10:06:41,116 - INFO - problem_instance short name: h2_s_0
-2024-12-04 10:06:41,116 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,116 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 10:06:41,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,118 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,118 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,118 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 10:06:41,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 10:06:41,118 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 10:06:41,128 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,128 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,128 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 10:06:41,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 10:06:41,129 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,129 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 10:06:41,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,130 - INFO - number of orbitals:  119
-2024-12-04 10:06:41,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,130 - INFO - moving on ...
-2024-12-04 10:06:41,130 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 10:06:41,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,131 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,132 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,132 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-04 10:06:41,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-04 10:06:41,132 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-04 10:06:41,142 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,142 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,142 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-04 10:06:41,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-04 10:06:41,142 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,142 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 10:06:41,142 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 10:06:41,143 - INFO - problem_instance short name: na_cl_0
-2024-12-04 10:06:41,143 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,143 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 10:06:41,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,144 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,144 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,144 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 10:06:41,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 10:06:41,144 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 10:06:41,154 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,154 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,154 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 10:06:41,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 10:06:41,155 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,155 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 10:06:41,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,156 - INFO - number of orbitals:  118
-2024-12-04 10:06:41,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,156 - INFO - moving on ...
-2024-12-04 10:06:41,156 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 10:06:41,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,157 - INFO - number of orbitals:  68
-2024-12-04 10:06:41,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,157 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,157 - INFO - moving on ...
-2024-12-04 10:06:41,157 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 10:06:41,157 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 10:06:41,157 - INFO - problem_instance short name: h2_o_0
-2024-12-04 10:06:41,157 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,158 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 10:06:41,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,159 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,159 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,159 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 10:06:41,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 10:06:41,159 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 10:06:41,169 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,170 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,170 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 10:06:41,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 10:06:41,170 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,170 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 10:06:41,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,171 - INFO - number of orbitals:  115
-2024-12-04 10:06:41,171 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,171 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,171 - INFO - moving on ...
-2024-12-04 10:06:41,171 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 10:06:41,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,173 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,173 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,173 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-04 10:06:41,173 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-04 10:06:41,173 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-04 10:06:41,183 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,184 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,184 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-04 10:06:41,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-04 10:06:41,184 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,184 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 10:06:41,184 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 10:06:41,184 - INFO - problem_instance short name: mo_n2
-2024-12-04 10:06:41,184 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,184 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 10:06:41,184 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,184 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,184 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,186 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,186 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,187 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 10:06:41,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 10:06:41,187 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 10:06:41,198 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,198 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,198 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 10:06:41,198 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,198 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,198 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,200 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,200 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,200 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-04 10:06:41,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-04 10:06:41,200 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-04 10:06:41,211 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,211 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,211 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 10:06:41,211 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,211 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,211 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,213 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,213 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,213 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-04 10:06:41,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-04 10:06:41,213 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-04 10:06:41,224 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,224 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,224 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 10:06:41,224 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,224 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,224 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,226 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,226 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,226 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 10:06:41,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 10:06:41,226 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 10:06:41,237 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,238 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,238 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-04 10:06:41,238 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-04 10:06:41,238 - INFO - problem_instance short name: FeO_0
-2024-12-04 10:06:41,238 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,238 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-04 10:06:41,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,239 - INFO - number of orbitals:  76
-2024-12-04 10:06:41,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,239 - INFO - moving on ...
-2024-12-04 10:06:41,239 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 10:06:41,240 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 10:06:41,240 - INFO - problem_instance short name: li2_0
-2024-12-04 10:06:41,240 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,240 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 10:06:41,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,241 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,241 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,241 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 10:06:41,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 10:06:41,241 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 10:06:41,252 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,252 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,252 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 10:06:41,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 10:06:41,252 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,253 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 10:06:41,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,254 - INFO - number of orbitals:  110
-2024-12-04 10:06:41,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,254 - INFO - moving on ...
-2024-12-04 10:06:41,255 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 10:06:41,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,256 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,256 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,256 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-04 10:06:41,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-04 10:06:41,256 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-04 10:06:41,267 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,267 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,267 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-04 10:06:41,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-04 10:06:41,267 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,267 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 10:06:41,267 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 10:06:41,267 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 10:06:41,267 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,267 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 10:06:41,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,269 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,269 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,269 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-04 10:06:41,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-04 10:06:41,269 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-04 10:06:41,280 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,280 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,280 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-04 10:06:41,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-04 10:06:41,280 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,280 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 10:06:41,280 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 10:06:41,280 - INFO - problem_instance short name: MnO_0
-2024-12-04 10:06:41,280 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,280 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 10:06:41,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,282 - INFO - number of orbitals:  76
-2024-12-04 10:06:41,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,282 - INFO - moving on ...
-2024-12-04 10:06:41,282 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 10:06:41,282 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 10:06:41,282 - INFO - problem_instance short name: p_h3_0
-2024-12-04 10:06:41,283 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,283 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 10:06:41,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,284 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,284 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,284 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 10:06:41,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 10:06:41,284 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 10:06:41,295 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,295 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,295 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 10:06:41,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 10:06:41,295 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,295 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 10:06:41,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,296 - INFO - number of orbitals:  76
-2024-12-04 10:06:41,297 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,297 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,297 - INFO - moving on ...
-2024-12-04 10:06:41,297 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-04 10:06:41,297 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-04 10:06:41,297 - INFO - problem_instance short name: Mn_1
-2024-12-04 10:06:41,297 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,297 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-04 10:06:41,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,298 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,298 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,298 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-04 10:06:41,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-04 10:06:41,298 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-04 10:06:41,308 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,308 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,308 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-04 10:06:41,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-04 10:06:41,309 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,309 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-04 10:06:41,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,310 - INFO - number of orbitals:  88
-2024-12-04 10:06:41,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,310 - INFO - moving on ...
-2024-12-04 10:06:41,310 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 10:06:41,310 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 10:06:41,310 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 10:06:41,310 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,310 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 10:06:41,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,311 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,312 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,312 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 10:06:41,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 10:06:41,312 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 10:06:41,322 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,323 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,323 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 10:06:41,323 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 10:06:41,323 - INFO - problem_instance short name: s_o2_0
-2024-12-04 10:06:41,323 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,323 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 10:06:41,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,324 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,324 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,324 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-04 10:06:41,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-04 10:06:41,324 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-04 10:06:41,335 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,335 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,336 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-04 10:06:41,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-04 10:06:41,336 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,336 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 10:06:41,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,337 - INFO - number of orbitals:  94
-2024-12-04 10:06:41,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,337 - INFO - moving on ...
-2024-12-04 10:06:41,337 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 10:06:41,338 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 10:06:41,338 - INFO - problem_instance short name: mo2_n2
-2024-12-04 10:06:41,338 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,338 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 10:06:41,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,340 - INFO - number of orbitals:  69
-2024-12-04 10:06:41,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,340 - INFO - moving on ...
-2024-12-04 10:06:41,340 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 10:06:41,340 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,340 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,340 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,342 - INFO - number of orbitals:  70
-2024-12-04 10:06:41,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,342 - INFO - moving on ...
-2024-12-04 10:06:41,342 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-04 10:06:41,342 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,342 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,342 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,344 - INFO - number of orbitals:  69
-2024-12-04 10:06:41,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,344 - INFO - moving on ...
-2024-12-04 10:06:41,344 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 10:06:41,344 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 10:06:41,345 - INFO - problem_instance short name: ru_mono
-2024-12-04 10:06:41,345 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,345 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 10:06:41,345 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,345 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,345 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,346 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,346 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,346 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 10:06:41,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 10:06:41,347 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 10:06:41,357 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,357 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,357 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 10:06:41,357 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,357 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,357 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,359 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,359 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,359 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 10:06:41,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 10:06:41,359 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 10:06:41,370 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,370 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,370 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 10:06:41,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,372 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,372 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,372 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 10:06:41,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 10:06:41,372 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 10:06:41,383 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,383 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,383 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 10:06:41,383 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,383 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,383 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,385 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,385 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,386 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-04 10:06:41,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-04 10:06:41,386 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-04 10:06:41,396 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,397 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,397 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 10:06:41,397 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,397 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,397 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,399 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,399 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,399 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 10:06:41,399 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 10:06:41,399 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 10:06:41,409 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,410 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,410 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 10:06:41,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,412 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,412 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,412 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 10:06:41,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 10:06:41,412 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 10:06:41,425 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,425 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,425 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 10:06:41,425 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 10:06:41,425 - INFO - problem_instance short name: Sc_1
-2024-12-04 10:06:41,426 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,426 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 10:06:41,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,427 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,427 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,427 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-04 10:06:41,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-04 10:06:41,427 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-04 10:06:41,438 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,438 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,438 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-04 10:06:41,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-04 10:06:41,438 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,438 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 10:06:41,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,440 - INFO - number of orbitals:  135
-2024-12-04 10:06:41,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,440 - INFO - moving on ...
-2024-12-04 10:06:41,440 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 10:06:41,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,441 - INFO - number of orbitals:  88
-2024-12-04 10:06:41,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,441 - INFO - moving on ...
-2024-12-04 10:06:41,441 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:41,441 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:41,441 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:41,441 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,442 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:41,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,443 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,443 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,443 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:41,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:41,443 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:41,453 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,454 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,454 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 10:06:41,454 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 10:06:41,454 - INFO - problem_instance short name: n2_0
-2024-12-04 10:06:41,454 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,454 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 10:06:41,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,455 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,456 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,456 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 10:06:41,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 10:06:41,456 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 10:06:41,466 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,467 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,467 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 10:06:41,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 10:06:41,467 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,467 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 10:06:41,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,468 - INFO - number of orbitals:  110
-2024-12-04 10:06:41,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,468 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,468 - INFO - moving on ...
-2024-12-04 10:06:41,468 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 10:06:41,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,469 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,470 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,470 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-04 10:06:41,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-04 10:06:41,470 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-04 10:06:41,480 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,480 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,481 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-04 10:06:41,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-04 10:06:41,481 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,481 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 10:06:41,481 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 10:06:41,481 - INFO - problem_instance short name: be_0
-2024-12-04 10:06:41,481 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,481 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 10:06:41,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,482 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,482 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,482 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 10:06:41,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 10:06:41,483 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 10:06:41,493 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,493 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,493 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 10:06:41,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 10:06:41,493 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,493 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 10:06:41,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,495 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,495 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,495 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-04 10:06:41,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-04 10:06:41,495 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-04 10:06:41,505 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,505 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,505 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-04 10:06:41,506 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-04 10:06:41,506 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,506 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 10:06:41,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,507 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,507 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,507 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 10:06:41,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 10:06:41,507 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 10:06:41,518 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,518 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,518 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 10:06:41,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 10:06:41,518 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,518 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 10:06:41,519 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 10:06:41,519 - INFO - problem_instance short name: TiO_0
-2024-12-04 10:06:41,519 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,519 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 10:06:41,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,520 - INFO - number of orbitals:  76
-2024-12-04 10:06:41,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,520 - INFO - moving on ...
-2024-12-04 10:06:41,520 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 10:06:41,520 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 10:06:41,520 - INFO - problem_instance short name: na2_0
-2024-12-04 10:06:41,520 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,520 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 10:06:41,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,522 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,522 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,522 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-04 10:06:41,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-04 10:06:41,522 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-04 10:06:41,533 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,533 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,533 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-04 10:06:41,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-04 10:06:41,533 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,533 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 10:06:41,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,535 - INFO - number of orbitals:  118
-2024-12-04 10:06:41,535 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,535 - INFO - moving on ...
-2024-12-04 10:06:41,535 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 10:06:41,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,536 - INFO - number of orbitals:  68
-2024-12-04 10:06:41,536 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,536 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,536 - INFO - moving on ...
-2024-12-04 10:06:41,536 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 10:06:41,536 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 10:06:41,536 - INFO - problem_instance short name: Ti_0
-2024-12-04 10:06:41,536 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,536 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 10:06:41,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,538 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,538 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,538 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-04 10:06:41,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-04 10:06:41,538 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-04 10:06:41,548 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,548 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,549 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-04 10:06:41,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-04 10:06:41,549 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,549 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 10:06:41,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,550 - INFO - number of orbitals:  88
-2024-12-04 10:06:41,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,550 - INFO - moving on ...
-2024-12-04 10:06:41,550 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 10:06:41,550 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 10:06:41,550 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 10:06:41,550 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,550 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 10:06:41,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,552 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,552 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,552 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-04 10:06:41,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-04 10:06:41,552 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-04 10:06:41,562 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,563 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,563 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-04 10:06:41,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-04 10:06:41,563 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,563 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:41,563 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:41,563 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:41,563 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,563 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:41,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,564 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,565 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,566 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,566 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:41,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:41,566 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:41,576 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,577 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,577 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:41,577 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,577 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,577 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,579 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,579 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,579 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:41,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:41,579 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:41,590 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,590 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,590 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:41,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,591 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,592 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,593 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,593 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 10:06:41,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 10:06:41,593 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 10:06:41,603 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,604 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,604 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:41,604 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,604 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,604 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,606 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,606 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,606 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-04 10:06:41,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-04 10:06:41,606 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-04 10:06:41,616 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,616 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,616 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:41,616 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,618 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,618 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,618 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:41,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:41,619 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:41,629 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,629 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,629 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:41,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,631 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,631 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,631 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:41,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:41,631 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:41,642 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,642 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,642 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:41,642 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,644 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,644 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,645 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 10:06:41,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 10:06:41,645 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 10:06:41,657 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,657 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,657 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:41,657 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,657 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,658 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,660 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,660 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,660 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-04 10:06:41,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-04 10:06:41,661 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-04 10:06:41,671 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,672 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,672 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:41,672 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,672 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,672 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,674 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,674 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,674 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:41,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:41,674 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:41,684 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,685 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,685 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:41,685 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,685 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,685 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,687 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,687 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,687 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 10:06:41,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 10:06:41,687 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 10:06:41,697 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,698 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,698 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:41,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,700 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,700 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,700 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 10:06:41,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 10:06:41,700 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 10:06:41,711 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,711 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,711 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:41,711 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,711 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,711 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,713 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,713 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,713 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-04 10:06:41,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-04 10:06:41,713 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-04 10:06:41,724 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,724 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,724 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 10:06:41,725 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 10:06:41,725 - INFO - problem_instance short name: si_h4_0
-2024-12-04 10:06:41,725 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,725 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 10:06:41,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,726 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,726 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,726 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-04 10:06:41,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-04 10:06:41,726 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-04 10:06:41,737 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,737 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,737 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-04 10:06:41,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-04 10:06:41,738 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,738 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 10:06:41,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,739 - INFO - number of orbitals:  90
-2024-12-04 10:06:41,739 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,739 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,739 - INFO - moving on ...
-2024-12-04 10:06:41,739 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 10:06:41,739 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 10:06:41,739 - INFO - problem_instance short name: li_f_0
-2024-12-04 10:06:41,739 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,739 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 10:06:41,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,741 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,741 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,741 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 10:06:41,741 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 10:06:41,741 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 10:06:41,751 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,752 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,752 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 10:06:41,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 10:06:41,752 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,752 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 10:06:41,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,753 - INFO - number of orbitals:  110
-2024-12-04 10:06:41,753 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,753 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,753 - INFO - moving on ...
-2024-12-04 10:06:41,753 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 10:06:41,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,754 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,754 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,755 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-04 10:06:41,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-04 10:06:41,755 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-04 10:06:41,765 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,765 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,765 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-04 10:06:41,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-04 10:06:41,765 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,765 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 10:06:41,766 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 10:06:41,766 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 10:06:41,766 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,766 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 10:06:41,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,767 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,767 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,767 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 10:06:41,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 10:06:41,767 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 10:06:41,778 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,778 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,778 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 10:06:41,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 10:06:41,778 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,778 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 10:06:41,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,780 - INFO - number of orbitals:  119
-2024-12-04 10:06:41,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,780 - INFO - moving on ...
-2024-12-04 10:06:41,780 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 10:06:41,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,781 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,781 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,781 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-04 10:06:41,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-04 10:06:41,781 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-04 10:06:41,792 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,793 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,793 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-04 10:06:41,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-04 10:06:41,793 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,793 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 10:06:41,793 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 10:06:41,793 - INFO - problem_instance short name: Cu_0
-2024-12-04 10:06:41,793 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,793 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 10:06:41,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,794 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,795 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,795 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-04 10:06:41,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-04 10:06:41,795 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-04 10:06:41,805 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,806 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,806 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-04 10:06:41,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-04 10:06:41,806 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,806 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 10:06:41,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,808 - INFO - number of orbitals:  88
-2024-12-04 10:06:41,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,808 - INFO - moving on ...
-2024-12-04 10:06:41,808 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 10:06:41,808 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 10:06:41,808 - INFO - problem_instance short name: Cr_0
-2024-12-04 10:06:41,808 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,808 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 10:06:41,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,810 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,810 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,810 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-04 10:06:41,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-04 10:06:41,810 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-04 10:06:41,821 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,821 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,821 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-04 10:06:41,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-04 10:06:41,821 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,821 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 10:06:41,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,823 - INFO - number of orbitals:  88
-2024-12-04 10:06:41,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,823 - INFO - moving on ...
-2024-12-04 10:06:41,823 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 10:06:41,823 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 10:06:41,823 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 10:06:41,823 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,823 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 10:06:41,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,824 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,825 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,825 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 10:06:41,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 10:06:41,825 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 10:06:41,835 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,835 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,835 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 10:06:41,836 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 10:06:41,836 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 10:06:41,836 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,836 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 10:06:41,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,837 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,837 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,837 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-04 10:06:41,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-04 10:06:41,837 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-04 10:06:41,848 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,848 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,848 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-04 10:06:41,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-04 10:06:41,848 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,848 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 10:06:41,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,850 - INFO - number of orbitals:  88
-2024-12-04 10:06:41,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,850 - INFO - moving on ...
-2024-12-04 10:06:41,850 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 10:06:41,850 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 10:06:41,850 - INFO - problem_instance short name: ScO_0
-2024-12-04 10:06:41,850 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,850 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 10:06:41,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,851 - INFO - number of orbitals:  76
-2024-12-04 10:06:41,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,851 - INFO - moving on ...
-2024-12-04 10:06:41,851 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 10:06:41,851 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 10:06:41,852 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 10:06:41,852 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,852 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 10:06:41,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,853 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,853 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,853 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 10:06:41,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 10:06:41,853 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 10:06:41,864 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,864 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,864 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 10:06:41,865 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 10:06:41,865 - INFO - problem_instance short name: c_o2_0
-2024-12-04 10:06:41,865 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,865 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 10:06:41,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,866 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,866 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,866 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-04 10:06:41,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-04 10:06:41,866 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-04 10:06:41,877 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,877 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,877 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-04 10:06:41,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-04 10:06:41,877 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,877 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 10:06:41,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,879 - INFO - number of orbitals:  90
-2024-12-04 10:06:41,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,879 - INFO - moving on ...
-2024-12-04 10:06:41,879 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-04 10:06:41,879 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-04 10:06:41,879 - INFO - problem_instance short name: O_0
-2024-12-04 10:06:41,879 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,879 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-04 10:06:41,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,881 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,881 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,881 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-04 10:06:41,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-04 10:06:41,881 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-04 10:06:41,891 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,892 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,892 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-04 10:06:41,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-04 10:06:41,892 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,892 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-04 10:06:41,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,893 - INFO - number of orbitals:  79
-2024-12-04 10:06:41,893 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,893 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,893 - INFO - moving on ...
-2024-12-04 10:06:41,893 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-04 10:06:41,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,895 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,895 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,895 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-04 10:06:41,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-04 10:06:41,895 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-04 10:06:41,905 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,906 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,906 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-04 10:06:41,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-04 10:06:41,906 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,906 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 10:06:41,906 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 10:06:41,906 - INFO - problem_instance short name: O_1
-2024-12-04 10:06:41,906 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,906 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 10:06:41,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,907 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,907 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,907 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 10:06:41,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 10:06:41,908 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 10:06:41,918 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,918 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,918 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 10:06:41,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 10:06:41,919 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,919 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 10:06:41,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,920 - INFO - number of orbitals:  79
-2024-12-04 10:06:41,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,920 - INFO - moving on ...
-2024-12-04 10:06:41,920 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 10:06:41,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,921 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,921 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,921 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-04 10:06:41,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-04 10:06:41,921 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-04 10:06:41,932 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,932 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,932 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-04 10:06:41,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-04 10:06:41,932 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,932 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 10:06:41,933 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 10:06:41,933 - INFO - problem_instance short name: f2_0
-2024-12-04 10:06:41,933 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,933 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 10:06:41,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,934 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,934 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,934 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 10:06:41,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 10:06:41,934 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 10:06:41,945 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,945 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,945 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 10:06:41,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 10:06:41,945 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,946 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 10:06:41,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,947 - INFO - number of orbitals:  110
-2024-12-04 10:06:41,947 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,947 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,947 - INFO - moving on ...
-2024-12-04 10:06:41,947 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 10:06:41,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,948 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,948 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,948 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-04 10:06:41,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-04 10:06:41,948 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-04 10:06:41,959 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,959 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,959 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-04 10:06:41,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-04 10:06:41,959 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,959 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 10:06:41,960 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 10:06:41,960 - INFO - problem_instance short name: VO_0
-2024-12-04 10:06:41,960 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,960 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 10:06:41,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,961 - INFO - number of orbitals:  76
-2024-12-04 10:06:41,961 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,961 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,961 - INFO - moving on ...
-2024-12-04 10:06:41,961 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 10:06:41,961 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 10:06:41,962 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 10:06:41,962 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,962 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 10:06:41,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,963 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,963 - INFO - number of supporting files: 2
-2024-12-04 10:06:41,963 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-04 10:06:41,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-04 10:06:41,963 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-04 10:06:41,973 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,974 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,974 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-04 10:06:41,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-04 10:06:41,974 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:41,974 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 10:06:41,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,975 - INFO - number of orbitals:  116
-2024-12-04 10:06:41,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:41,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:41,975 - INFO - moving on ...
-2024-12-04 10:06:41,975 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 10:06:41,976 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 10:06:41,976 - INFO - problem_instance short name: mn_mono
-2024-12-04 10:06:41,976 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 10:06:41,976 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 10:06:41,976 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,976 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,976 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,978 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,978 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,978 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 10:06:41,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 10:06:41,978 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 10:06:41,988 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:41,989 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 10:06:41,989 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 10:06:41,989 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:41,989 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:41,989 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:41,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:41,991 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:41,991 - INFO - number of supporting files: 1
-2024-12-04 10:06:41,991 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 10:06:41,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 10:06:41,991 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 10:06:42,002 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,003 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,003 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 10:06:42,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,003 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,005 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,005 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,005 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 10:06:42,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 10:06:42,005 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 10:06:42,017 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,018 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,018 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 10:06:42,018 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,018 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,018 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,020 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,020 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,020 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 10:06:42,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 10:06:42,020 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 10:06:42,032 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,032 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,032 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 10:06:42,032 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,033 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,033 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,035 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,035 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,035 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 10:06:42,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 10:06:42,035 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 10:06:42,046 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,046 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,047 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 10:06:42,047 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,047 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,047 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,049 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,049 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,049 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 10:06:42,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 10:06:42,049 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 10:06:42,060 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,060 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,060 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 10:06:42,060 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,060 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,060 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,062 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,062 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,062 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 10:06:42,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 10:06:42,062 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 10:06:42,073 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,074 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,074 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 10:06:42,074 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,074 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,074 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,076 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,076 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,076 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 10:06:42,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 10:06:42,076 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 10:06:42,087 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,088 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,088 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 10:06:42,088 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 10:06:42,088 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 10:06:42,088 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,088 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 10:06:42,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,089 - INFO - number of orbitals:  70
-2024-12-04 10:06:42,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,089 - INFO - moving on ...
-2024-12-04 10:06:42,089 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 10:06:42,090 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 10:06:42,090 - INFO - problem_instance short name: V_1
-2024-12-04 10:06:42,090 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,090 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 10:06:42,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,091 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,091 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,091 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-04 10:06:42,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-04 10:06:42,091 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-04 10:06:42,102 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,102 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,102 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-04 10:06:42,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-04 10:06:42,102 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,102 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 10:06:42,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,104 - INFO - number of orbitals:  88
-2024-12-04 10:06:42,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,104 - INFO - moving on ...
-2024-12-04 10:06:42,104 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 10:06:42,104 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 10:06:42,104 - INFO - problem_instance short name: Sc_0
-2024-12-04 10:06:42,104 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,104 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 10:06:42,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,106 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,106 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,106 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-04 10:06:42,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-04 10:06:42,106 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-04 10:06:42,117 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,117 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,117 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-04 10:06:42,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-04 10:06:42,117 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,117 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 10:06:42,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,119 - INFO - number of orbitals:  135
-2024-12-04 10:06:42,119 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,119 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,119 - INFO - moving on ...
-2024-12-04 10:06:42,119 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 10:06:42,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,120 - INFO - number of orbitals:  88
-2024-12-04 10:06:42,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,120 - INFO - moving on ...
-2024-12-04 10:06:42,120 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:42,120 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:42,120 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:42,120 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,120 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:42,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,122 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,122 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,122 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:42,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:42,122 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:42,133 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,133 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,133 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-04 10:06:42,133 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-04 10:06:42,133 - INFO - problem_instance short name: planted_solution_0011
-2024-12-04 10:06:42,133 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,133 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-04 10:06:42,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,135 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,135 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,135 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-04 10:06:42,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-04 10:06:42,135 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-04 10:06:42,146 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,146 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,146 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 10:06:42,146 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 10:06:42,146 - INFO - problem_instance short name: CuO_0
-2024-12-04 10:06:42,146 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,147 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 10:06:42,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,148 - INFO - number of orbitals:  76
-2024-12-04 10:06:42,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,148 - INFO - moving on ...
-2024-12-04 10:06:42,148 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 10:06:42,148 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 10:06:42,148 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 10:06:42,148 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,148 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 10:06:42,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,150 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,150 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,150 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-04 10:06:42,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-04 10:06:42,150 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-04 10:06:42,161 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,162 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,162 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-04 10:06:42,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-04 10:06:42,162 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,162 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 10:06:42,162 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 10:06:42,162 - INFO - problem_instance short name: cl2_0
-2024-12-04 10:06:42,162 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,162 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 10:06:42,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,164 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,164 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,164 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 10:06:42,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 10:06:42,164 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 10:06:42,175 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,176 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,176 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 10:06:42,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 10:06:42,176 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,176 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 10:06:42,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,178 - INFO - number of orbitals:  118
-2024-12-04 10:06:42,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,178 - INFO - moving on ...
-2024-12-04 10:06:42,178 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 10:06:42,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,179 - INFO - number of orbitals:  68
-2024-12-04 10:06:42,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,179 - INFO - moving on ...
-2024-12-04 10:06:42,179 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 10:06:42,179 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 10:06:42,180 - INFO - problem_instance short name: c_o_0
-2024-12-04 10:06:42,180 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,180 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 10:06:42,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,181 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,181 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,181 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 10:06:42,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 10:06:42,181 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 10:06:42,192 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,192 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,192 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 10:06:42,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 10:06:42,192 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,192 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 10:06:42,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,194 - INFO - number of orbitals:  110
-2024-12-04 10:06:42,194 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,194 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,194 - INFO - moving on ...
-2024-12-04 10:06:42,194 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 10:06:42,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,195 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,195 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,195 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-04 10:06:42,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-04 10:06:42,195 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-04 10:06:42,206 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,206 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,206 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-04 10:06:42,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-04 10:06:42,207 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,207 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 10:06:42,207 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 10:06:42,207 - INFO - problem_instance short name: h_cl_0
-2024-12-04 10:06:42,207 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,207 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 10:06:42,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,208 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,208 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,209 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 10:06:42,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 10:06:42,209 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 10:06:42,219 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,220 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,220 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 10:06:42,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 10:06:42,220 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,220 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 10:06:42,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,221 - INFO - number of orbitals:  89
-2024-12-04 10:06:42,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,221 - INFO - moving on ...
-2024-12-04 10:06:42,222 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 10:06:42,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,223 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,223 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,223 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-04 10:06:42,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-04 10:06:42,223 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-04 10:06:42,233 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,234 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,234 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-04 10:06:42,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-04 10:06:42,234 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,234 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 10:06:42,234 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 10:06:42,234 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 10:06:42,234 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,234 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 10:06:42,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,236 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,236 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,236 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-04 10:06:42,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-04 10:06:42,236 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-04 10:06:42,246 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,246 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,246 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-04 10:06:42,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-04 10:06:42,247 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,247 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 10:06:42,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,248 - INFO - number of orbitals:  88
-2024-12-04 10:06:42,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,248 - INFO - moving on ...
-2024-12-04 10:06:42,248 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 10:06:42,248 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 10:06:42,248 - INFO - problem_instance short name: ozone
-2024-12-04 10:06:42,248 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,248 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 10:06:42,248 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,248 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,248 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,250 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,250 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,250 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-04 10:06:42,250 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-04 10:06:42,250 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-04 10:06:42,261 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,261 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,261 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 10:06:42,261 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,261 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,261 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,263 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,263 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,263 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 10:06:42,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 10:06:42,263 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 10:06:42,274 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,274 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,274 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 10:06:42,275 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,275 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,275 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,277 - INFO - number of orbitals:  90
-2024-12-04 10:06:42,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,277 - INFO - moving on ...
-2024-12-04 10:06:42,277 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 10:06:42,277 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,277 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,277 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,279 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,279 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,279 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-04 10:06:42,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-04 10:06:42,279 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-04 10:06:42,290 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,290 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,290 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 10:06:42,290 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,290 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,292 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,292 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,292 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 10:06:42,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 10:06:42,292 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 10:06:42,303 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,303 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,303 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 10:06:42,303 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,304 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,304 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,306 - INFO - number of orbitals:  90
-2024-12-04 10:06:42,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,306 - INFO - moving on ...
-2024-12-04 10:06:42,306 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-04 10:06:42,306 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-04 10:06:42,306 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-04 10:06:42,306 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,306 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-04 10:06:42,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,307 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,307 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,307 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-04 10:06:42,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-04 10:06:42,307 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-04 10:06:42,318 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,319 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,319 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-04 10:06:42,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-04 10:06:42,319 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,319 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-04 10:06:42,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,320 - INFO - number of orbitals:  115
-2024-12-04 10:06:42,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,320 - INFO - moving on ...
-2024-12-04 10:06:42,320 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-04 10:06:42,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,322 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,322 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,322 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-04 10:06:42,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-04 10:06:42,322 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-04 10:06:42,332 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,333 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,333 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-04 10:06:42,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-04 10:06:42,333 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,333 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 10:06:42,334 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 10:06:42,334 - INFO - problem_instance short name: ru_macho
-2024-12-04 10:06:42,334 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,334 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 10:06:42,334 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,334 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,334 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,336 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,336 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,336 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 10:06:42,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 10:06:42,336 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 10:06:42,347 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,347 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,347 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 10:06:42,347 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,347 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,347 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,349 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,349 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,349 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 10:06:42,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 10:06:42,349 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 10:06:42,360 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,360 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,361 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 10:06:42,361 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,361 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,361 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,363 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,363 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,363 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 10:06:42,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 10:06:42,363 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 10:06:42,373 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,374 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,374 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 10:06:42,374 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,374 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,374 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,376 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,376 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,376 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 10:06:42,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 10:06:42,376 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 10:06:42,387 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,387 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,387 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 10:06:42,387 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,387 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,387 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,390 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,390 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,390 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 10:06:42,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 10:06:42,390 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 10:06:42,401 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,401 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,401 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 10:06:42,401 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,401 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,403 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,403 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,404 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 10:06:42,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 10:06:42,404 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 10:06:42,415 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,415 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,415 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 10:06:42,416 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,416 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,416 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,418 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,418 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,418 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-04 10:06:42,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-04 10:06:42,418 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-04 10:06:42,429 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,429 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,429 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 10:06:42,429 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,429 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,429 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,431 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,431 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,431 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 10:06:42,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 10:06:42,432 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 10:06:42,442 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,443 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,443 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 10:06:42,443 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,443 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,443 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,445 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,445 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,445 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-04 10:06:42,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-04 10:06:42,445 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-04 10:06:42,456 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,457 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,457 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 10:06:42,457 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 10:06:42,457 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 10:06:42,457 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,457 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 10:06:42,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,459 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,459 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,459 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-04 10:06:42,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-04 10:06:42,459 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-04 10:06:42,470 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,471 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,471 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-04 10:06:42,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-04 10:06:42,471 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,471 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 10:06:42,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,473 - INFO - number of orbitals:  116
-2024-12-04 10:06:42,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,473 - INFO - moving on ...
-2024-12-04 10:06:42,473 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 10:06:42,473 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 10:06:42,473 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 10:06:42,473 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,473 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 10:06:42,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,475 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,475 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,475 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 10:06:42,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 10:06:42,475 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 10:06:42,486 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,486 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,486 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 10:06:42,486 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 10:06:42,487 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 10:06:42,487 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,487 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 10:06:42,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,488 - INFO - number of orbitals:  66
-2024-12-04 10:06:42,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,488 - INFO - moving on ...
-2024-12-04 10:06:42,488 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 10:06:42,488 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 10:06:42,488 - INFO - problem_instance short name: h_f_0
-2024-12-04 10:06:42,488 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,488 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 10:06:42,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,490 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,490 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,490 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 10:06:42,490 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 10:06:42,490 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 10:06:42,500 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,501 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,501 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 10:06:42,501 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 10:06:42,501 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,501 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 10:06:42,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,502 - INFO - number of orbitals:  85
-2024-12-04 10:06:42,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,503 - INFO - moving on ...
-2024-12-04 10:06:42,503 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 10:06:42,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,504 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,504 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,504 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-04 10:06:42,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-04 10:06:42,504 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-04 10:06:42,515 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,515 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,515 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-04 10:06:42,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-04 10:06:42,515 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,515 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 10:06:42,515 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 10:06:42,516 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 10:06:42,516 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,516 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 10:06:42,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,517 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,517 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,517 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-04 10:06:42,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-04 10:06:42,517 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-04 10:06:42,528 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,528 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,528 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-04 10:06:42,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-04 10:06:42,529 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,529 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 10:06:42,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,530 - INFO - number of orbitals:  78
-2024-12-04 10:06:42,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,530 - INFO - moving on ...
-2024-12-04 10:06:42,530 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 10:06:42,530 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 10:06:42,530 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 10:06:42,530 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,530 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 10:06:42,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,532 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,532 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,532 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-04 10:06:42,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-04 10:06:42,532 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-04 10:06:42,542 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,543 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,543 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-04 10:06:42,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-04 10:06:42,543 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,543 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 10:06:42,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,544 - INFO - number of orbitals:  88
-2024-12-04 10:06:42,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,545 - INFO - moving on ...
-2024-12-04 10:06:42,545 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 10:06:42,545 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 10:06:42,545 - INFO - problem_instance short name: Fe_0
-2024-12-04 10:06:42,545 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,545 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 10:06:42,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,546 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,546 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,546 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-04 10:06:42,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-04 10:06:42,546 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-04 10:06:42,557 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,557 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,557 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-04 10:06:42,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-04 10:06:42,557 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,557 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 10:06:42,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,559 - INFO - number of orbitals:  88
-2024-12-04 10:06:42,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,559 - INFO - moving on ...
-2024-12-04 10:06:42,559 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 10:06:42,559 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 10:06:42,559 - INFO - problem_instance short name: Cu_1
-2024-12-04 10:06:42,559 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,559 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 10:06:42,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,561 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,561 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,561 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-04 10:06:42,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-04 10:06:42,561 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-04 10:06:42,571 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,572 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,572 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-04 10:06:42,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-04 10:06:42,572 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,572 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 10:06:42,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,573 - INFO - number of orbitals:  88
-2024-12-04 10:06:42,573 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,573 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,574 - INFO - moving on ...
-2024-12-04 10:06:42,574 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 10:06:42,574 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 10:06:42,574 - INFO - problem_instance short name: cr_dimer
-2024-12-04 10:06:42,574 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,574 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 10:06:42,574 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,574 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,574 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,576 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,576 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,576 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 10:06:42,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 10:06:42,576 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 10:06:42,586 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,587 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,587 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 10:06:42,587 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,587 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,587 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,589 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,589 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,589 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 10:06:42,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 10:06:42,589 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 10:06:42,600 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,600 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,600 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 10:06:42,600 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,600 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,600 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,602 - INFO - number of orbitals:  68
-2024-12-04 10:06:42,602 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,602 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,602 - INFO - moving on ...
-2024-12-04 10:06:42,602 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 10:06:42,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,602 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,602 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,604 - INFO - number of orbitals:  76
-2024-12-04 10:06:42,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,604 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,604 - INFO - moving on ...
-2024-12-04 10:06:42,604 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 10:06:42,604 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,604 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,604 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,606 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,606 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,606 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 10:06:42,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 10:06:42,606 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 10:06:42,617 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,617 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,617 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 10:06:42,617 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,619 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,619 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,619 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 10:06:42,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 10:06:42,619 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 10:06:42,630 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,630 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,630 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 10:06:42,630 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,630 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,632 - INFO - number of orbitals:  68
-2024-12-04 10:06:42,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,632 - INFO - moving on ...
-2024-12-04 10:06:42,632 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 10:06:42,632 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,633 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,633 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,634 - INFO - number of orbitals:  76
-2024-12-04 10:06:42,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,634 - INFO - moving on ...
-2024-12-04 10:06:42,634 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 10:06:42,634 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,635 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,635 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,636 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,636 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,636 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 10:06:42,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 10:06:42,636 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 10:06:42,647 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,647 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,647 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 10:06:42,647 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,649 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,649 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,650 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 10:06:42,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 10:06:42,650 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 10:06:42,660 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,661 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,661 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 10:06:42,661 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,663 - INFO - number of orbitals:  68
-2024-12-04 10:06:42,663 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,663 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,663 - INFO - moving on ...
-2024-12-04 10:06:42,663 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 10:06:42,663 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,663 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,663 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,665 - INFO - number of orbitals:  76
-2024-12-04 10:06:42,665 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,665 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,665 - INFO - moving on ...
-2024-12-04 10:06:42,665 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 10:06:42,665 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 10:06:42,665 - INFO - problem_instance short name: benzene
-2024-12-04 10:06:42,665 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,665 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 10:06:42,665 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,666 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,666 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,667 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,667 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,667 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 10:06:42,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 10:06:42,667 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 10:06:42,678 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,678 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,678 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 10:06:42,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,678 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,680 - INFO - number of orbitals:  108
-2024-12-04 10:06:42,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,680 - INFO - moving on ...
-2024-12-04 10:06:42,680 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 10:06:42,681 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 10:06:42,681 - INFO - problem_instance short name: c_h4_0
-2024-12-04 10:06:42,681 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,681 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 10:06:42,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,682 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,682 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,682 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 10:06:42,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 10:06:42,682 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 10:06:42,693 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,693 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,693 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 10:06:42,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 10:06:42,693 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,693 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 10:06:42,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,694 - INFO - number of orbitals:  86
-2024-12-04 10:06:42,695 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,695 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,695 - INFO - moving on ...
-2024-12-04 10:06:42,695 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:42,695 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:42,695 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:42,695 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,695 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:42,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,696 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,696 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,696 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 10:06:42,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 10:06:42,696 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 10:06:42,707 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,707 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,707 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 10:06:42,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 10:06:42,707 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,707 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:42,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,709 - INFO - number of orbitals:  74
-2024-12-04 10:06:42,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,709 - INFO - moving on ...
-2024-12-04 10:06:42,709 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 10:06:42,709 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 10:06:42,709 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 10:06:42,709 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,709 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 10:06:42,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,710 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,710 - INFO - number of supporting files: 2
-2024-12-04 10:06:42,710 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-04 10:06:42,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-04 10:06:42,711 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-04 10:06:42,721 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,721 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,721 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-04 10:06:42,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-04 10:06:42,721 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:42,721 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 10:06:42,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,723 - INFO - number of orbitals:  106
-2024-12-04 10:06:42,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,723 - INFO - moving on ...
-2024-12-04 10:06:42,723 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 10:06:42,723 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 10:06:42,723 - INFO - problem_instance short name: fe_red
-2024-12-04 10:06:42,723 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,723 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 10:06:42,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,725 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,725 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,725 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-04 10:06:42,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-04 10:06:42,725 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-04 10:06:42,736 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,736 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,736 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 10:06:42,736 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,736 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,736 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,738 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,738 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,738 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-04 10:06:42,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-04 10:06:42,738 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-04 10:06:42,749 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,749 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,749 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 10:06:42,749 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,749 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,749 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,751 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,751 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,751 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-04 10:06:42,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-04 10:06:42,751 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-04 10:06:42,762 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,762 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,762 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 10:06:42,762 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,764 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,764 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,764 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-04 10:06:42,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-04 10:06:42,765 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-04 10:06:42,775 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,775 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,775 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 10:06:42,775 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,776 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,776 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,777 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,777 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,777 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-04 10:06:42,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-04 10:06:42,778 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-04 10:06:42,788 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,788 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,788 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 10:06:42,788 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,788 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,788 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,790 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,790 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,790 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-04 10:06:42,790 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-04 10:06:42,790 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-04 10:06:42,801 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,801 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,801 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 10:06:42,801 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,801 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,801 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,803 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,803 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,803 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-04 10:06:42,803 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-04 10:06:42,803 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-04 10:06:42,814 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,814 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,814 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 10:06:42,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,815 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,815 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,817 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,817 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,817 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-04 10:06:42,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-04 10:06:42,817 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-04 10:06:42,827 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,827 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,828 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 10:06:42,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,830 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,830 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,830 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-04 10:06:42,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-04 10:06:42,830 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-04 10:06:42,841 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,841 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,841 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-04 10:06:42,842 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-04 10:06:42,842 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-04 10:06:42,842 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-04 10:06:42,842 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-04 10:06:42,842 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,842 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,842 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,844 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,844 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,844 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-04 10:06:42,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-04 10:06:42,844 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-04 10:06:42,855 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,855 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,855 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-04 10:06:42,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,855 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,855 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,857 - INFO - number of orbitals:  70
-2024-12-04 10:06:42,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,857 - INFO - moving on ...
-2024-12-04 10:06:42,857 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-04 10:06:42,857 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,857 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,857 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,859 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,859 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,859 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-04 10:06:42,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-04 10:06:42,859 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-04 10:06:42,870 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,870 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,870 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-04 10:06:42,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,872 - INFO - number of orbitals:  69
-2024-12-04 10:06:42,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,872 - INFO - moving on ...
-2024-12-04 10:06:42,872 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-04 10:06:42,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,874 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,874 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,874 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-04 10:06:42,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-04 10:06:42,874 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-04 10:06:42,885 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,885 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,885 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-04 10:06:42,885 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,885 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,885 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,887 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,887 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,887 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-04 10:06:42,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-04 10:06:42,887 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-04 10:06:42,898 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,898 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,898 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-04 10:06:42,898 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,898 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,898 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,900 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,900 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,900 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-04 10:06:42,900 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-04 10:06:42,900 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-04 10:06:42,911 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,911 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,911 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-04 10:06:42,911 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,911 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,911 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,913 - INFO - number of orbitals:  69
-2024-12-04 10:06:42,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:42,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:42,913 - INFO - moving on ...
-2024-12-04 10:06:42,913 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-04 10:06:42,913 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,914 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,914 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,915 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,915 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,915 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-04 10:06:42,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-04 10:06:42,915 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-04 10:06:42,926 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,926 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,926 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-04 10:06:42,927 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,927 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,927 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,929 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,929 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,929 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-04 10:06:42,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-04 10:06:42,929 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-04 10:06:42,940 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,940 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,940 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-04 10:06:42,940 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,940 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,940 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,942 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,942 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,942 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-04 10:06:42,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-04 10:06:42,942 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-04 10:06:42,953 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,954 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,954 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-04 10:06:42,954 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,954 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,954 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,956 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,956 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,956 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-04 10:06:42,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-04 10:06:42,956 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-04 10:06:42,967 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,968 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,968 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-04 10:06:42,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,970 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,970 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,970 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-04 10:06:42,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-04 10:06:42,970 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-04 10:06:42,980 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,981 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,981 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-04 10:06:42,981 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,983 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,983 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,983 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-04 10:06:42,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-04 10:06:42,983 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-04 10:06:42,994 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:42,994 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-04 10:06:42,994 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-04 10:06:42,994 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:42,994 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:42,994 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:42,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:42,996 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:42,996 - INFO - number of supporting files: 1
-2024-12-04 10:06:42,996 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-04 10:06:42,996 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-04 10:06:42,996 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-04 10:06:43,007 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,007 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,007 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-04 10:06:43,007 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,007 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,007 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,009 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,009 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,009 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-04 10:06:43,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-04 10:06:43,010 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-04 10:06:43,020 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,020 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,020 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 10:06:43,021 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 10:06:43,021 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 10:06:43,021 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:43,021 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 10:06:43,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,022 - INFO - number of orbitals:  69
-2024-12-04 10:06:43,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:43,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:43,022 - INFO - moving on ...
-2024-12-04 10:06:43,022 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 10:06:43,022 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 10:06:43,022 - INFO - problem_instance short name: li_h_0
-2024-12-04 10:06:43,023 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 10:06:43,023 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 10:06:43,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,024 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,024 - INFO - number of supporting files: 2
-2024-12-04 10:06:43,024 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 10:06:43,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 10:06:43,024 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 10:06:43,034 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,034 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,034 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 10:06:43,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 10:06:43,035 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:43,035 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 10:06:43,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,036 - INFO - number of orbitals:  85
-2024-12-04 10:06:43,036 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:43,036 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:43,036 - INFO - moving on ...
-2024-12-04 10:06:43,036 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 10:06:43,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,037 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,038 - INFO - number of supporting files: 2
-2024-12-04 10:06:43,038 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-04 10:06:43,038 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-04 10:06:43,038 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-04 10:06:43,048 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,048 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,048 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-04 10:06:43,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-04 10:06:43,049 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:43,049 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 10:06:43,049 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 10:06:43,049 - INFO - problem_instance short name: Ti_1
-2024-12-04 10:06:43,049 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:43,049 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 10:06:43,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,050 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,050 - INFO - number of supporting files: 2
-2024-12-04 10:06:43,050 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-04 10:06:43,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-04 10:06:43,050 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-04 10:06:43,061 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,061 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,061 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-04 10:06:43,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-04 10:06:43,061 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:43,061 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 10:06:43,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,063 - INFO - number of orbitals:  88
-2024-12-04 10:06:43,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:43,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:43,063 - INFO - moving on ...
-2024-12-04 10:06:43,063 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 10:06:43,063 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 10:06:43,063 - INFO - problem_instance short name: CrO_0
-2024-12-04 10:06:43,063 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:43,063 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 10:06:43,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,064 - INFO - number of orbitals:  76
-2024-12-04 10:06:43,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-04 10:06:43,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:43,064 - INFO - moving on ...
-2024-12-04 10:06:43,065 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-04 10:06:43,065 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-04 10:06:43,065 - INFO - problem_instance short name: blue_dimer
-2024-12-04 10:06:43,065 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 10:06:43,065 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-04 10:06:43,065 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,065 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,065 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,067 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,067 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,067 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-04 10:06:43,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-04 10:06:43,067 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-04 10:06:43,078 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,078 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,078 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-04 10:06:43,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,078 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,080 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,080 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,080 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-04 10:06:43,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-04 10:06:43,080 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-04 10:06:43,091 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,091 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,091 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-04 10:06:43,091 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,091 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,091 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,093 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,093 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,093 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-04 10:06:43,093 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-04 10:06:43,093 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-04 10:06:43,104 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,104 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,104 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-04 10:06:43,104 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,105 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,105 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,107 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,107 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,107 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-04 10:06:43,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-04 10:06:43,107 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-04 10:06:43,117 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,118 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,118 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-04 10:06:43,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,120 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,120 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,120 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-04 10:06:43,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-04 10:06:43,120 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-04 10:06:43,131 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,131 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,131 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-04 10:06:43,131 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,131 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,131 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,133 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,133 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,133 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-04 10:06:43,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-04 10:06:43,134 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-04 10:06:43,144 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,144 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,145 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-04 10:06:43,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,147 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,147 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,147 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-04 10:06:43,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-04 10:06:43,147 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-04 10:06:43,157 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,157 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,158 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-04 10:06:43,158 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,158 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,158 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,160 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,160 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,160 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-04 10:06:43,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-04 10:06:43,160 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-04 10:06:43,170 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,171 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,171 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-04 10:06:43,171 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,171 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,171 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,173 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,173 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,173 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-04 10:06:43,173 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-04 10:06:43,173 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-04 10:06:43,183 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,184 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,184 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-04 10:06:43,184 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,184 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,184 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,186 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,186 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,186 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-04 10:06:43,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-04 10:06:43,186 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-04 10:06:43,197 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,197 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,197 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-04 10:06:43,197 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,197 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,197 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,199 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,199 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,199 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-04 10:06:43,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-04 10:06:43,199 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-04 10:06:43,210 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,210 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,210 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-04 10:06:43,210 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 10:06:43,210 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 10:06:43,211 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 10:06:43,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,212 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,212 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,212 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-04 10:06:43,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-04 10:06:43,213 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-04 10:06:43,223 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,223 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,223 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-04 10:06:43,224 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-04 10:06:43,224 - INFO - problem_instance short name: planted_solution_0006
-2024-12-04 10:06:43,224 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:43,224 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-04 10:06:43,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,225 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,225 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,225 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-04 10:06:43,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-04 10:06:43,225 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-04 10:06:43,236 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,236 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,236 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-04 10:06:43,236 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-04 10:06:43,236 - INFO - problem_instance short name: planted_solution_0008
-2024-12-04 10:06:43,236 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:43,236 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-04 10:06:43,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,238 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,238 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,238 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-04 10:06:43,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-04 10:06:43,238 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-04 10:06:43,248 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,248 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,249 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-04 10:06:43,249 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-04 10:06:43,249 - INFO - problem_instance short name: h_c_n_0
-2024-12-04 10:06:43,249 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 10:06:43,249 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-04 10:06:43,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,250 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,250 - INFO - number of supporting files: 2
-2024-12-04 10:06:43,250 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-04 10:06:43,250 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-04 10:06:43,250 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-04 10:06:43,261 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,261 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-04 10:06:43,261 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-04 10:06:43,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-04 10:06:43,261 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 10:06:43,261 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-04 10:06:43,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,263 - INFO - number of orbitals:  74
-2024-12-04 10:06:43,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 10:06:43,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 10:06:43,263 - INFO - moving on ...
-2024-12-04 10:06:43,263 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-04 10:06:43,263 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-04 10:06:43,263 - INFO - problem_instance short name: planted_solution_0002
-2024-12-04 10:06:43,263 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 10:06:43,263 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-04 10:06:43,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 10:06:43,264 - INFO - attempting to process the Hamiltonian...
-2024-12-04 10:06:43,264 - INFO - number of supporting files: 1
-2024-12-04 10:06:43,264 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-04 10:06:43,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-04 10:06:43,264 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-04 10:06:43,275 - INFO - number of entries in Hamiltonian_features.csv:  151
-2024-12-04 10:06:43,275 - INFO - did NOT find instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 in database.
-2024-12-04 10:06:43,275 - INFO - Processing instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 ...
-2024-12-04 10:06:43,275 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz...
-2024-12-04 10:06:43,284 - INFO - Connected (version 2.0, client 0)
-2024-12-04 10:06:43,855 - INFO - Authentication (publickey) successful!
-2024-12-04 10:06:43,881 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 10:06:47,475 - INFO - [chan 0] sftp session closed.
-2024-12-04 10:06:47,475 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 10:06:47,475 - INFO - decompressing file fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz...
-2024-12-04 10:06:48,209 - INFO - this script has been running for 0.01 hours.
-2024-12-04 10:06:48,210 - INFO - ===============================================
-2024-12-04 10:06:48,210 - INFO - calculating Hamiltonian features...
-2024-12-04 10:06:48,210 - INFO - reading data from fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7
-2024-12-04 10:06:54,182 - INFO - finished reading FCIDUMP data.
-2024-12-04 10:06:54,183 - INFO - data['NORB']: 69
-2024-12-04 10:06:54,183 - INFO - len(data['H1']): 69
-2024-12-04 10:06:54,183 - INFO - ao2mo.restore...
-2024-12-04 10:06:54,250 - INFO - done.
-2024-12-04 10:06:54,250 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 10:06:54,250 - INFO - done.
-2024-12-04 10:06:54,251 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 11:45:37,884 - INFO - done.
-2024-12-04 11:45:37,884 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 11:55:00,979 - INFO - done.
-2024-12-04 11:55:00,979 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 11:56:08,907 - INFO - done.
-2024-12-04 11:56:08,908 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 11:56:13,590 - INFO - done.
-2024-12-04 11:56:13,590 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 11:56:13,595 - INFO - done.
-2024-12-04 11:56:13,595 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 11:56:13,595 - INFO - done.
-2024-12-04 11:56:18,394 - INFO - Hamiltonian features calculation run time (seconds): 6570.184472
-2024-12-04 11:56:18,395 - INFO - wrote df_eigs to file: df_eigs.16f9288f-be7e-4f8a-ab09-0153263f83c7.bin
-2024-12-04 11:56:18,395 - INFO - deleting file fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-04 11:56:18,410 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 11:56:18,422 - INFO - this script has been running for 1.83 hours.
-2024-12-04 11:56:18,422 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-04 11:56:18,422 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-04 11:56:18,422 - INFO - problem_instance short name: Cr_1
-2024-12-04 11:56:18,422 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 11:56:18,422 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-04 11:56:18,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,424 - INFO - attempting to process the Hamiltonian...
-2024-12-04 11:56:18,424 - INFO - number of supporting files: 2
-2024-12-04 11:56:18,424 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-04 11:56:18,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-04 11:56:18,424 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-04 11:56:18,434 - INFO - number of entries in Hamiltonian_features.csv:  152
-2024-12-04 11:56:18,434 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-04 11:56:18,434 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-04 11:56:18,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-04 11:56:18,434 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 11:56:18,434 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-04 11:56:18,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,436 - INFO - number of orbitals:  135
-2024-12-04 11:56:18,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 11:56:18,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 11:56:18,436 - INFO - moving on ...
-2024-12-04 11:56:18,436 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-04 11:56:18,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,437 - INFO - number of orbitals:  88
-2024-12-04 11:56:18,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 11:56:18,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 11:56:18,437 - INFO - moving on ...
-2024-12-04 11:56:18,437 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-04 11:56:18,437 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-04 11:56:18,438 - INFO - problem_instance short name: h_cl_0
-2024-12-04 11:56:18,438 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 11:56:18,438 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-04 11:56:18,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,439 - INFO - attempting to process the Hamiltonian...
-2024-12-04 11:56:18,439 - INFO - number of supporting files: 2
-2024-12-04 11:56:18,439 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-04 11:56:18,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-04 11:56:18,439 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-04 11:56:18,448 - INFO - number of entries in Hamiltonian_features.csv:  152
-2024-12-04 11:56:18,448 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-04 11:56:18,449 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-04 11:56:18,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-04 11:56:18,449 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 11:56:18,449 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-04 11:56:18,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,450 - INFO - number of orbitals:  89
-2024-12-04 11:56:18,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 11:56:18,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 11:56:18,450 - INFO - moving on ...
-2024-12-04 11:56:18,450 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-04 11:56:18,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,451 - INFO - attempting to process the Hamiltonian...
-2024-12-04 11:56:18,451 - INFO - number of supporting files: 2
-2024-12-04 11:56:18,451 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-04 11:56:18,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-04 11:56:18,451 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-04 11:56:18,460 - INFO - number of entries in Hamiltonian_features.csv:  152
-2024-12-04 11:56:18,460 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-04 11:56:18,460 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-04 11:56:18,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-04 11:56:18,461 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 11:56:18,461 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-04 11:56:18,461 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-04 11:56:18,461 - INFO - problem_instance short name: p_h3_0
-2024-12-04 11:56:18,461 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 11:56:18,461 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-04 11:56:18,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,462 - INFO - attempting to process the Hamiltonian...
-2024-12-04 11:56:18,462 - INFO - number of supporting files: 2
-2024-12-04 11:56:18,462 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-04 11:56:18,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-04 11:56:18,462 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-04 11:56:18,471 - INFO - number of entries in Hamiltonian_features.csv:  152
-2024-12-04 11:56:18,472 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-04 11:56:18,472 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-04 11:56:18,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-04 11:56:18,472 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 11:56:18,472 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-04 11:56:18,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,473 - INFO - number of orbitals:  76
-2024-12-04 11:56:18,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 11:56:18,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 11:56:18,473 - INFO - moving on ...
-2024-12-04 11:56:18,473 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-04 11:56:18,473 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-04 11:56:18,473 - INFO - problem_instance short name: TiO_0
-2024-12-04 11:56:18,473 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 11:56:18,474 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-04 11:56:18,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,475 - INFO - number of orbitals:  76
-2024-12-04 11:56:18,475 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 11:56:18,475 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 11:56:18,475 - INFO - moving on ...
-2024-12-04 11:56:18,475 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-04 11:56:18,475 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-04 11:56:18,475 - INFO - problem_instance short name: CrO_0
-2024-12-04 11:56:18,475 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 11:56:18,475 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-04 11:56:18,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,476 - INFO - number of orbitals:  76
-2024-12-04 11:56:18,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 11:56:18,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 11:56:18,476 - INFO - moving on ...
-2024-12-04 11:56:18,476 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-04 11:56:18,476 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-04 11:56:18,476 - INFO - problem_instance short name: na2_0
-2024-12-04 11:56:18,476 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 11:56:18,477 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-04 11:56:18,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,478 - INFO - attempting to process the Hamiltonian...
-2024-12-04 11:56:18,478 - INFO - number of supporting files: 2
-2024-12-04 11:56:18,478 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-04 11:56:18,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-04 11:56:18,478 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-04 11:56:18,487 - INFO - number of entries in Hamiltonian_features.csv:  152
-2024-12-04 11:56:18,487 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-04 11:56:18,487 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-04 11:56:18,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-04 11:56:18,487 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 11:56:18,487 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-04 11:56:18,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,489 - INFO - number of orbitals:  118
-2024-12-04 11:56:18,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 11:56:18,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 11:56:18,489 - INFO - moving on ...
-2024-12-04 11:56:18,489 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-04 11:56:18,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 11:56:18,490 - INFO - attempting to process the Hamiltonian...
-2024-12-04 11:56:18,490 - INFO - number of supporting files: 2
-2024-12-04 11:56:18,490 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-04 11:56:18,490 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-04 11:56:18,490 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-04 11:56:18,500 - INFO - number of entries in Hamiltonian_features.csv:  152
-2024-12-04 11:56:18,500 - INFO - did NOT find instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 in database.
-2024-12-04 11:56:18,500 - INFO - Processing instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 ...
-2024-12-04 11:56:18,500 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz...
-2024-12-04 11:56:18,505 - INFO - Connected (version 2.0, client 0)
-2024-12-04 11:56:19,069 - INFO - Authentication (publickey) successful!
-2024-12-04 11:56:19,092 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 11:56:21,130 - INFO - [chan 0] sftp session closed.
-2024-12-04 11:56:21,130 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 11:56:21,130 - INFO - decompressing file fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz...
-2024-12-04 11:56:21,705 - INFO - this script has been running for 1.83 hours.
-2024-12-04 11:56:21,705 - INFO - ===============================================
-2024-12-04 11:56:21,705 - INFO - calculating Hamiltonian features...
-2024-12-04 11:56:21,705 - INFO - reading data from fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008
-2024-12-04 11:56:26,611 - INFO - finished reading FCIDUMP data.
-2024-12-04 11:56:26,611 - INFO - data['NORB']: 68
-2024-12-04 11:56:26,611 - INFO - len(data['H1']): 68
-2024-12-04 11:56:26,611 - INFO - ao2mo.restore...
-2024-12-04 11:56:26,646 - INFO - done.
-2024-12-04 11:56:26,646 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 11:56:26,646 - INFO - done.
-2024-12-04 11:56:26,646 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 12:26:55,862 - INFO - done.
-2024-12-04 12:26:55,862 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 12:28:41,678 - INFO - done.
-2024-12-04 12:28:41,678 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 12:28:49,356 - INFO - done.
-2024-12-04 12:28:49,356 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 12:28:53,634 - INFO - done.
-2024-12-04 12:28:53,635 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 12:28:53,641 - INFO - done.
-2024-12-04 12:28:53,641 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 12:28:53,641 - INFO - done.
-2024-12-04 12:28:54,680 - INFO - Hamiltonian features calculation run time (seconds): 1952.975302
-2024-12-04 12:28:54,680 - INFO - wrote df_eigs to file: df_eigs.c288da42-cf53-4437-a310-24bf3e35e008.bin
-2024-12-04 12:28:54,682 - INFO - deleting file fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-04 12:28:54,696 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 12:28:54,703 - INFO - this script has been running for 2.37 hours.
-2024-12-04 12:28:54,703 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-04 12:28:54,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-04 12:28:54,703 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 12:28:54,703 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-04 12:28:54,703 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-04 12:28:54,703 - INFO - problem_instance short name: ru_mono
-2024-12-04 12:28:54,703 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 12:28:54,703 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-04 12:28:54,703 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 12:28:54,703 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 12:28:54,704 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 12:28:54,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,705 - INFO - attempting to process the Hamiltonian...
-2024-12-04 12:28:54,705 - INFO - number of supporting files: 1
-2024-12-04 12:28:54,706 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-04 12:28:54,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-04 12:28:54,706 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-04 12:28:54,714 - INFO - number of entries in Hamiltonian_features.csv:  153
-2024-12-04 12:28:54,715 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-04 12:28:54,715 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-04 12:28:54,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 12:28:54,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 12:28:54,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 12:28:54,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,717 - INFO - attempting to process the Hamiltonian...
-2024-12-04 12:28:54,717 - INFO - number of supporting files: 1
-2024-12-04 12:28:54,717 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-04 12:28:54,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-04 12:28:54,717 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-04 12:28:54,726 - INFO - number of entries in Hamiltonian_features.csv:  153
-2024-12-04 12:28:54,726 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-04 12:28:54,726 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-04 12:28:54,727 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 12:28:54,727 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 12:28:54,727 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 12:28:54,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,728 - INFO - attempting to process the Hamiltonian...
-2024-12-04 12:28:54,728 - INFO - number of supporting files: 1
-2024-12-04 12:28:54,728 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-04 12:28:54,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-04 12:28:54,729 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-04 12:28:54,737 - INFO - number of entries in Hamiltonian_features.csv:  153
-2024-12-04 12:28:54,738 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-04 12:28:54,738 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-04 12:28:54,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 12:28:54,738 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 12:28:54,738 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 12:28:54,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,739 - INFO - attempting to process the Hamiltonian...
-2024-12-04 12:28:54,740 - INFO - number of supporting files: 1
-2024-12-04 12:28:54,740 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-04 12:28:54,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-04 12:28:54,740 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-04 12:28:54,748 - INFO - number of entries in Hamiltonian_features.csv:  153
-2024-12-04 12:28:54,749 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-04 12:28:54,749 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-04 12:28:54,749 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 12:28:54,749 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 12:28:54,749 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 12:28:54,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,751 - INFO - attempting to process the Hamiltonian...
-2024-12-04 12:28:54,751 - INFO - number of supporting files: 1
-2024-12-04 12:28:54,751 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-04 12:28:54,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-04 12:28:54,751 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-04 12:28:54,760 - INFO - number of entries in Hamiltonian_features.csv:  153
-2024-12-04 12:28:54,760 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-04 12:28:54,761 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-04 12:28:54,761 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 12:28:54,761 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 12:28:54,761 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 12:28:54,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,762 - INFO - attempting to process the Hamiltonian...
-2024-12-04 12:28:54,763 - INFO - number of supporting files: 1
-2024-12-04 12:28:54,763 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-04 12:28:54,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-04 12:28:54,763 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-04 12:28:54,772 - INFO - number of entries in Hamiltonian_features.csv:  153
-2024-12-04 12:28:54,772 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-04 12:28:54,772 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-04 12:28:54,772 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-04 12:28:54,772 - INFO - problem_instance short name: h_f_0
-2024-12-04 12:28:54,772 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 12:28:54,772 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-04 12:28:54,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,774 - INFO - attempting to process the Hamiltonian...
-2024-12-04 12:28:54,774 - INFO - number of supporting files: 2
-2024-12-04 12:28:54,774 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-04 12:28:54,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-04 12:28:54,774 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-04 12:28:54,783 - INFO - number of entries in Hamiltonian_features.csv:  153
-2024-12-04 12:28:54,783 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-04 12:28:54,783 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-04 12:28:54,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-04 12:28:54,783 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 12:28:54,783 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-04 12:28:54,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,784 - INFO - number of orbitals:  85
-2024-12-04 12:28:54,784 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 12:28:54,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 12:28:54,785 - INFO - moving on ...
-2024-12-04 12:28:54,785 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-04 12:28:54,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,786 - INFO - attempting to process the Hamiltonian...
-2024-12-04 12:28:54,786 - INFO - number of supporting files: 2
-2024-12-04 12:28:54,786 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-04 12:28:54,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-04 12:28:54,786 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-04 12:28:54,795 - INFO - number of entries in Hamiltonian_features.csv:  153
-2024-12-04 12:28:54,795 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-04 12:28:54,796 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-04 12:28:54,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-04 12:28:54,796 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 12:28:54,796 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-04 12:28:54,796 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-04 12:28:54,796 - INFO - problem_instance short name: planted_solution_0004
-2024-12-04 12:28:54,796 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 12:28:54,796 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-04 12:28:54,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 12:28:54,797 - INFO - attempting to process the Hamiltonian...
-2024-12-04 12:28:54,797 - INFO - number of supporting files: 1
-2024-12-04 12:28:54,797 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-04 12:28:54,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-04 12:28:54,798 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-04 12:28:54,807 - INFO - number of entries in Hamiltonian_features.csv:  153
-2024-12-04 12:28:54,807 - INFO - did NOT find instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 in database.
-2024-12-04 12:28:54,807 - INFO - Processing instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 ...
-2024-12-04 12:28:54,807 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz...
-2024-12-04 12:28:54,812 - INFO - Connected (version 2.0, client 0)
-2024-12-04 12:28:55,383 - INFO - Authentication (publickey) successful!
-2024-12-04 12:28:55,407 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 12:28:59,924 - INFO - [chan 0] sftp session closed.
-2024-12-04 12:28:59,925 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 12:28:59,925 - INFO - decompressing file fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz...
-2024-12-04 12:29:00,741 - INFO - this script has been running for 2.38 hours.
-2024-12-04 12:29:00,741 - INFO - ===============================================
-2024-12-04 12:29:00,741 - INFO - calculating Hamiltonian features...
-2024-12-04 12:29:00,741 - INFO - reading data from fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4
-2024-12-04 12:29:06,774 - INFO - finished reading FCIDUMP data.
-2024-12-04 12:29:06,774 - INFO - data['NORB']: 70
-2024-12-04 12:29:06,774 - INFO - len(data['H1']): 70
-2024-12-04 12:29:06,774 - INFO - ao2mo.restore...
-2024-12-04 12:29:06,811 - INFO - done.
-2024-12-04 12:29:06,811 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 12:29:06,811 - INFO - done.
-2024-12-04 12:29:06,812 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 14:10:14,399 - INFO - done.
-2024-12-04 14:10:14,399 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 14:19:43,651 - INFO - done.
-2024-12-04 14:19:43,651 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 14:20:53,527 - INFO - done.
-2024-12-04 14:20:53,527 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 14:20:58,193 - INFO - done.
-2024-12-04 14:20:58,193 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 14:20:58,194 - INFO - done.
-2024-12-04 14:20:58,194 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 14:20:58,194 - INFO - done.
-2024-12-04 14:21:03,286 - INFO - Hamiltonian features calculation run time (seconds): 6722.545294
-2024-12-04 14:21:03,287 - INFO - wrote df_eigs to file: df_eigs.52ddfe55-8758-448b-a6b1-3afdab85fdf4.bin
-2024-12-04 14:21:03,287 - INFO - deleting file fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-04 14:21:03,302 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 14:21:03,305 - INFO - this script has been running for 4.24 hours.
-2024-12-04 14:21:03,305 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-04 14:21:03,305 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-04 14:21:03,305 - INFO - problem_instance short name: h2_o2_0
-2024-12-04 14:21:03,305 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,305 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-04 14:21:03,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,307 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,307 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,307 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-04 14:21:03,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-04 14:21:03,307 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-04 14:21:03,316 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,316 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,316 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-04 14:21:03,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-04 14:21:03,317 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,317 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-04 14:21:03,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,318 - INFO - number of orbitals:  88
-2024-12-04 14:21:03,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,318 - INFO - moving on ...
-2024-12-04 14:21:03,318 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-04 14:21:03,318 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-04 14:21:03,318 - INFO - problem_instance short name: n2_0
-2024-12-04 14:21:03,318 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,318 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-04 14:21:03,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,320 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,320 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,320 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-04 14:21:03,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-04 14:21:03,320 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-04 14:21:03,329 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,329 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,329 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-04 14:21:03,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-04 14:21:03,329 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,329 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-04 14:21:03,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,330 - INFO - number of orbitals:  110
-2024-12-04 14:21:03,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,330 - INFO - moving on ...
-2024-12-04 14:21:03,330 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-04 14:21:03,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,332 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,332 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,332 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-04 14:21:03,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-04 14:21:03,332 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-04 14:21:03,341 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,341 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,341 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-04 14:21:03,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-04 14:21:03,341 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,341 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-04 14:21:03,341 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-04 14:21:03,342 - INFO - problem_instance short name: Fe_1
-2024-12-04 14:21:03,342 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,342 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-04 14:21:03,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,343 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,343 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,343 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-04 14:21:03,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-04 14:21:03,343 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-04 14:21:03,352 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,352 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,352 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-04 14:21:03,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-04 14:21:03,352 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,352 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-04 14:21:03,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,354 - INFO - number of orbitals:  88
-2024-12-04 14:21:03,354 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,354 - INFO - moving on ...
-2024-12-04 14:21:03,354 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-04 14:21:03,354 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-04 14:21:03,354 - INFO - problem_instance short name: n2_h4_0
-2024-12-04 14:21:03,354 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,354 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-04 14:21:03,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,355 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,356 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,356 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-04 14:21:03,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-04 14:21:03,356 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-04 14:21:03,364 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,365 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,365 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-04 14:21:03,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-04 14:21:03,365 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,365 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-04 14:21:03,365 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-04 14:21:03,365 - INFO - problem_instance short name: s_o2_0
-2024-12-04 14:21:03,365 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,365 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-04 14:21:03,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,366 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,367 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,367 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-04 14:21:03,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-04 14:21:03,367 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-04 14:21:03,375 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,376 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,376 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-04 14:21:03,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-04 14:21:03,376 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,376 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-04 14:21:03,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,377 - INFO - number of orbitals:  94
-2024-12-04 14:21:03,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,378 - INFO - moving on ...
-2024-12-04 14:21:03,378 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-04 14:21:03,378 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-04 14:21:03,378 - INFO - problem_instance short name: fe_red
-2024-12-04 14:21:03,378 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,378 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-04 14:21:03,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,380 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,380 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,380 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-04 14:21:03,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-04 14:21:03,380 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-04 14:21:03,389 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,389 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,389 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-04 14:21:03,389 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,389 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,389 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,391 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,391 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,391 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-04 14:21:03,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-04 14:21:03,391 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-04 14:21:03,400 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,400 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,400 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-04 14:21:03,400 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,401 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,402 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,402 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,403 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-04 14:21:03,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-04 14:21:03,403 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-04 14:21:03,412 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,412 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,412 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-04 14:21:03,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,413 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,413 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,415 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,415 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,415 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-04 14:21:03,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-04 14:21:03,415 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-04 14:21:03,424 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,425 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,425 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-04 14:21:03,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,427 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,427 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,427 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-04 14:21:03,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-04 14:21:03,427 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-04 14:21:03,437 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,437 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,437 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-04 14:21:03,437 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,437 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,437 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,439 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,439 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,439 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-04 14:21:03,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-04 14:21:03,439 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-04 14:21:03,448 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,449 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,449 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-04 14:21:03,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,451 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,451 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,451 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-04 14:21:03,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-04 14:21:03,451 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-04 14:21:03,460 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,461 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,461 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-04 14:21:03,461 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,461 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,461 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,463 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,463 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,463 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-04 14:21:03,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-04 14:21:03,463 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-04 14:21:03,472 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,473 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,473 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-04 14:21:03,473 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,473 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,473 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,475 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,475 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,475 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-04 14:21:03,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-04 14:21:03,475 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-04 14:21:03,485 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,485 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,485 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-04 14:21:03,485 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-04 14:21:03,485 - INFO - problem_instance short name: Fe_0
-2024-12-04 14:21:03,485 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,485 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-04 14:21:03,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,487 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,487 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,487 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-04 14:21:03,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-04 14:21:03,487 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-04 14:21:03,496 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,497 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,497 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-04 14:21:03,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-04 14:21:03,497 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,497 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-04 14:21:03,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,498 - INFO - number of orbitals:  88
-2024-12-04 14:21:03,498 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,498 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,498 - INFO - moving on ...
-2024-12-04 14:21:03,498 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-04 14:21:03,499 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-04 14:21:03,499 - INFO - problem_instance short name: MnO_0
-2024-12-04 14:21:03,499 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,499 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-04 14:21:03,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,500 - INFO - number of orbitals:  76
-2024-12-04 14:21:03,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,500 - INFO - moving on ...
-2024-12-04 14:21:03,500 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-04 14:21:03,500 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-04 14:21:03,500 - INFO - problem_instance short name: n_h3_0
-2024-12-04 14:21:03,500 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,500 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-04 14:21:03,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,502 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,502 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,502 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-04 14:21:03,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-04 14:21:03,502 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-04 14:21:03,511 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,511 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,512 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-04 14:21:03,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-04 14:21:03,512 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,512 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-04 14:21:03,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,513 - INFO - number of orbitals:  72
-2024-12-04 14:21:03,513 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,513 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,513 - INFO - moving on ...
-2024-12-04 14:21:03,513 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-04 14:21:03,514 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-04 14:21:03,514 - INFO - problem_instance short name: ru_macho
-2024-12-04 14:21:03,514 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,514 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-04 14:21:03,514 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,514 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,514 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,516 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,516 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,516 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-04 14:21:03,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-04 14:21:03,516 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-04 14:21:03,525 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,525 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,526 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-04 14:21:03,526 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,526 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,526 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,528 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,528 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,528 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-04 14:21:03,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-04 14:21:03,528 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-04 14:21:03,538 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,538 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,538 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-04 14:21:03,538 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,538 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,538 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,540 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,540 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,540 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-04 14:21:03,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-04 14:21:03,540 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-04 14:21:03,549 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,550 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,550 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-04 14:21:03,550 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,552 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,552 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,552 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-04 14:21:03,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-04 14:21:03,552 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-04 14:21:03,561 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,561 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,561 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-04 14:21:03,561 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,561 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,561 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,563 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,563 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,563 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-04 14:21:03,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-04 14:21:03,563 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-04 14:21:03,573 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,573 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,573 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-04 14:21:03,573 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,573 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,573 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,575 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,575 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,575 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-04 14:21:03,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-04 14:21:03,575 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-04 14:21:03,584 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,584 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,584 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-04 14:21:03,584 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,584 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,584 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,586 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,586 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,586 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-04 14:21:03,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-04 14:21:03,586 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-04 14:21:03,594 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,595 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,595 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-04 14:21:03,595 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,595 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,595 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,597 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,597 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,597 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-04 14:21:03,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-04 14:21:03,597 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-04 14:21:03,607 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,607 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,607 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-04 14:21:03,607 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,607 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,607 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,609 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,609 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,609 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-04 14:21:03,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-04 14:21:03,609 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-04 14:21:03,618 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,618 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,618 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-04 14:21:03,618 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-04 14:21:03,618 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-04 14:21:03,619 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,619 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-04 14:21:03,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,620 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,620 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,620 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-04 14:21:03,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-04 14:21:03,620 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-04 14:21:03,629 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,629 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,629 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-04 14:21:03,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-04 14:21:03,629 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,629 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-04 14:21:03,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,630 - INFO - number of orbitals:  116
-2024-12-04 14:21:03,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,630 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,630 - INFO - moving on ...
-2024-12-04 14:21:03,630 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-04 14:21:03,631 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-04 14:21:03,631 - INFO - problem_instance short name: mn_mono
-2024-12-04 14:21:03,631 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,631 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-04 14:21:03,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,631 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,631 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,633 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,633 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,633 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-04 14:21:03,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-04 14:21:03,633 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-04 14:21:03,642 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,642 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,642 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-04 14:21:03,642 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,642 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,642 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,644 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,644 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,644 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-04 14:21:03,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-04 14:21:03,644 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-04 14:21:03,653 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,653 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,653 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-04 14:21:03,653 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,653 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,653 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,655 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,655 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,655 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-04 14:21:03,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-04 14:21:03,655 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-04 14:21:03,664 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,664 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,664 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-04 14:21:03,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,666 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,666 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,666 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-04 14:21:03,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-04 14:21:03,666 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-04 14:21:03,675 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,675 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,675 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-04 14:21:03,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,675 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,675 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,677 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,677 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,677 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-04 14:21:03,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-04 14:21:03,677 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-04 14:21:03,686 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,686 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,686 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-04 14:21:03,686 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,686 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,686 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,688 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,688 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,688 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-04 14:21:03,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-04 14:21:03,688 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-04 14:21:03,697 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,697 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,697 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-04 14:21:03,697 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,697 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,697 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,699 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,699 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,699 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-04 14:21:03,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-04 14:21:03,699 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-04 14:21:03,708 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,709 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,709 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-04 14:21:03,709 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,709 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,709 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,710 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,710 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,710 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-04 14:21:03,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-04 14:21:03,711 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-04 14:21:03,719 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,719 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,719 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-04 14:21:03,719 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-04 14:21:03,719 - INFO - problem_instance short name: Sc_0
-2024-12-04 14:21:03,719 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,720 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-04 14:21:03,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,721 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,721 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,721 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-04 14:21:03,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-04 14:21:03,721 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-04 14:21:03,729 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,730 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,730 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-04 14:21:03,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-04 14:21:03,730 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,730 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-04 14:21:03,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,731 - INFO - number of orbitals:  135
-2024-12-04 14:21:03,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,731 - INFO - moving on ...
-2024-12-04 14:21:03,731 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-04 14:21:03,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,732 - INFO - number of orbitals:  88
-2024-12-04 14:21:03,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,732 - INFO - moving on ...
-2024-12-04 14:21:03,732 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-04 14:21:03,733 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-04 14:21:03,733 - INFO - problem_instance short name: planted_solution_0001
-2024-12-04 14:21:03,733 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,733 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-04 14:21:03,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,734 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,734 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,734 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-04 14:21:03,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-04 14:21:03,734 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-04 14:21:03,743 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,743 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,743 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-04 14:21:03,743 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-04 14:21:03,743 - INFO - problem_instance short name: h2_c_o_0
-2024-12-04 14:21:03,743 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,743 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-04 14:21:03,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,745 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,745 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,745 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-04 14:21:03,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-04 14:21:03,745 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-04 14:21:03,754 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,754 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,754 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-04 14:21:03,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-04 14:21:03,754 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,754 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-04 14:21:03,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,755 - INFO - number of orbitals:  88
-2024-12-04 14:21:03,755 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,755 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,755 - INFO - moving on ...
-2024-12-04 14:21:03,755 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-04 14:21:03,756 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-04 14:21:03,756 - INFO - problem_instance short name: li2_0
-2024-12-04 14:21:03,756 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,756 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-04 14:21:03,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,757 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,757 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,757 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-04 14:21:03,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-04 14:21:03,757 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-04 14:21:03,766 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,766 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,766 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-04 14:21:03,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-04 14:21:03,766 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,766 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-04 14:21:03,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,767 - INFO - number of orbitals:  110
-2024-12-04 14:21:03,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,767 - INFO - moving on ...
-2024-12-04 14:21:03,767 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-04 14:21:03,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,769 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,769 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,769 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-04 14:21:03,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-04 14:21:03,769 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-04 14:21:03,777 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,778 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,778 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-04 14:21:03,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-04 14:21:03,778 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,778 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-04 14:21:03,778 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-04 14:21:03,778 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-04 14:21:03,778 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,778 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-04 14:21:03,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,779 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,780 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,780 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-04 14:21:03,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-04 14:21:03,780 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-04 14:21:03,788 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,789 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,789 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-04 14:21:03,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-04 14:21:03,789 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,789 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-04 14:21:03,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,790 - INFO - number of orbitals:  106
-2024-12-04 14:21:03,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,790 - INFO - moving on ...
-2024-12-04 14:21:03,790 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-04 14:21:03,791 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-04 14:21:03,791 - INFO - problem_instance short name: Ti_1
-2024-12-04 14:21:03,791 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,791 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-04 14:21:03,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,792 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,792 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,792 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-04 14:21:03,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-04 14:21:03,792 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-04 14:21:03,801 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,801 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,801 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-04 14:21:03,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-04 14:21:03,801 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,802 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-04 14:21:03,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,803 - INFO - number of orbitals:  88
-2024-12-04 14:21:03,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,803 - INFO - moving on ...
-2024-12-04 14:21:03,803 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-04 14:21:03,803 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-04 14:21:03,803 - INFO - problem_instance short name: planted_solution_0010
-2024-12-04 14:21:03,803 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,803 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-04 14:21:03,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,804 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,804 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,804 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-04 14:21:03,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-04 14:21:03,804 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-04 14:21:03,813 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,813 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,813 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-04 14:21:03,814 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-04 14:21:03,814 - INFO - problem_instance short name: f2_0
-2024-12-04 14:21:03,814 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,814 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-04 14:21:03,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,815 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,815 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,815 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-04 14:21:03,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-04 14:21:03,815 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-04 14:21:03,824 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,824 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,824 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-04 14:21:03,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-04 14:21:03,824 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,824 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-04 14:21:03,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,826 - INFO - number of orbitals:  110
-2024-12-04 14:21:03,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,826 - INFO - moving on ...
-2024-12-04 14:21:03,826 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-04 14:21:03,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,827 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,827 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,827 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-04 14:21:03,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-04 14:21:03,827 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-04 14:21:03,836 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,836 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,836 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-04 14:21:03,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-04 14:21:03,836 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,836 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-04 14:21:03,836 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-04 14:21:03,837 - INFO - problem_instance short name: c2_h6_0
-2024-12-04 14:21:03,837 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,837 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-04 14:21:03,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,838 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,838 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,838 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-04 14:21:03,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-04 14:21:03,838 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-04 14:21:03,847 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,847 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,847 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-04 14:21:03,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-04 14:21:03,847 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,847 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-04 14:21:03,847 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-04 14:21:03,848 - INFO - problem_instance short name: benzene
-2024-12-04 14:21:03,848 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,848 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-04 14:21:03,848 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,848 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,848 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,849 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,849 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,849 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-04 14:21:03,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-04 14:21:03,850 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-04 14:21:03,858 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,859 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,859 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-04 14:21:03,859 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,859 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,859 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,861 - INFO - number of orbitals:  108
-2024-12-04 14:21:03,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,861 - INFO - moving on ...
-2024-12-04 14:21:03,861 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-04 14:21:03,861 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-04 14:21:03,861 - INFO - problem_instance short name: li_f_0
-2024-12-04 14:21:03,861 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,861 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-04 14:21:03,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,862 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,862 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,862 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-04 14:21:03,862 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-04 14:21:03,863 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-04 14:21:03,872 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,872 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,872 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-04 14:21:03,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-04 14:21:03,872 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,872 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-04 14:21:03,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,873 - INFO - number of orbitals:  110
-2024-12-04 14:21:03,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,873 - INFO - moving on ...
-2024-12-04 14:21:03,873 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-04 14:21:03,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,875 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,875 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,875 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-04 14:21:03,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-04 14:21:03,875 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-04 14:21:03,883 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,883 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,883 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-04 14:21:03,883 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-04 14:21:03,883 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,883 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-04 14:21:03,884 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-04 14:21:03,884 - INFO - problem_instance short name: li_h_0
-2024-12-04 14:21:03,884 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,884 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-04 14:21:03,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,885 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,885 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,885 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-04 14:21:03,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-04 14:21:03,885 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-04 14:21:03,893 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,894 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,894 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-04 14:21:03,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-04 14:21:03,894 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,894 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-04 14:21:03,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,895 - INFO - number of orbitals:  85
-2024-12-04 14:21:03,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,895 - INFO - moving on ...
-2024-12-04 14:21:03,895 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-04 14:21:03,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,896 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,896 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,896 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-04 14:21:03,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-04 14:21:03,896 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-04 14:21:03,905 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,905 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,905 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-04 14:21:03,905 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-04 14:21:03,905 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,905 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-04 14:21:03,906 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-04 14:21:03,906 - INFO - problem_instance short name: si_o_0
-2024-12-04 14:21:03,906 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,906 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-04 14:21:03,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,907 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,907 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,907 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-04 14:21:03,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-04 14:21:03,907 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-04 14:21:03,915 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,916 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,916 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-04 14:21:03,916 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-04 14:21:03,916 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,916 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-04 14:21:03,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,917 - INFO - number of orbitals:  114
-2024-12-04 14:21:03,917 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,917 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,917 - INFO - moving on ...
-2024-12-04 14:21:03,917 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-04 14:21:03,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,918 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,918 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,918 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-04 14:21:03,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-04 14:21:03,919 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-04 14:21:03,927 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,927 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,927 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-04 14:21:03,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-04 14:21:03,927 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,927 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-04 14:21:03,927 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-04 14:21:03,927 - INFO - problem_instance short name: h2_s_0
-2024-12-04 14:21:03,928 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,928 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-04 14:21:03,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,929 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,929 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,929 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-04 14:21:03,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-04 14:21:03,929 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-04 14:21:03,937 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,938 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,938 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-04 14:21:03,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-04 14:21:03,938 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,938 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-04 14:21:03,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,939 - INFO - number of orbitals:  119
-2024-12-04 14:21:03,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,939 - INFO - moving on ...
-2024-12-04 14:21:03,939 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-04 14:21:03,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,940 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,940 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,940 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-04 14:21:03,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-04 14:21:03,941 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-04 14:21:03,949 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,950 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,950 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-04 14:21:03,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-04 14:21:03,950 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,950 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-04 14:21:03,950 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-04 14:21:03,950 - INFO - problem_instance short name: Cu_1
-2024-12-04 14:21:03,950 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,950 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-04 14:21:03,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,951 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,951 - INFO - number of supporting files: 2
-2024-12-04 14:21:03,951 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-04 14:21:03,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-04 14:21:03,952 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-04 14:21:03,960 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,961 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,961 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-04 14:21:03,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-04 14:21:03,961 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 14:21:03,961 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-04 14:21:03,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,962 - INFO - number of orbitals:  88
-2024-12-04 14:21:03,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 14:21:03,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 14:21:03,962 - INFO - moving on ...
-2024-12-04 14:21:03,962 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-04 14:21:03,962 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-04 14:21:03,962 - INFO - problem_instance short name: cr_dimer
-2024-12-04 14:21:03,963 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-04 14:21:03,963 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-04 14:21:03,963 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,963 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,963 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,964 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,964 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,964 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-04 14:21:03,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-04 14:21:03,964 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-04 14:21:03,973 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,973 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,973 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-04 14:21:03,974 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,974 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,975 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,975 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,975 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-04 14:21:03,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-04 14:21:03,975 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-04 14:21:03,985 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,985 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-04 14:21:03,985 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-04 14:21:03,985 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 14:21:03,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 14:21:03,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 14:21:03,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 14:21:03,987 - INFO - attempting to process the Hamiltonian...
-2024-12-04 14:21:03,987 - INFO - number of supporting files: 1
-2024-12-04 14:21:03,987 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-04 14:21:03,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-04 14:21:03,987 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-04 14:21:03,996 - INFO - number of entries in Hamiltonian_features.csv:  154
-2024-12-04 14:21:03,997 - INFO - did NOT find instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 in database.
-2024-12-04 14:21:03,997 - INFO - Processing instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 ...
-2024-12-04 14:21:03,997 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz...
-2024-12-04 14:21:04,002 - INFO - Connected (version 2.0, client 0)
-2024-12-04 14:21:04,516 - INFO - Authentication (publickey) successful!
-2024-12-04 14:21:04,542 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 14:21:08,146 - INFO - [chan 0] sftp session closed.
-2024-12-04 14:21:08,146 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 14:21:08,146 - INFO - decompressing file FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz...
-2024-12-04 14:21:08,840 - INFO - this script has been running for 4.24 hours.
-2024-12-04 14:21:08,840 - INFO - ===============================================
-2024-12-04 14:21:08,840 - INFO - calculating Hamiltonian features...
-2024-12-04 14:21:08,840 - INFO - reading data from FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070
-2024-12-04 14:21:14,837 - INFO - finished reading FCIDUMP data.
-2024-12-04 14:21:14,837 - INFO - data['NORB']: 68
-2024-12-04 14:21:14,837 - INFO - len(data['H1']): 68
-2024-12-04 14:21:14,837 - INFO - ao2mo.restore...
-2024-12-04 14:21:14,868 - INFO - done.
-2024-12-04 14:21:14,868 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 14:21:14,868 - INFO - done.
-2024-12-04 14:21:14,868 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 15:39:15,832 - INFO - done.
-2024-12-04 15:39:15,833 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 15:41:03,790 - INFO - done.
-2024-12-04 15:41:03,790 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 15:41:12,599 - INFO - done.
-2024-12-04 15:41:12,599 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 15:41:16,755 - INFO - done.
-2024-12-04 15:41:16,755 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 15:41:16,755 - INFO - done.
-2024-12-04 15:41:16,756 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 15:41:16,756 - INFO - done.
-2024-12-04 15:41:18,029 - INFO - Hamiltonian features calculation run time (seconds): 4809.189416
-2024-12-04 15:41:18,030 - INFO - wrote df_eigs to file: df_eigs.673dfe91-d90e-4ecd-8560-d6d74de11070.bin
-2024-12-04 15:41:18,030 - INFO - deleting file FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-04 15:41:18,047 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 15:41:18,055 - INFO - this script has been running for 5.58 hours.
-2024-12-04 15:41:18,055 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-04 15:41:18,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 15:41:18,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 15:41:18,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 15:41:18,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 15:41:18,058 - INFO - number of orbitals:  76
-2024-12-04 15:41:18,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 15:41:18,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 15:41:18,058 - INFO - moving on ...
-2024-12-04 15:41:18,058 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-04 15:41:18,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 15:41:18,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 15:41:18,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 15:41:18,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 15:41:18,060 - INFO - attempting to process the Hamiltonian...
-2024-12-04 15:41:18,060 - INFO - number of supporting files: 1
-2024-12-04 15:41:18,060 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-04 15:41:18,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-04 15:41:18,060 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-04 15:41:18,070 - INFO - number of entries in Hamiltonian_features.csv:  155
-2024-12-04 15:41:18,071 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-04 15:41:18,071 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-04 15:41:18,071 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 15:41:18,071 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 15:41:18,071 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 15:41:18,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 15:41:18,073 - INFO - attempting to process the Hamiltonian...
-2024-12-04 15:41:18,073 - INFO - number of supporting files: 1
-2024-12-04 15:41:18,073 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-04 15:41:18,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-04 15:41:18,073 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-04 15:41:18,083 - INFO - number of entries in Hamiltonian_features.csv:  155
-2024-12-04 15:41:18,083 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-04 15:41:18,083 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-04 15:41:18,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 15:41:18,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 15:41:18,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 15:41:18,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 15:41:18,085 - INFO - attempting to process the Hamiltonian...
-2024-12-04 15:41:18,086 - INFO - number of supporting files: 1
-2024-12-04 15:41:18,086 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-04 15:41:18,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-04 15:41:18,086 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-04 15:41:18,095 - INFO - number of entries in Hamiltonian_features.csv:  155
-2024-12-04 15:41:18,096 - INFO - did NOT find instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 in database.
-2024-12-04 15:41:18,096 - INFO - Processing instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 ...
-2024-12-04 15:41:18,096 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz...
-2024-12-04 15:41:18,103 - INFO - Connected (version 2.0, client 0)
-2024-12-04 15:41:18,615 - INFO - Authentication (publickey) successful!
-2024-12-04 15:41:18,643 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 15:41:22,454 - INFO - [chan 0] sftp session closed.
-2024-12-04 15:41:22,454 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 15:41:22,455 - INFO - decompressing file FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz...
-2024-12-04 15:41:23,254 - INFO - this script has been running for 5.58 hours.
-2024-12-04 15:41:23,254 - INFO - ===============================================
-2024-12-04 15:41:23,254 - INFO - calculating Hamiltonian features...
-2024-12-04 15:41:23,254 - INFO - reading data from FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63
-2024-12-04 15:41:29,813 - INFO - finished reading FCIDUMP data.
-2024-12-04 15:41:29,813 - INFO - data['NORB']: 68
-2024-12-04 15:41:29,813 - INFO - len(data['H1']): 68
-2024-12-04 15:41:29,813 - INFO - ao2mo.restore...
-2024-12-04 15:41:29,848 - INFO - done.
-2024-12-04 15:41:29,848 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 15:41:29,848 - INFO - done.
-2024-12-04 15:41:29,848 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 16:58:21,507 - INFO - done.
-2024-12-04 16:58:21,507 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 17:00:11,226 - INFO - done.
-2024-12-04 17:00:11,226 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 17:00:24,178 - INFO - done.
-2024-12-04 17:00:24,178 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 17:00:28,456 - INFO - done.
-2024-12-04 17:00:28,456 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 17:00:28,456 - INFO - done.
-2024-12-04 17:00:28,456 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 17:00:28,456 - INFO - done.
-2024-12-04 17:00:29,751 - INFO - Hamiltonian features calculation run time (seconds): 4746.497006
-2024-12-04 17:00:29,752 - INFO - wrote df_eigs to file: df_eigs.5439a548-153b-4990-be12-f0e33c30fe63.bin
-2024-12-04 17:00:29,752 - INFO - deleting file FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-04 17:00:29,769 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 17:00:29,777 - INFO - this script has been running for 6.90 hours.
-2024-12-04 17:00:29,777 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-04 17:00:29,777 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 17:00:29,777 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 17:00:29,777 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 17:00:29,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 17:00:29,779 - INFO - number of orbitals:  76
-2024-12-04 17:00:29,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 17:00:29,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 17:00:29,779 - INFO - moving on ...
-2024-12-04 17:00:29,779 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-04 17:00:29,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 17:00:29,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 17:00:29,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 17:00:29,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 17:00:29,781 - INFO - attempting to process the Hamiltonian...
-2024-12-04 17:00:29,781 - INFO - number of supporting files: 1
-2024-12-04 17:00:29,781 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-04 17:00:29,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-04 17:00:29,781 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-04 17:00:29,791 - INFO - number of entries in Hamiltonian_features.csv:  156
-2024-12-04 17:00:29,791 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-04 17:00:29,791 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-04 17:00:29,791 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 17:00:29,792 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 17:00:29,792 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 17:00:29,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 17:00:29,793 - INFO - attempting to process the Hamiltonian...
-2024-12-04 17:00:29,793 - INFO - number of supporting files: 1
-2024-12-04 17:00:29,794 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-04 17:00:29,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-04 17:00:29,794 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-04 17:00:29,803 - INFO - number of entries in Hamiltonian_features.csv:  156
-2024-12-04 17:00:29,803 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-04 17:00:29,803 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-04 17:00:29,804 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 17:00:29,804 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 17:00:29,804 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 17:00:29,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 17:00:29,806 - INFO - attempting to process the Hamiltonian...
-2024-12-04 17:00:29,806 - INFO - number of supporting files: 1
-2024-12-04 17:00:29,806 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-04 17:00:29,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-04 17:00:29,806 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-04 17:00:29,815 - INFO - number of entries in Hamiltonian_features.csv:  156
-2024-12-04 17:00:29,815 - INFO - did NOT find instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 in database.
-2024-12-04 17:00:29,815 - INFO - Processing instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 ...
-2024-12-04 17:00:29,815 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz...
-2024-12-04 17:00:29,822 - INFO - Connected (version 2.0, client 0)
-2024-12-04 17:00:30,332 - INFO - Authentication (publickey) successful!
-2024-12-04 17:00:30,350 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 17:00:33,543 - INFO - [chan 0] sftp session closed.
-2024-12-04 17:00:33,543 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 17:00:33,543 - INFO - decompressing file FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz...
-2024-12-04 17:00:34,300 - INFO - this script has been running for 6.90 hours.
-2024-12-04 17:00:34,300 - INFO - ===============================================
-2024-12-04 17:00:34,300 - INFO - calculating Hamiltonian features...
-2024-12-04 17:00:34,300 - INFO - reading data from FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4
-2024-12-04 17:00:40,478 - INFO - finished reading FCIDUMP data.
-2024-12-04 17:00:40,478 - INFO - data['NORB']: 68
-2024-12-04 17:00:40,478 - INFO - len(data['H1']): 68
-2024-12-04 17:00:40,478 - INFO - ao2mo.restore...
-2024-12-04 17:00:40,512 - INFO - done.
-2024-12-04 17:00:40,512 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 17:00:40,513 - INFO - done.
-2024-12-04 17:00:40,513 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 18:17:43,783 - INFO - done.
-2024-12-04 18:17:43,783 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 18:20:01,520 - INFO - done.
-2024-12-04 18:20:01,520 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 18:20:17,578 - INFO - done.
-2024-12-04 18:20:17,578 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 18:20:21,774 - INFO - done.
-2024-12-04 18:20:21,774 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 18:20:21,775 - INFO - done.
-2024-12-04 18:20:21,775 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 18:20:21,775 - INFO - done.
-2024-12-04 18:20:23,512 - INFO - Hamiltonian features calculation run time (seconds): 4789.211881
-2024-12-04 18:20:23,512 - INFO - wrote df_eigs to file: df_eigs.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.bin
-2024-12-04 18:20:23,512 - INFO - deleting file FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-04 18:20:23,528 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 18:20:23,536 - INFO - this script has been running for 8.23 hours.
-2024-12-04 18:20:23,536 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-04 18:20:23,536 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 18:20:23,536 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 18:20:23,536 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 18:20:23,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,538 - INFO - number of orbitals:  76
-2024-12-04 18:20:23,538 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 18:20:23,538 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 18:20:23,538 - INFO - moving on ...
-2024-12-04 18:20:23,538 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-04 18:20:23,538 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-04 18:20:23,538 - INFO - problem_instance short name: c_o_0
-2024-12-04 18:20:23,538 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 18:20:23,538 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-04 18:20:23,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,540 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,540 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,540 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-04 18:20:23,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-04 18:20:23,540 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-04 18:20:23,550 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,551 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-04 18:20:23,551 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-04 18:20:23,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-04 18:20:23,551 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 18:20:23,551 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-04 18:20:23,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,552 - INFO - number of orbitals:  110
-2024-12-04 18:20:23,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 18:20:23,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 18:20:23,552 - INFO - moving on ...
-2024-12-04 18:20:23,552 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-04 18:20:23,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,554 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,554 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,554 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-04 18:20:23,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-04 18:20:23,554 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-04 18:20:23,563 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,563 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-04 18:20:23,564 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-04 18:20:23,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-04 18:20:23,564 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 18:20:23,564 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-04 18:20:23,564 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-04 18:20:23,564 - INFO - problem_instance short name: Sc_1
-2024-12-04 18:20:23,564 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 18:20:23,564 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-04 18:20:23,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,565 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,565 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,565 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-04 18:20:23,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-04 18:20:23,566 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-04 18:20:23,575 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,575 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-04 18:20:23,575 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-04 18:20:23,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-04 18:20:23,575 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 18:20:23,575 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-04 18:20:23,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,577 - INFO - number of orbitals:  135
-2024-12-04 18:20:23,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 18:20:23,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 18:20:23,577 - INFO - moving on ...
-2024-12-04 18:20:23,577 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-04 18:20:23,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,578 - INFO - number of orbitals:  88
-2024-12-04 18:20:23,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 18:20:23,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 18:20:23,578 - INFO - moving on ...
-2024-12-04 18:20:23,578 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-04 18:20:23,578 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-04 18:20:23,578 - INFO - problem_instance short name: c2_h2_0
-2024-12-04 18:20:23,578 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 18:20:23,578 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-04 18:20:23,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,580 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,580 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,580 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-04 18:20:23,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-04 18:20:23,580 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-04 18:20:23,590 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,590 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-04 18:20:23,590 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-04 18:20:23,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-04 18:20:23,590 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 18:20:23,590 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-04 18:20:23,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,592 - INFO - number of orbitals:  88
-2024-12-04 18:20:23,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 18:20:23,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 18:20:23,592 - INFO - moving on ...
-2024-12-04 18:20:23,592 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-04 18:20:23,592 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-04 18:20:23,592 - INFO - problem_instance short name: Mn_0
-2024-12-04 18:20:23,592 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 18:20:23,592 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-04 18:20:23,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,594 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,594 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,594 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-04 18:20:23,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-04 18:20:23,594 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-04 18:20:23,604 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,604 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-04 18:20:23,604 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-04 18:20:23,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-04 18:20:23,604 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 18:20:23,604 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-04 18:20:23,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,606 - INFO - number of orbitals:  88
-2024-12-04 18:20:23,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 18:20:23,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 18:20:23,606 - INFO - moving on ...
-2024-12-04 18:20:23,606 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-04 18:20:23,606 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-04 18:20:23,606 - INFO - problem_instance short name: V_0
-2024-12-04 18:20:23,606 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 18:20:23,606 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-04 18:20:23,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,608 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,608 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,608 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-04 18:20:23,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-04 18:20:23,608 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-04 18:20:23,618 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,618 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-04 18:20:23,618 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-04 18:20:23,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-04 18:20:23,618 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 18:20:23,618 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-04 18:20:23,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,619 - INFO - number of orbitals:  88
-2024-12-04 18:20:23,620 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 18:20:23,620 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 18:20:23,620 - INFO - moving on ...
-2024-12-04 18:20:23,620 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-04 18:20:23,620 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-04 18:20:23,620 - INFO - problem_instance short name: na_cl_0
-2024-12-04 18:20:23,620 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 18:20:23,620 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-04 18:20:23,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,621 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,621 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,621 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-04 18:20:23,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-04 18:20:23,621 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-04 18:20:23,631 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,631 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-04 18:20:23,631 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-04 18:20:23,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-04 18:20:23,632 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 18:20:23,632 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-04 18:20:23,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,633 - INFO - number of orbitals:  118
-2024-12-04 18:20:23,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 18:20:23,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 18:20:23,633 - INFO - moving on ...
-2024-12-04 18:20:23,633 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-04 18:20:23,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,634 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,634 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,634 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-04 18:20:23,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-04 18:20:23,635 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-04 18:20:23,645 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,645 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-04 18:20:23,645 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-04 18:20:23,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-04 18:20:23,645 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 18:20:23,645 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-04 18:20:23,646 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-04 18:20:23,646 - INFO - problem_instance short name: cl2_0
-2024-12-04 18:20:23,646 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 18:20:23,646 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-04 18:20:23,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,648 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,648 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,648 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-04 18:20:23,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-04 18:20:23,648 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-04 18:20:23,662 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,662 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-04 18:20:23,662 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-04 18:20:23,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-04 18:20:23,663 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 18:20:23,663 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-04 18:20:23,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,665 - INFO - number of orbitals:  118
-2024-12-04 18:20:23,665 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 18:20:23,665 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 18:20:23,665 - INFO - moving on ...
-2024-12-04 18:20:23,665 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-04 18:20:23,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 18:20:23,667 - INFO - attempting to process the Hamiltonian...
-2024-12-04 18:20:23,667 - INFO - number of supporting files: 2
-2024-12-04 18:20:23,667 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-04 18:20:23,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-04 18:20:23,667 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-04 18:20:23,677 - INFO - number of entries in Hamiltonian_features.csv:  157
-2024-12-04 18:20:23,677 - INFO - did NOT find instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a in database.
-2024-12-04 18:20:23,678 - INFO - Processing instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a ...
-2024-12-04 18:20:23,678 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz...
-2024-12-04 18:20:23,683 - INFO - Connected (version 2.0, client 0)
-2024-12-04 18:20:24,242 - INFO - Authentication (publickey) successful!
-2024-12-04 18:20:24,258 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 18:20:27,897 - INFO - [chan 0] sftp session closed.
-2024-12-04 18:20:27,897 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 18:20:27,897 - INFO - decompressing file fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz...
-2024-12-04 18:20:28,813 - INFO - this script has been running for 8.23 hours.
-2024-12-04 18:20:28,813 - INFO - ===============================================
-2024-12-04 18:20:28,813 - INFO - calculating Hamiltonian features...
-2024-12-04 18:20:28,813 - INFO - reading data from fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a
-2024-12-04 18:20:35,384 - INFO - finished reading FCIDUMP data.
-2024-12-04 18:20:35,384 - INFO - data['NORB']: 68
-2024-12-04 18:20:35,384 - INFO - len(data['H1']): 68
-2024-12-04 18:20:35,384 - INFO - ao2mo.restore...
-2024-12-04 18:20:35,418 - INFO - done.
-2024-12-04 18:20:35,418 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 18:20:35,418 - INFO - done.
-2024-12-04 18:20:35,418 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 19:01:46,952 - INFO - done.
-2024-12-04 19:01:46,952 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 19:03:32,676 - INFO - done.
-2024-12-04 19:03:32,676 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 19:03:43,546 - INFO - done.
-2024-12-04 19:03:43,546 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 19:03:47,753 - INFO - done.
-2024-12-04 19:03:47,753 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 19:03:47,754 - INFO - done.
-2024-12-04 19:03:47,754 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 19:03:47,754 - INFO - done.
-2024-12-04 19:03:48,833 - INFO - Hamiltonian features calculation run time (seconds): 2600.019544
-2024-12-04 19:03:48,833 - INFO - wrote df_eigs to file: df_eigs.781d0704-7a95-4183-9c50-cbdbd976884a.bin
-2024-12-04 19:03:48,835 - INFO - deleting file fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-04 19:03:48,850 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 19:03:48,855 - INFO - this script has been running for 8.96 hours.
-2024-12-04 19:03:48,856 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-04 19:03:48,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-04 19:03:48,856 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 19:03:48,856 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-04 19:03:48,856 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-04 19:03:48,856 - INFO - problem_instance short name: planted_solution_0007
-2024-12-04 19:03:48,856 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 19:03:48,856 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-04 19:03:48,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 19:03:48,857 - INFO - attempting to process the Hamiltonian...
-2024-12-04 19:03:48,857 - INFO - number of supporting files: 1
-2024-12-04 19:03:48,857 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-04 19:03:48,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-04 19:03:48,857 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-04 19:03:48,867 - INFO - number of entries in Hamiltonian_features.csv:  158
-2024-12-04 19:03:48,867 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-04 19:03:48,868 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-04 19:03:48,868 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-04 19:03:48,868 - INFO - problem_instance short name: O_1
-2024-12-04 19:03:48,868 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 19:03:48,868 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-04 19:03:48,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 19:03:48,869 - INFO - attempting to process the Hamiltonian...
-2024-12-04 19:03:48,869 - INFO - number of supporting files: 2
-2024-12-04 19:03:48,869 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-04 19:03:48,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-04 19:03:48,869 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-04 19:03:48,879 - INFO - number of entries in Hamiltonian_features.csv:  158
-2024-12-04 19:03:48,879 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-04 19:03:48,879 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-04 19:03:48,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-04 19:03:48,879 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 19:03:48,879 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-04 19:03:48,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 19:03:48,881 - INFO - number of orbitals:  79
-2024-12-04 19:03:48,881 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 19:03:48,881 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 19:03:48,881 - INFO - moving on ...
-2024-12-04 19:03:48,881 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-04 19:03:48,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 19:03:48,882 - INFO - attempting to process the Hamiltonian...
-2024-12-04 19:03:48,882 - INFO - number of supporting files: 2
-2024-12-04 19:03:48,882 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-04 19:03:48,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-04 19:03:48,882 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-04 19:03:48,891 - INFO - number of entries in Hamiltonian_features.csv:  158
-2024-12-04 19:03:48,892 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-04 19:03:48,892 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-04 19:03:48,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-04 19:03:48,892 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 19:03:48,892 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-04 19:03:48,892 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-04 19:03:48,892 - INFO - problem_instance short name: h2_o_0
-2024-12-04 19:03:48,892 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 19:03:48,892 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-04 19:03:48,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 19:03:48,893 - INFO - attempting to process the Hamiltonian...
-2024-12-04 19:03:48,894 - INFO - number of supporting files: 2
-2024-12-04 19:03:48,894 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-04 19:03:48,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-04 19:03:48,894 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-04 19:03:48,904 - INFO - number of entries in Hamiltonian_features.csv:  158
-2024-12-04 19:03:48,904 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-04 19:03:48,904 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-04 19:03:48,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-04 19:03:48,904 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 19:03:48,904 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-04 19:03:48,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 19:03:48,906 - INFO - number of orbitals:  115
-2024-12-04 19:03:48,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 19:03:48,906 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 19:03:48,906 - INFO - moving on ...
-2024-12-04 19:03:48,906 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-04 19:03:48,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 19:03:48,907 - INFO - attempting to process the Hamiltonian...
-2024-12-04 19:03:48,907 - INFO - number of supporting files: 2
-2024-12-04 19:03:48,907 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-04 19:03:48,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-04 19:03:48,907 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-04 19:03:48,916 - INFO - number of entries in Hamiltonian_features.csv:  158
-2024-12-04 19:03:48,917 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-04 19:03:48,917 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-04 19:03:48,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-04 19:03:48,917 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 19:03:48,917 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-04 19:03:48,917 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-04 19:03:48,917 - INFO - problem_instance short name: si2_h6_0
-2024-12-04 19:03:48,917 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 19:03:48,917 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-04 19:03:48,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 19:03:48,918 - INFO - attempting to process the Hamiltonian...
-2024-12-04 19:03:48,918 - INFO - number of supporting files: 2
-2024-12-04 19:03:48,918 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-04 19:03:48,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-04 19:03:48,918 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-04 19:03:48,927 - INFO - number of entries in Hamiltonian_features.csv:  158
-2024-12-04 19:03:48,928 - INFO - did NOT find instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b in database.
-2024-12-04 19:03:48,928 - INFO - Processing instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b ...
-2024-12-04 19:03:48,928 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz...
-2024-12-04 19:03:48,933 - INFO - Connected (version 2.0, client 0)
-2024-12-04 19:03:49,451 - INFO - Authentication (publickey) successful!
-2024-12-04 19:03:49,470 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 19:03:57,122 - INFO - [chan 0] sftp session closed.
-2024-12-04 19:03:57,123 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 19:03:57,123 - INFO - decompressing file fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz...
-2024-12-04 19:03:58,177 - INFO - this script has been running for 8.96 hours.
-2024-12-04 19:03:58,177 - INFO - ===============================================
-2024-12-04 19:03:58,177 - INFO - calculating Hamiltonian features...
-2024-12-04 19:03:58,177 - INFO - reading data from fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b
-2024-12-04 19:04:07,590 - INFO - finished reading FCIDUMP data.
-2024-12-04 19:04:07,590 - INFO - data['NORB']: 66
-2024-12-04 19:04:07,590 - INFO - len(data['H1']): 66
-2024-12-04 19:04:07,590 - INFO - ao2mo.restore...
-2024-12-04 19:04:07,620 - INFO - done.
-2024-12-04 19:04:07,620 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 19:04:07,620 - INFO - done.
-2024-12-04 19:04:07,620 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 20:03:45,742 - INFO - done.
-2024-12-04 20:03:45,743 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 20:06:28,394 - INFO - done.
-2024-12-04 20:06:28,394 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 20:06:46,021 - INFO - done.
-2024-12-04 20:06:46,021 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 20:06:49,673 - INFO - done.
-2024-12-04 20:06:49,673 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 20:06:49,673 - INFO - done.
-2024-12-04 20:06:49,673 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 20:06:49,673 - INFO - done.
-2024-12-04 20:06:51,331 - INFO - Hamiltonian features calculation run time (seconds): 3773.153787
-2024-12-04 20:06:51,331 - INFO - wrote df_eigs to file: df_eigs.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.bin
-2024-12-04 20:06:51,332 - INFO - deleting file fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-04 20:06:51,357 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 20:06:51,363 - INFO - this script has been running for 10.01 hours.
-2024-12-04 20:06:51,364 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-04 20:06:51,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-04 20:06:51,364 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 20:06:51,364 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-04 20:06:51,364 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-04 20:06:51,364 - INFO - problem_instance short name: be_0
-2024-12-04 20:06:51,364 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 20:06:51,364 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-04 20:06:51,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 20:06:51,366 - INFO - attempting to process the Hamiltonian...
-2024-12-04 20:06:51,366 - INFO - number of supporting files: 2
-2024-12-04 20:06:51,366 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-04 20:06:51,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-04 20:06:51,366 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-04 20:06:51,375 - INFO - number of entries in Hamiltonian_features.csv:  159
-2024-12-04 20:06:51,376 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-04 20:06:51,376 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-04 20:06:51,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-04 20:06:51,376 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 20:06:51,376 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-04 20:06:51,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 20:06:51,377 - INFO - attempting to process the Hamiltonian...
-2024-12-04 20:06:51,377 - INFO - number of supporting files: 2
-2024-12-04 20:06:51,378 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-04 20:06:51,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-04 20:06:51,378 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-04 20:06:51,387 - INFO - number of entries in Hamiltonian_features.csv:  159
-2024-12-04 20:06:51,388 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-04 20:06:51,388 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-04 20:06:51,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-04 20:06:51,388 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 20:06:51,388 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-04 20:06:51,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 20:06:51,389 - INFO - attempting to process the Hamiltonian...
-2024-12-04 20:06:51,389 - INFO - number of supporting files: 2
-2024-12-04 20:06:51,389 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-04 20:06:51,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-04 20:06:51,390 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-04 20:06:51,399 - INFO - number of entries in Hamiltonian_features.csv:  159
-2024-12-04 20:06:51,400 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-04 20:06:51,400 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-04 20:06:51,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-04 20:06:51,400 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 20:06:51,400 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-04 20:06:51,400 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-04 20:06:51,400 - INFO - problem_instance short name: VO_0
-2024-12-04 20:06:51,400 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 20:06:51,400 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-04 20:06:51,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 20:06:51,402 - INFO - number of orbitals:  76
-2024-12-04 20:06:51,402 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 20:06:51,402 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 20:06:51,402 - INFO - moving on ...
-2024-12-04 20:06:51,402 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-04 20:06:51,402 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-04 20:06:51,402 - INFO - problem_instance short name: Cr_0
-2024-12-04 20:06:51,402 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 20:06:51,402 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-04 20:06:51,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 20:06:51,404 - INFO - attempting to process the Hamiltonian...
-2024-12-04 20:06:51,404 - INFO - number of supporting files: 2
-2024-12-04 20:06:51,404 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-04 20:06:51,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-04 20:06:51,404 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-04 20:06:51,414 - INFO - number of entries in Hamiltonian_features.csv:  159
-2024-12-04 20:06:51,414 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-04 20:06:51,414 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-04 20:06:51,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-04 20:06:51,414 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 20:06:51,414 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-04 20:06:51,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 20:06:51,416 - INFO - number of orbitals:  88
-2024-12-04 20:06:51,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 20:06:51,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 20:06:51,416 - INFO - moving on ...
-2024-12-04 20:06:51,416 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-04 20:06:51,416 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-04 20:06:51,416 - INFO - problem_instance short name: planted_solution_0009
-2024-12-04 20:06:51,416 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 20:06:51,416 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-04 20:06:51,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 20:06:51,417 - INFO - attempting to process the Hamiltonian...
-2024-12-04 20:06:51,417 - INFO - number of supporting files: 1
-2024-12-04 20:06:51,418 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-04 20:06:51,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-04 20:06:51,418 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-04 20:06:51,429 - INFO - number of entries in Hamiltonian_features.csv:  159
-2024-12-04 20:06:51,430 - INFO - did NOT find instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 in database.
-2024-12-04 20:06:51,430 - INFO - Processing instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 ...
-2024-12-04 20:06:51,430 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz...
-2024-12-04 20:06:51,436 - INFO - Connected (version 2.0, client 0)
-2024-12-04 20:06:53,270 - INFO - Authentication (publickey) successful!
-2024-12-04 20:06:53,295 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 20:06:56,981 - INFO - [chan 0] sftp session closed.
-2024-12-04 20:06:56,982 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 20:06:56,982 - INFO - decompressing file fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz...
-2024-12-04 20:06:57,681 - INFO - this script has been running for 10.01 hours.
-2024-12-04 20:06:57,681 - INFO - ===============================================
-2024-12-04 20:06:57,681 - INFO - calculating Hamiltonian features...
-2024-12-04 20:06:57,681 - INFO - reading data from fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8
-2024-12-04 20:07:03,583 - INFO - finished reading FCIDUMP data.
-2024-12-04 20:07:03,584 - INFO - data['NORB']: 69
-2024-12-04 20:07:03,584 - INFO - len(data['H1']): 69
-2024-12-04 20:07:03,584 - INFO - ao2mo.restore...
-2024-12-04 20:07:03,621 - INFO - done.
-2024-12-04 20:07:03,621 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 20:07:03,621 - INFO - done.
-2024-12-04 20:07:03,621 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 21:45:14,781 - INFO - done.
-2024-12-04 21:45:14,781 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 21:54:46,788 - INFO - done.
-2024-12-04 21:54:46,788 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 21:55:52,000 - INFO - done.
-2024-12-04 21:55:52,000 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 21:55:56,771 - INFO - done.
-2024-12-04 21:55:56,771 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 21:55:56,772 - INFO - done.
-2024-12-04 21:55:56,772 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 21:55:56,772 - INFO - done.
-2024-12-04 21:56:01,549 - INFO - Hamiltonian features calculation run time (seconds): 6543.867894
-2024-12-04 21:56:01,549 - INFO - wrote df_eigs to file: df_eigs.bbbbba1c-868c-45a5-b16c-0c17536e83d8.bin
-2024-12-04 21:56:01,549 - INFO - deleting file fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-04 21:56:01,566 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 21:56:01,569 - INFO - this script has been running for 11.83 hours.
-2024-12-04 21:56:01,569 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-04 21:56:01,569 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-04 21:56:01,569 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-04 21:56:01,569 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,569 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-04 21:56:01,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,571 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,571 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,571 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-04 21:56:01,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-04 21:56:01,571 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-04 21:56:01,581 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,582 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,582 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-04 21:56:01,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-04 21:56:01,582 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,582 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-04 21:56:01,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,583 - INFO - number of orbitals:  119
-2024-12-04 21:56:01,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,583 - INFO - moving on ...
-2024-12-04 21:56:01,584 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-04 21:56:01,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,585 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,585 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,585 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-04 21:56:01,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-04 21:56:01,585 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-04 21:56:01,595 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,595 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,595 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-04 21:56:01,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-04 21:56:01,595 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,595 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-04 21:56:01,595 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-04 21:56:01,595 - INFO - problem_instance short name: c_h4_0
-2024-12-04 21:56:01,595 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,595 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-04 21:56:01,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,597 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,597 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,597 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-04 21:56:01,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-04 21:56:01,597 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-04 21:56:01,606 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,607 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,607 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-04 21:56:01,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-04 21:56:01,607 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,607 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-04 21:56:01,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,608 - INFO - number of orbitals:  86
-2024-12-04 21:56:01,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,608 - INFO - moving on ...
-2024-12-04 21:56:01,608 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-04 21:56:01,609 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-04 21:56:01,609 - INFO - problem_instance short name: h_o_cl_0
-2024-12-04 21:56:01,609 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,609 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-04 21:56:01,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,610 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,610 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,610 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-04 21:56:01,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-04 21:56:01,610 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-04 21:56:01,620 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,621 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,621 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-04 21:56:01,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-04 21:56:01,621 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,621 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-04 21:56:01,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,623 - INFO - number of orbitals:  78
-2024-12-04 21:56:01,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,623 - INFO - moving on ...
-2024-12-04 21:56:01,623 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-04 21:56:01,623 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-04 21:56:01,623 - INFO - problem_instance short name: planted_solution_0005
-2024-12-04 21:56:01,623 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,623 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-04 21:56:01,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,625 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,625 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,625 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-04 21:56:01,625 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-04 21:56:01,625 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-04 21:56:01,635 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,635 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,636 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-04 21:56:01,636 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-04 21:56:01,636 - INFO - problem_instance short name: planted_solution_0003
-2024-12-04 21:56:01,636 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,636 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-04 21:56:01,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,637 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,637 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,637 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-04 21:56:01,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-04 21:56:01,637 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-04 21:56:01,647 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,647 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,647 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-04 21:56:01,647 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-04 21:56:01,647 - INFO - problem_instance short name: c_s_0
-2024-12-04 21:56:01,648 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,648 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-04 21:56:01,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,649 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,649 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,649 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-04 21:56:01,649 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-04 21:56:01,649 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-04 21:56:01,658 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,659 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,659 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-04 21:56:01,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-04 21:56:01,659 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,659 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-04 21:56:01,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,660 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,660 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,660 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-04 21:56:01,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-04 21:56:01,660 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-04 21:56:01,669 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,670 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,670 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-04 21:56:01,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-04 21:56:01,670 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,670 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-04 21:56:01,670 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-04 21:56:01,670 - INFO - problem_instance short name: si_h4_0
-2024-12-04 21:56:01,670 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,670 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-04 21:56:01,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,671 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,671 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,671 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-04 21:56:01,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-04 21:56:01,671 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-04 21:56:01,681 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,681 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,681 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-04 21:56:01,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-04 21:56:01,682 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,682 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-04 21:56:01,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,683 - INFO - number of orbitals:  90
-2024-12-04 21:56:01,683 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,683 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,683 - INFO - moving on ...
-2024-12-04 21:56:01,683 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-04 21:56:01,683 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-04 21:56:01,683 - INFO - problem_instance short name: c2_h4_0
-2024-12-04 21:56:01,683 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,683 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-04 21:56:01,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,684 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,684 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,684 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-04 21:56:01,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-04 21:56:01,685 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-04 21:56:01,694 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,695 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,695 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-04 21:56:01,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-04 21:56:01,695 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,695 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-04 21:56:01,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,696 - INFO - number of orbitals:  116
-2024-12-04 21:56:01,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,696 - INFO - moving on ...
-2024-12-04 21:56:01,696 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-04 21:56:01,696 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-04 21:56:01,696 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-04 21:56:01,696 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,696 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-04 21:56:01,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,698 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,698 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,698 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-04 21:56:01,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-04 21:56:01,698 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-04 21:56:01,708 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,708 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,708 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-04 21:56:01,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-04 21:56:01,708 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,708 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-04 21:56:01,708 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-04 21:56:01,708 - INFO - problem_instance short name: Cu_0
-2024-12-04 21:56:01,708 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,708 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-04 21:56:01,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,710 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,710 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,710 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-04 21:56:01,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-04 21:56:01,710 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-04 21:56:01,720 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,720 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,720 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-04 21:56:01,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-04 21:56:01,720 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,720 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-04 21:56:01,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,721 - INFO - number of orbitals:  88
-2024-12-04 21:56:01,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,722 - INFO - moving on ...
-2024-12-04 21:56:01,722 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-04 21:56:01,722 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-04 21:56:01,722 - INFO - problem_instance short name: ScO_0
-2024-12-04 21:56:01,722 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,722 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-04 21:56:01,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,723 - INFO - number of orbitals:  76
-2024-12-04 21:56:01,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,723 - INFO - moving on ...
-2024-12-04 21:56:01,723 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-04 21:56:01,723 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-04 21:56:01,723 - INFO - problem_instance short name: V_1
-2024-12-04 21:56:01,723 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,723 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-04 21:56:01,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,724 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,725 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,725 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-04 21:56:01,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-04 21:56:01,725 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-04 21:56:01,734 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,735 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,735 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-04 21:56:01,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-04 21:56:01,735 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,735 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-04 21:56:01,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,736 - INFO - number of orbitals:  88
-2024-12-04 21:56:01,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,736 - INFO - moving on ...
-2024-12-04 21:56:01,736 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-04 21:56:01,737 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-04 21:56:01,737 - INFO - problem_instance short name: mo_n2
-2024-12-04 21:56:01,737 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,737 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-04 21:56:01,737 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,737 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,737 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,738 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,739 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,739 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-04 21:56:01,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-04 21:56:01,739 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-04 21:56:01,748 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,749 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,749 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-04 21:56:01,749 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,749 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,749 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,751 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,751 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,751 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-04 21:56:01,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-04 21:56:01,751 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-04 21:56:01,761 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,761 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,761 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-04 21:56:01,761 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,761 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,761 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,763 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,763 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,763 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-04 21:56:01,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-04 21:56:01,763 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-04 21:56:01,773 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,773 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,773 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-04 21:56:01,773 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,774 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,775 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,775 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,775 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-04 21:56:01,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-04 21:56:01,776 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-04 21:56:01,785 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,785 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,786 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-04 21:56:01,786 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-04 21:56:01,786 - INFO - problem_instance short name: ozone
-2024-12-04 21:56:01,786 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,786 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-04 21:56:01,786 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,786 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,786 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,788 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,788 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,788 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-04 21:56:01,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-04 21:56:01,788 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-04 21:56:01,797 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,798 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,798 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-04 21:56:01,798 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,798 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,798 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,800 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,800 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,800 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-04 21:56:01,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-04 21:56:01,800 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-04 21:56:01,809 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,809 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,809 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-04 21:56:01,809 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,809 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,809 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,811 - INFO - number of orbitals:  90
-2024-12-04 21:56:01,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,811 - INFO - moving on ...
-2024-12-04 21:56:01,811 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-04 21:56:01,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,813 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,813 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,813 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-04 21:56:01,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-04 21:56:01,813 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-04 21:56:01,823 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,823 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,823 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-04 21:56:01,823 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,824 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,824 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,825 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,826 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,826 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-04 21:56:01,826 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-04 21:56:01,826 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-04 21:56:01,835 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,836 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,836 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-04 21:56:01,836 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,836 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,836 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,838 - INFO - number of orbitals:  90
-2024-12-04 21:56:01,838 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,838 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,838 - INFO - moving on ...
-2024-12-04 21:56:01,838 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-04 21:56:01,838 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-04 21:56:01,838 - INFO - problem_instance short name: Ti_0
-2024-12-04 21:56:01,838 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,838 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-04 21:56:01,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,839 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,839 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,839 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-04 21:56:01,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-04 21:56:01,839 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-04 21:56:01,849 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,849 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,849 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-04 21:56:01,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-04 21:56:01,849 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,849 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-04 21:56:01,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,850 - INFO - number of orbitals:  88
-2024-12-04 21:56:01,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,851 - INFO - moving on ...
-2024-12-04 21:56:01,851 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-04 21:56:01,851 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-04 21:56:01,851 - INFO - problem_instance short name: CuO_0
-2024-12-04 21:56:01,851 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,851 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-04 21:56:01,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,852 - INFO - number of orbitals:  76
-2024-12-04 21:56:01,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,852 - INFO - moving on ...
-2024-12-04 21:56:01,852 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-04 21:56:01,852 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-04 21:56:01,852 - INFO - problem_instance short name: c_o2_0
-2024-12-04 21:56:01,852 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,852 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-04 21:56:01,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,853 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,853 - INFO - number of supporting files: 2
-2024-12-04 21:56:01,854 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-04 21:56:01,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-04 21:56:01,854 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-04 21:56:01,863 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,863 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-04 21:56:01,863 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-04 21:56:01,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-04 21:56:01,863 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-04 21:56:01,863 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-04 21:56:01,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,865 - INFO - number of orbitals:  90
-2024-12-04 21:56:01,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-04 21:56:01,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-04 21:56:01,865 - INFO - moving on ...
-2024-12-04 21:56:01,865 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-04 21:56:01,865 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-04 21:56:01,865 - INFO - problem_instance short name: mo2_n2
-2024-12-04 21:56:01,865 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-04 21:56:01,865 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-04 21:56:01,865 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 21:56:01,865 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 21:56:01,865 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 21:56:01,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 21:56:01,867 - INFO - attempting to process the Hamiltonian...
-2024-12-04 21:56:01,867 - INFO - number of supporting files: 1
-2024-12-04 21:56:01,867 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-04 21:56:01,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-04 21:56:01,867 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-04 21:56:01,876 - INFO - number of entries in Hamiltonian_features.csv:  160
-2024-12-04 21:56:01,876 - INFO - did NOT find instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a in database.
-2024-12-04 21:56:01,877 - INFO - Processing instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a ...
-2024-12-04 21:56:01,877 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz...
-2024-12-04 21:56:01,882 - INFO - Connected (version 2.0, client 0)
-2024-12-04 21:56:04,050 - INFO - Authentication (publickey) successful!
-2024-12-04 21:56:04,072 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 21:56:09,472 - INFO - [chan 0] sftp session closed.
-2024-12-04 21:56:09,472 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 21:56:09,472 - INFO - decompressing file fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz...
-2024-12-04 21:56:10,363 - INFO - this script has been running for 11.83 hours.
-2024-12-04 21:56:10,363 - INFO - ===============================================
-2024-12-04 21:56:10,363 - INFO - calculating Hamiltonian features...
-2024-12-04 21:56:10,363 - INFO - reading data from fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a
-2024-12-04 21:56:17,076 - INFO - finished reading FCIDUMP data.
-2024-12-04 21:56:17,076 - INFO - data['NORB']: 69
-2024-12-04 21:56:17,076 - INFO - len(data['H1']): 69
-2024-12-04 21:56:17,076 - INFO - ao2mo.restore...
-2024-12-04 21:56:17,110 - INFO - done.
-2024-12-04 21:56:17,110 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 21:56:17,110 - INFO - done.
-2024-12-04 21:56:17,110 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-04 23:33:37,046 - INFO - done.
-2024-12-04 23:33:37,046 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-04 23:42:49,920 - INFO - done.
-2024-12-04 23:42:49,920 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-04 23:43:57,956 - INFO - done.
-2024-12-04 23:43:57,956 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-04 23:44:02,719 - INFO - done.
-2024-12-04 23:44:02,719 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-04 23:44:02,720 - INFO - done.
-2024-12-04 23:44:02,720 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-04 23:44:02,720 - INFO - done.
-2024-12-04 23:44:07,703 - INFO - Hamiltonian features calculation run time (seconds): 6477.339916
-2024-12-04 23:44:07,703 - INFO - wrote df_eigs to file: df_eigs.09c3ddd5-0187-46e8-95c3-157c470cb69a.bin
-2024-12-04 23:44:07,703 - INFO - deleting file fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-04 23:44:07,721 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-04 23:44:07,723 - INFO - this script has been running for 13.63 hours.
-2024-12-04 23:44:07,723 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-04 23:44:07,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-04 23:44:07,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-04 23:44:07,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-04 23:44:07,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-04 23:44:07,725 - INFO - attempting to process the Hamiltonian...
-2024-12-04 23:44:07,725 - INFO - number of supporting files: 1
-2024-12-04 23:44:07,725 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-04 23:44:07,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-04 23:44:07,725 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-04 23:44:07,736 - INFO - number of entries in Hamiltonian_features.csv:  161
-2024-12-04 23:44:07,736 - INFO - did NOT find instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf in database.
-2024-12-04 23:44:07,736 - INFO - Processing instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf ...
-2024-12-04 23:44:07,736 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz...
-2024-12-04 23:44:07,741 - INFO - Connected (version 2.0, client 0)
-2024-12-04 23:44:08,269 - INFO - Authentication (publickey) successful!
-2024-12-04 23:44:08,297 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-04 23:44:13,043 - INFO - [chan 0] sftp session closed.
-2024-12-04 23:44:13,043 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-04 23:44:13,044 - INFO - decompressing file fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz...
-2024-12-04 23:44:14,150 - INFO - this script has been running for 13.63 hours.
-2024-12-04 23:44:14,151 - INFO - ===============================================
-2024-12-04 23:44:14,151 - INFO - calculating Hamiltonian features...
-2024-12-04 23:44:14,151 - INFO - reading data from fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf
-2024-12-04 23:44:23,439 - INFO - finished reading FCIDUMP data.
-2024-12-04 23:44:23,439 - INFO - data['NORB']: 70
-2024-12-04 23:44:23,439 - INFO - len(data['H1']): 70
-2024-12-04 23:44:23,439 - INFO - ao2mo.restore...
-2024-12-04 23:44:23,488 - INFO - done.
-2024-12-04 23:44:23,488 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-04 23:44:23,488 - INFO - done.
-2024-12-04 23:44:23,488 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 01:31:11,716 - INFO - done.
-2024-12-05 01:31:11,716 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 01:41:06,639 - INFO - done.
-2024-12-05 01:41:06,640 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 01:42:13,682 - INFO - done.
-2024-12-05 01:42:13,682 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 01:42:18,783 - INFO - done.
-2024-12-05 01:42:18,783 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 01:42:18,792 - INFO - done.
-2024-12-05 01:42:18,792 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 01:42:18,792 - INFO - done.
-2024-12-05 01:42:23,956 - INFO - Hamiltonian features calculation run time (seconds): 7089.804667
-2024-12-05 01:42:23,957 - INFO - wrote df_eigs to file: df_eigs.f36a9dbc-c34a-401f-8ea6-dc996d785edf.bin
-2024-12-05 01:42:23,957 - INFO - deleting file fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-05 01:42:23,978 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 01:42:23,980 - INFO - this script has been running for 15.60 hours.
-2024-12-05 01:42:23,980 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-05 01:42:23,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 01:42:23,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 01:42:23,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 01:42:23,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 01:42:23,983 - INFO - attempting to process the Hamiltonian...
-2024-12-05 01:42:23,983 - INFO - number of supporting files: 1
-2024-12-05 01:42:23,983 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-05 01:42:23,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-05 01:42:23,983 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-05 01:42:23,994 - INFO - number of entries in Hamiltonian_features.csv:  162
-2024-12-05 01:42:23,994 - INFO - did NOT find instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 in database.
-2024-12-05 01:42:23,994 - INFO - Processing instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 ...
-2024-12-05 01:42:23,994 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz...
-2024-12-05 01:42:23,999 - INFO - Connected (version 2.0, client 0)
-2024-12-05 01:42:24,515 - INFO - Authentication (publickey) successful!
-2024-12-05 01:42:24,540 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 01:42:28,706 - INFO - [chan 0] sftp session closed.
-2024-12-05 01:42:28,706 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 01:42:28,706 - INFO - decompressing file fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz...
-2024-12-05 01:42:29,498 - INFO - this script has been running for 15.60 hours.
-2024-12-05 01:42:29,498 - INFO - ===============================================
-2024-12-05 01:42:29,498 - INFO - calculating Hamiltonian features...
-2024-12-05 01:42:29,498 - INFO - reading data from fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7
-2024-12-05 01:42:36,050 - INFO - finished reading FCIDUMP data.
-2024-12-05 01:42:36,050 - INFO - data['NORB']: 69
-2024-12-05 01:42:36,050 - INFO - len(data['H1']): 69
-2024-12-05 01:42:36,050 - INFO - ao2mo.restore...
-2024-12-05 01:42:36,089 - INFO - done.
-2024-12-05 01:42:36,089 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 01:42:36,089 - INFO - done.
-2024-12-05 01:42:36,089 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 03:15:45,859 - INFO - done.
-2024-12-05 03:15:45,859 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 03:24:34,538 - INFO - done.
-2024-12-05 03:24:34,538 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 03:25:34,214 - INFO - done.
-2024-12-05 03:25:34,214 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 03:25:38,823 - INFO - done.
-2024-12-05 03:25:38,824 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 03:25:38,824 - INFO - done.
-2024-12-05 03:25:38,824 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 03:25:38,824 - INFO - done.
-2024-12-05 03:25:43,514 - INFO - Hamiltonian features calculation run time (seconds): 6194.015853
-2024-12-05 03:25:43,515 - INFO - wrote df_eigs to file: df_eigs.9cba211b-820c-4ad4-a050-336e8049e1c7.bin
-2024-12-05 03:25:43,515 - INFO - deleting file fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-05 03:25:43,532 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 03:25:43,534 - INFO - this script has been running for 17.32 hours.
-2024-12-05 03:25:43,534 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-05 03:25:43,534 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-05 03:25:43,534 - INFO - problem_instance short name: Mn_1
-2024-12-05 03:25:43,534 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 03:25:43,534 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-05 03:25:43,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,536 - INFO - attempting to process the Hamiltonian...
-2024-12-05 03:25:43,536 - INFO - number of supporting files: 2
-2024-12-05 03:25:43,536 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-05 03:25:43,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-05 03:25:43,536 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-05 03:25:43,546 - INFO - number of entries in Hamiltonian_features.csv:  163
-2024-12-05 03:25:43,547 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-05 03:25:43,547 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-05 03:25:43,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-05 03:25:43,547 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 03:25:43,547 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-05 03:25:43,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,548 - INFO - number of orbitals:  88
-2024-12-05 03:25:43,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-05 03:25:43,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 03:25:43,548 - INFO - moving on ...
-2024-12-05 03:25:43,548 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-05 03:25:43,549 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-05 03:25:43,549 - INFO - problem_instance short name: O_0
-2024-12-05 03:25:43,549 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 03:25:43,549 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-05 03:25:43,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,550 - INFO - attempting to process the Hamiltonian...
-2024-12-05 03:25:43,550 - INFO - number of supporting files: 2
-2024-12-05 03:25:43,550 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-05 03:25:43,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-05 03:25:43,550 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-05 03:25:43,560 - INFO - number of entries in Hamiltonian_features.csv:  163
-2024-12-05 03:25:43,561 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-05 03:25:43,561 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-05 03:25:43,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-05 03:25:43,561 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 03:25:43,561 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-05 03:25:43,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,562 - INFO - number of orbitals:  79
-2024-12-05 03:25:43,562 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-05 03:25:43,562 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 03:25:43,562 - INFO - moving on ...
-2024-12-05 03:25:43,562 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-05 03:25:43,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,564 - INFO - attempting to process the Hamiltonian...
-2024-12-05 03:25:43,564 - INFO - number of supporting files: 2
-2024-12-05 03:25:43,564 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-05 03:25:43,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-05 03:25:43,564 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-05 03:25:43,574 - INFO - number of entries in Hamiltonian_features.csv:  163
-2024-12-05 03:25:43,574 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-05 03:25:43,574 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-05 03:25:43,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-05 03:25:43,574 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 03:25:43,574 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-05 03:25:43,575 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-05 03:25:43,575 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-05 03:25:43,575 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 03:25:43,575 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-05 03:25:43,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,576 - INFO - attempting to process the Hamiltonian...
-2024-12-05 03:25:43,576 - INFO - number of supporting files: 2
-2024-12-05 03:25:43,576 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-05 03:25:43,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-05 03:25:43,576 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-05 03:25:43,586 - INFO - number of entries in Hamiltonian_features.csv:  163
-2024-12-05 03:25:43,587 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-05 03:25:43,587 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-05 03:25:43,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-05 03:25:43,587 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 03:25:43,587 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-05 03:25:43,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,588 - INFO - number of orbitals:  115
-2024-12-05 03:25:43,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-05 03:25:43,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 03:25:43,588 - INFO - moving on ...
-2024-12-05 03:25:43,588 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-05 03:25:43,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,590 - INFO - attempting to process the Hamiltonian...
-2024-12-05 03:25:43,590 - INFO - number of supporting files: 2
-2024-12-05 03:25:43,590 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-05 03:25:43,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-05 03:25:43,590 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-05 03:25:43,599 - INFO - number of entries in Hamiltonian_features.csv:  163
-2024-12-05 03:25:43,600 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-05 03:25:43,600 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-05 03:25:43,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-05 03:25:43,600 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 03:25:43,600 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-05 03:25:43,600 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-05 03:25:43,600 - INFO - problem_instance short name: p2_0
-2024-12-05 03:25:43,600 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 03:25:43,600 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-05 03:25:43,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,601 - INFO - attempting to process the Hamiltonian...
-2024-12-05 03:25:43,601 - INFO - number of supporting files: 2
-2024-12-05 03:25:43,601 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-05 03:25:43,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-05 03:25:43,602 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-05 03:25:43,611 - INFO - number of entries in Hamiltonian_features.csv:  163
-2024-12-05 03:25:43,611 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-05 03:25:43,612 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-05 03:25:43,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-05 03:25:43,612 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 03:25:43,612 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-05 03:25:43,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,613 - INFO - number of orbitals:  118
-2024-12-05 03:25:43,613 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-05 03:25:43,613 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 03:25:43,613 - INFO - moving on ...
-2024-12-05 03:25:43,613 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-05 03:25:43,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 03:25:43,614 - INFO - attempting to process the Hamiltonian...
-2024-12-05 03:25:43,614 - INFO - number of supporting files: 2
-2024-12-05 03:25:43,614 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-05 03:25:43,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-05 03:25:43,614 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-05 03:25:43,624 - INFO - number of entries in Hamiltonian_features.csv:  163
-2024-12-05 03:25:43,625 - INFO - did NOT find instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 in database.
-2024-12-05 03:25:43,625 - INFO - Processing instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 ...
-2024-12-05 03:25:43,625 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz...
-2024-12-05 03:25:43,630 - INFO - Connected (version 2.0, client 0)
-2024-12-05 03:25:44,170 - INFO - Authentication (publickey) successful!
-2024-12-05 03:25:44,185 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 03:25:49,006 - INFO - [chan 0] sftp session closed.
-2024-12-05 03:25:49,006 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 03:25:49,006 - INFO - decompressing file fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz...
-2024-12-05 03:25:49,899 - INFO - this script has been running for 17.32 hours.
-2024-12-05 03:25:49,899 - INFO - ===============================================
-2024-12-05 03:25:49,899 - INFO - calculating Hamiltonian features...
-2024-12-05 03:25:49,899 - INFO - reading data from fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24
-2024-12-05 03:25:57,322 - INFO - finished reading FCIDUMP data.
-2024-12-05 03:25:57,322 - INFO - data['NORB']: 68
-2024-12-05 03:25:57,322 - INFO - len(data['H1']): 68
-2024-12-05 03:25:57,322 - INFO - ao2mo.restore...
-2024-12-05 03:25:57,356 - INFO - done.
-2024-12-05 03:25:57,356 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 03:25:57,356 - INFO - done.
-2024-12-05 03:25:57,356 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 04:12:33,704 - INFO - done.
-2024-12-05 04:12:33,705 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 04:14:42,274 - INFO - done.
-2024-12-05 04:14:42,274 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 04:14:56,119 - INFO - done.
-2024-12-05 04:14:56,119 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 04:15:00,147 - INFO - done.
-2024-12-05 04:15:00,147 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 04:15:00,148 - INFO - done.
-2024-12-05 04:15:00,148 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 04:15:00,148 - INFO - done.
-2024-12-05 04:15:01,493 - INFO - Hamiltonian features calculation run time (seconds): 2951.594086
-2024-12-05 04:15:01,493 - INFO - wrote df_eigs to file: df_eigs.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.bin
-2024-12-05 04:15:01,494 - INFO - deleting file fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-05 04:15:01,513 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 04:15:01,519 - INFO - this script has been running for 18.14 hours.
-2024-12-05 04:15:01,520 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-05 04:15:01,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-05 04:15:01,520 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 04:15:01,520 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-05 04:15:01,520 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-05 04:15:01,520 - INFO - problem_instance short name: FeO_0
-2024-12-05 04:15:01,520 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 04:15:01,520 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-05 04:15:01,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 04:15:01,522 - INFO - number of orbitals:  76
-2024-12-05 04:15:01,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-05 04:15:01,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 04:15:01,522 - INFO - moving on ...
-2024-12-05 04:15:01,522 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-05 04:15:01,522 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-05 04:15:01,522 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-05 04:15:01,522 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-05 04:15:01,522 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-05 04:15:01,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 04:15:01,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 04:15:01,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 04:15:01,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 04:15:01,524 - INFO - attempting to process the Hamiltonian...
-2024-12-05 04:15:01,524 - INFO - number of supporting files: 1
-2024-12-05 04:15:01,524 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-05 04:15:01,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-05 04:15:01,524 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-05 04:15:01,534 - INFO - number of entries in Hamiltonian_features.csv:  164
-2024-12-05 04:15:01,535 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-05 04:15:01,535 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-05 04:15:01,535 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 04:15:01,535 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 04:15:01,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 04:15:01,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 04:15:01,537 - INFO - attempting to process the Hamiltonian...
-2024-12-05 04:15:01,537 - INFO - number of supporting files: 1
-2024-12-05 04:15:01,537 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-05 04:15:01,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-05 04:15:01,537 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-05 04:15:01,547 - INFO - number of entries in Hamiltonian_features.csv:  164
-2024-12-05 04:15:01,547 - INFO - did NOT find instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab in database.
-2024-12-05 04:15:01,547 - INFO - Processing instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab ...
-2024-12-05 04:15:01,548 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz...
-2024-12-05 04:15:01,562 - INFO - Connected (version 2.0, client 0)
-2024-12-05 04:15:02,165 - INFO - Authentication (publickey) successful!
-2024-12-05 04:15:02,189 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 04:15:06,941 - INFO - [chan 0] sftp session closed.
-2024-12-05 04:15:06,941 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 04:15:06,942 - INFO - decompressing file fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz...
-2024-12-05 04:15:07,771 - INFO - this script has been running for 18.14 hours.
-2024-12-05 04:15:07,771 - INFO - ===============================================
-2024-12-05 04:15:07,771 - INFO - calculating Hamiltonian features...
-2024-12-05 04:15:07,771 - INFO - reading data from fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab
-2024-12-05 04:15:14,533 - INFO - finished reading FCIDUMP data.
-2024-12-05 04:15:14,533 - INFO - data['NORB']: 70
-2024-12-05 04:15:14,533 - INFO - len(data['H1']): 70
-2024-12-05 04:15:14,533 - INFO - ao2mo.restore...
-2024-12-05 04:15:14,572 - INFO - done.
-2024-12-05 04:15:14,572 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 04:15:14,572 - INFO - done.
-2024-12-05 04:15:14,572 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 05:55:19,128 - INFO - done.
-2024-12-05 05:55:19,128 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 06:04:41,252 - INFO - done.
-2024-12-05 06:04:41,253 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 06:05:52,762 - INFO - done.
-2024-12-05 06:05:52,762 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 06:05:57,392 - INFO - done.
-2024-12-05 06:05:57,392 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 06:05:57,392 - INFO - done.
-2024-12-05 06:05:57,392 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 06:05:57,393 - INFO - done.
-2024-12-05 06:06:02,670 - INFO - Hamiltonian features calculation run time (seconds): 6654.898105
-2024-12-05 06:06:02,670 - INFO - wrote df_eigs to file: df_eigs.d74d0c01-8507-445b-bec1-f02bafbbfaab.bin
-2024-12-05 06:06:02,670 - INFO - deleting file fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-05 06:06:02,691 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 06:06:02,693 - INFO - this script has been running for 19.99 hours.
-2024-12-05 06:06:02,693 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-05 06:06:02,694 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 06:06:02,694 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 06:06:02,694 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 06:06:02,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 06:06:02,696 - INFO - attempting to process the Hamiltonian...
-2024-12-05 06:06:02,696 - INFO - number of supporting files: 1
-2024-12-05 06:06:02,696 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-05 06:06:02,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-05 06:06:02,696 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-05 06:06:02,707 - INFO - number of entries in Hamiltonian_features.csv:  165
-2024-12-05 06:06:02,707 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-05 06:06:02,707 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-05 06:06:02,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 06:06:02,707 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 06:06:02,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 06:06:02,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 06:06:02,710 - INFO - attempting to process the Hamiltonian...
-2024-12-05 06:06:02,710 - INFO - number of supporting files: 1
-2024-12-05 06:06:02,710 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-05 06:06:02,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-05 06:06:02,710 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-05 06:06:02,720 - INFO - number of entries in Hamiltonian_features.csv:  165
-2024-12-05 06:06:02,720 - INFO - did NOT find instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a in database.
-2024-12-05 06:06:02,720 - INFO - Processing instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a ...
-2024-12-05 06:06:02,720 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz...
-2024-12-05 06:06:02,726 - INFO - Connected (version 2.0, client 0)
-2024-12-05 06:06:03,258 - INFO - Authentication (publickey) successful!
-2024-12-05 06:06:03,273 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 06:06:11,262 - INFO - [chan 0] sftp session closed.
-2024-12-05 06:06:11,262 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 06:06:11,262 - INFO - decompressing file fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz...
-2024-12-05 06:06:12,044 - INFO - this script has been running for 20.00 hours.
-2024-12-05 06:06:12,044 - INFO - ===============================================
-2024-12-05 06:06:12,044 - INFO - calculating Hamiltonian features...
-2024-12-05 06:06:12,044 - INFO - reading data from fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a
-2024-12-05 06:06:18,668 - INFO - finished reading FCIDUMP data.
-2024-12-05 06:06:18,668 - INFO - data['NORB']: 69
-2024-12-05 06:06:18,668 - INFO - len(data['H1']): 69
-2024-12-05 06:06:18,668 - INFO - ao2mo.restore...
-2024-12-05 06:06:18,705 - INFO - done.
-2024-12-05 06:06:18,705 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 06:06:18,705 - INFO - done.
-2024-12-05 06:06:18,705 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 07:39:50,960 - INFO - done.
-2024-12-05 07:39:50,961 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 07:48:42,310 - INFO - done.
-2024-12-05 07:48:42,310 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 07:49:41,009 - INFO - done.
-2024-12-05 07:49:41,009 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 07:49:45,064 - INFO - done.
-2024-12-05 07:49:45,064 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 07:49:45,065 - INFO - done.
-2024-12-05 07:49:45,065 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 07:49:45,065 - INFO - done.
-2024-12-05 07:49:49,788 - INFO - Hamiltonian features calculation run time (seconds): 6217.744312
-2024-12-05 07:49:49,789 - INFO - wrote df_eigs to file: df_eigs.53abfc75-37a3-440c-a023-6e4cbffecd6a.bin
-2024-12-05 07:49:49,789 - INFO - deleting file fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-05 07:49:49,806 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 07:49:49,808 - INFO - this script has been running for 21.72 hours.
-2024-12-05 07:49:49,808 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-05 07:49:49,809 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 07:49:49,809 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 07:49:49,809 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 07:49:49,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 07:49:49,811 - INFO - attempting to process the Hamiltonian...
-2024-12-05 07:49:49,811 - INFO - number of supporting files: 1
-2024-12-05 07:49:49,811 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-05 07:49:49,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-05 07:49:49,811 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-05 07:49:49,821 - INFO - number of entries in Hamiltonian_features.csv:  166
-2024-12-05 07:49:49,821 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-05 07:49:49,821 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-05 07:49:49,821 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 07:49:49,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 07:49:49,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 07:49:49,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 07:49:49,823 - INFO - attempting to process the Hamiltonian...
-2024-12-05 07:49:49,823 - INFO - number of supporting files: 1
-2024-12-05 07:49:49,823 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-05 07:49:49,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-05 07:49:49,823 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-05 07:49:49,833 - INFO - number of entries in Hamiltonian_features.csv:  166
-2024-12-05 07:49:49,834 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-05 07:49:49,834 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-05 07:49:49,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 07:49:49,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 07:49:49,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 07:49:49,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 07:49:49,836 - INFO - attempting to process the Hamiltonian...
-2024-12-05 07:49:49,836 - INFO - number of supporting files: 1
-2024-12-05 07:49:49,836 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-05 07:49:49,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-05 07:49:49,836 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-05 07:49:49,846 - INFO - number of entries in Hamiltonian_features.csv:  166
-2024-12-05 07:49:49,846 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-05 07:49:49,846 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-05 07:49:49,846 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 07:49:49,846 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 07:49:49,846 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 07:49:49,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 07:49:49,848 - INFO - attempting to process the Hamiltonian...
-2024-12-05 07:49:49,848 - INFO - number of supporting files: 1
-2024-12-05 07:49:49,848 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-05 07:49:49,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-05 07:49:49,848 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-05 07:49:49,858 - INFO - number of entries in Hamiltonian_features.csv:  166
-2024-12-05 07:49:49,858 - INFO - did NOT find instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee in database.
-2024-12-05 07:49:49,858 - INFO - Processing instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee ...
-2024-12-05 07:49:49,858 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz...
-2024-12-05 07:49:49,863 - INFO - Connected (version 2.0, client 0)
-2024-12-05 07:49:50,363 - INFO - Authentication (publickey) successful!
-2024-12-05 07:49:50,379 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 07:49:54,572 - INFO - [chan 0] sftp session closed.
-2024-12-05 07:49:54,572 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 07:49:54,572 - INFO - decompressing file fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz...
-2024-12-05 07:49:55,332 - INFO - this script has been running for 21.72 hours.
-2024-12-05 07:49:55,333 - INFO - ===============================================
-2024-12-05 07:49:55,333 - INFO - calculating Hamiltonian features...
-2024-12-05 07:49:55,333 - INFO - reading data from fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee
-2024-12-05 07:50:02,078 - INFO - finished reading FCIDUMP data.
-2024-12-05 07:50:02,078 - INFO - data['NORB']: 69
-2024-12-05 07:50:02,078 - INFO - len(data['H1']): 69
-2024-12-05 07:50:02,078 - INFO - ao2mo.restore...
-2024-12-05 07:50:02,112 - INFO - done.
-2024-12-05 07:50:02,112 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 07:50:02,112 - INFO - done.
-2024-12-05 07:50:02,112 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 09:25:39,658 - INFO - done.
-2024-12-05 09:25:39,658 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 09:34:38,256 - INFO - done.
-2024-12-05 09:34:38,256 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 09:35:43,300 - INFO - done.
-2024-12-05 09:35:43,300 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 09:35:47,924 - INFO - done.
-2024-12-05 09:35:47,924 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 09:35:47,925 - INFO - done.
-2024-12-05 09:35:47,925 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 09:35:47,925 - INFO - done.
-2024-12-05 09:35:52,645 - INFO - Hamiltonian features calculation run time (seconds): 6357.312366
-2024-12-05 09:35:52,645 - INFO - wrote df_eigs to file: df_eigs.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.bin
-2024-12-05 09:35:52,645 - INFO - deleting file fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-05 09:35:52,662 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 09:35:52,664 - INFO - this script has been running for 23.49 hours.
-2024-12-05 09:35:52,664 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-05 09:35:52,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,666 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,666 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,666 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-05 09:35:52,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-05 09:35:52,666 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-05 09:35:52,676 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,676 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,677 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-05 09:35:52,677 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,677 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,677 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,678 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,679 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,679 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-05 09:35:52,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-05 09:35:52,679 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-05 09:35:52,689 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,689 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,689 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-05 09:35:52,689 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,689 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,689 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,691 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,691 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,691 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-05 09:35:52,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-05 09:35:52,691 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-05 09:35:52,701 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,701 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,701 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-05 09:35:52,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,703 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,703 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,703 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-05 09:35:52,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-05 09:35:52,703 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-05 09:35:52,714 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,714 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,714 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-05 09:35:52,714 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,714 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,714 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,716 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,716 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,716 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-05 09:35:52,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-05 09:35:52,716 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-05 09:35:52,728 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,728 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,728 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-05 09:35:52,729 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,729 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,729 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,731 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,731 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,731 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-05 09:35:52,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-05 09:35:52,731 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-05 09:35:52,741 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,742 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,742 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-05 09:35:52,742 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,742 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,742 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,744 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,744 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,744 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-05 09:35:52,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-05 09:35:52,744 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-05 09:35:52,754 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,754 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,755 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-05 09:35:52,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,757 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,757 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,757 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-05 09:35:52,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-05 09:35:52,757 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-05 09:35:52,767 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,767 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,767 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-05 09:35:52,767 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-05 09:35:52,767 - INFO - problem_instance short name: planted_solution_0011
-2024-12-05 09:35:52,767 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:52,767 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-05 09:35:52,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,769 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,769 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,769 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-05 09:35:52,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-05 09:35:52,769 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-05 09:35:52,779 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,779 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,779 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-05 09:35:52,780 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-05 09:35:52,780 - INFO - problem_instance short name: Ti_0
-2024-12-05 09:35:52,780 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:52,780 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-05 09:35:52,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,781 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,781 - INFO - number of supporting files: 2
-2024-12-05 09:35:52,781 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-05 09:35:52,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-05 09:35:52,781 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-05 09:35:52,791 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,791 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,792 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-05 09:35:52,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-05 09:35:52,792 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:52,792 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-05 09:35:52,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,793 - INFO - number of orbitals:  88
-2024-12-05 09:35:52,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:52,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:52,793 - INFO - moving on ...
-2024-12-05 09:35:52,793 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-05 09:35:52,793 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-05 09:35:52,793 - INFO - problem_instance short name: O_0
-2024-12-05 09:35:52,793 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:52,793 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-05 09:35:52,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,795 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,795 - INFO - number of supporting files: 2
-2024-12-05 09:35:52,795 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-05 09:35:52,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-05 09:35:52,795 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-05 09:35:52,805 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,805 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,805 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-05 09:35:52,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-05 09:35:52,805 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:52,805 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-05 09:35:52,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,807 - INFO - number of orbitals:  79
-2024-12-05 09:35:52,807 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:52,807 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:52,807 - INFO - moving on ...
-2024-12-05 09:35:52,807 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-05 09:35:52,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,808 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,808 - INFO - number of supporting files: 2
-2024-12-05 09:35:52,808 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-05 09:35:52,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-05 09:35:52,808 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-05 09:35:52,818 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,818 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,818 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-05 09:35:52,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-05 09:35:52,819 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:52,819 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-05 09:35:52,819 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-05 09:35:52,819 - INFO - problem_instance short name: planted_solution_0006
-2024-12-05 09:35:52,819 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:52,819 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-05 09:35:52,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,820 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,820 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,820 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-05 09:35:52,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-05 09:35:52,820 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-05 09:35:52,829 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,829 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,830 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-05 09:35:52,830 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-05 09:35:52,830 - INFO - problem_instance short name: h2_s_0
-2024-12-05 09:35:52,830 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:52,830 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-05 09:35:52,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,831 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,831 - INFO - number of supporting files: 2
-2024-12-05 09:35:52,831 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-05 09:35:52,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-05 09:35:52,831 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-05 09:35:52,840 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,841 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,841 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-05 09:35:52,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-05 09:35:52,841 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:52,841 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-05 09:35:52,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,842 - INFO - number of orbitals:  119
-2024-12-05 09:35:52,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:52,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:52,842 - INFO - moving on ...
-2024-12-05 09:35:52,842 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-05 09:35:52,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,844 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,844 - INFO - number of supporting files: 2
-2024-12-05 09:35:52,844 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-05 09:35:52,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-05 09:35:52,844 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-05 09:35:52,854 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,854 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,854 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-05 09:35:52,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-05 09:35:52,854 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:52,854 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-05 09:35:52,854 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-05 09:35:52,854 - INFO - problem_instance short name: Fe_0
-2024-12-05 09:35:52,854 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:52,854 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-05 09:35:52,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,856 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,856 - INFO - number of supporting files: 2
-2024-12-05 09:35:52,856 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-05 09:35:52,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-05 09:35:52,856 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-05 09:35:52,865 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,865 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,866 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-05 09:35:52,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-05 09:35:52,866 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:52,866 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-05 09:35:52,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,867 - INFO - number of orbitals:  88
-2024-12-05 09:35:52,867 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:52,867 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:52,867 - INFO - moving on ...
-2024-12-05 09:35:52,867 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-05 09:35:52,867 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-05 09:35:52,867 - INFO - problem_instance short name: c_o_0
-2024-12-05 09:35:52,867 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:52,867 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-05 09:35:52,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,868 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,868 - INFO - number of supporting files: 2
-2024-12-05 09:35:52,868 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-05 09:35:52,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-05 09:35:52,868 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-05 09:35:52,878 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,878 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,878 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-05 09:35:52,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-05 09:35:52,878 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:52,878 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-05 09:35:52,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,879 - INFO - number of orbitals:  110
-2024-12-05 09:35:52,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:52,880 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:52,880 - INFO - moving on ...
-2024-12-05 09:35:52,880 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-05 09:35:52,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,881 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,881 - INFO - number of supporting files: 2
-2024-12-05 09:35:52,881 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-05 09:35:52,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-05 09:35:52,881 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-05 09:35:52,892 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,892 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,892 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-05 09:35:52,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-05 09:35:52,892 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:52,892 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-05 09:35:52,892 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-05 09:35:52,893 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-05 09:35:52,893 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:52,893 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-05 09:35:52,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,894 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,894 - INFO - number of supporting files: 2
-2024-12-05 09:35:52,894 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-05 09:35:52,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-05 09:35:52,894 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-05 09:35:52,904 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,904 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,904 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-05 09:35:52,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-05 09:35:52,904 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:52,904 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-05 09:35:52,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,905 - INFO - number of orbitals:  116
-2024-12-05 09:35:52,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:52,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:52,905 - INFO - moving on ...
-2024-12-05 09:35:52,905 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-05 09:35:52,906 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-05 09:35:52,906 - INFO - problem_instance short name: cr_dimer
-2024-12-05 09:35:52,906 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-05 09:35:52,906 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-05 09:35:52,906 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,906 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,906 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,908 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,908 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,908 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-05 09:35:52,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-05 09:35:52,908 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-05 09:35:52,917 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,918 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,918 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-05 09:35:52,918 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,918 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,918 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,919 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,920 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,920 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-05 09:35:52,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-05 09:35:52,920 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-05 09:35:52,929 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,929 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,929 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-05 09:35:52,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,929 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,931 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,931 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,931 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-05 09:35:52,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-05 09:35:52,932 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-05 09:35:52,941 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,942 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,942 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-05 09:35:52,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,942 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,944 - INFO - number of orbitals:  76
-2024-12-05 09:35:52,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:52,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:52,944 - INFO - moving on ...
-2024-12-05 09:35:52,944 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-05 09:35:52,944 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,944 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,945 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,946 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,946 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-05 09:35:52,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-05 09:35:52,946 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-05 09:35:52,955 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,955 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,955 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-05 09:35:52,955 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,956 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,956 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,957 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,957 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,957 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-05 09:35:52,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-05 09:35:52,957 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-05 09:35:52,967 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,968 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,968 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-05 09:35:52,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,970 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,970 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,970 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-05 09:35:52,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-05 09:35:52,970 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-05 09:35:52,979 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,979 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,979 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-05 09:35:52,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,980 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,981 - INFO - number of orbitals:  76
-2024-12-05 09:35:52,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:52,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:52,981 - INFO - moving on ...
-2024-12-05 09:35:52,982 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-05 09:35:52,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,983 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,983 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,983 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-05 09:35:52,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-05 09:35:52,983 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-05 09:35:52,993 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:52,993 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-05 09:35:52,993 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-05 09:35:52,993 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:52,993 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:52,993 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:52,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:52,995 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:52,995 - INFO - number of supporting files: 1
-2024-12-05 09:35:52,995 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-05 09:35:52,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-05 09:35:52,995 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-05 09:35:53,005 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,005 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,006 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-05 09:35:53,006 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,006 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,006 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,007 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,007 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,008 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-05 09:35:53,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-05 09:35:53,008 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-05 09:35:53,017 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,018 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,018 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-05 09:35:53,018 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,018 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,018 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,020 - INFO - number of orbitals:  76
-2024-12-05 09:35:53,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,020 - INFO - moving on ...
-2024-12-05 09:35:53,020 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-05 09:35:53,020 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-05 09:35:53,020 - INFO - problem_instance short name: MnO_0
-2024-12-05 09:35:53,020 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,020 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-05 09:35:53,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,022 - INFO - number of orbitals:  76
-2024-12-05 09:35:53,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,022 - INFO - moving on ...
-2024-12-05 09:35:53,022 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-05 09:35:53,022 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-05 09:35:53,022 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-05 09:35:53,022 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,022 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-05 09:35:53,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,023 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,023 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,023 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-05 09:35:53,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-05 09:35:53,023 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-05 09:35:53,033 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,034 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,034 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-05 09:35:53,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-05 09:35:53,034 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,034 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-05 09:35:53,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,035 - INFO - number of orbitals:  115
-2024-12-05 09:35:53,035 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,035 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,035 - INFO - moving on ...
-2024-12-05 09:35:53,035 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-05 09:35:53,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,036 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,037 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,037 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-05 09:35:53,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-05 09:35:53,037 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-05 09:35:53,046 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,046 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,046 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-05 09:35:53,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-05 09:35:53,046 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,046 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-05 09:35:53,047 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-05 09:35:53,047 - INFO - problem_instance short name: Mn_0
-2024-12-05 09:35:53,047 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,047 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-05 09:35:53,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,048 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,048 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,048 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-05 09:35:53,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-05 09:35:53,048 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-05 09:35:53,058 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,058 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,058 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-05 09:35:53,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-05 09:35:53,058 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,058 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-05 09:35:53,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,059 - INFO - number of orbitals:  88
-2024-12-05 09:35:53,059 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,059 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,059 - INFO - moving on ...
-2024-12-05 09:35:53,059 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-05 09:35:53,060 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-05 09:35:53,060 - INFO - problem_instance short name: Sc_0
-2024-12-05 09:35:53,060 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,060 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-05 09:35:53,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,061 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,061 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,061 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-05 09:35:53,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-05 09:35:53,061 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-05 09:35:53,071 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,071 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,071 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-05 09:35:53,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-05 09:35:53,071 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,071 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-05 09:35:53,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,073 - INFO - number of orbitals:  135
-2024-12-05 09:35:53,073 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,073 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,073 - INFO - moving on ...
-2024-12-05 09:35:53,073 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-05 09:35:53,074 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,074 - INFO - number of orbitals:  88
-2024-12-05 09:35:53,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,074 - INFO - moving on ...
-2024-12-05 09:35:53,074 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-05 09:35:53,074 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-05 09:35:53,074 - INFO - problem_instance short name: Mn_1
-2024-12-05 09:35:53,074 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,074 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-05 09:35:53,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,075 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,075 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,076 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-05 09:35:53,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-05 09:35:53,076 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-05 09:35:53,086 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,086 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,086 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-05 09:35:53,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-05 09:35:53,086 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,086 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-05 09:35:53,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,088 - INFO - number of orbitals:  88
-2024-12-05 09:35:53,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,088 - INFO - moving on ...
-2024-12-05 09:35:53,088 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-05 09:35:53,088 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-05 09:35:53,088 - INFO - problem_instance short name: planted_solution_0005
-2024-12-05 09:35:53,088 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,088 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-05 09:35:53,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,089 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,089 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,089 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-05 09:35:53,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-05 09:35:53,089 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-05 09:35:53,101 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,101 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,101 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-05 09:35:53,101 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-05 09:35:53,101 - INFO - problem_instance short name: c2_h6_0
-2024-12-05 09:35:53,101 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,101 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-05 09:35:53,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,103 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,103 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,103 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-05 09:35:53,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-05 09:35:53,103 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-05 09:35:53,114 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,114 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,114 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-05 09:35:53,114 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-05 09:35:53,114 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,115 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-05 09:35:53,115 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-05 09:35:53,115 - INFO - problem_instance short name: c_o2_0
-2024-12-05 09:35:53,115 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,115 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-05 09:35:53,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,116 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,116 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,116 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-05 09:35:53,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-05 09:35:53,116 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-05 09:35:53,126 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,127 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,127 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-05 09:35:53,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-05 09:35:53,127 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,127 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-05 09:35:53,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,128 - INFO - number of orbitals:  90
-2024-12-05 09:35:53,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,129 - INFO - moving on ...
-2024-12-05 09:35:53,129 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-05 09:35:53,129 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-05 09:35:53,129 - INFO - problem_instance short name: na_cl_0
-2024-12-05 09:35:53,129 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,129 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-05 09:35:53,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,130 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,130 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,130 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-05 09:35:53,130 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-05 09:35:53,130 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-05 09:35:53,140 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,141 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,141 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-05 09:35:53,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-05 09:35:53,141 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,141 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-05 09:35:53,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,142 - INFO - number of orbitals:  118
-2024-12-05 09:35:53,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,142 - INFO - moving on ...
-2024-12-05 09:35:53,142 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-05 09:35:53,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,144 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,144 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,144 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-05 09:35:53,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-05 09:35:53,144 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-05 09:35:53,153 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,154 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,154 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-05 09:35:53,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-05 09:35:53,154 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,154 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-05 09:35:53,154 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-05 09:35:53,154 - INFO - problem_instance short name: FeO_0
-2024-12-05 09:35:53,154 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,154 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-05 09:35:53,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,156 - INFO - number of orbitals:  76
-2024-12-05 09:35:53,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,156 - INFO - moving on ...
-2024-12-05 09:35:53,156 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-05 09:35:53,156 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-05 09:35:53,156 - INFO - problem_instance short name: ru_macho
-2024-12-05 09:35:53,156 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,156 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-05 09:35:53,156 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,156 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,156 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,158 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,158 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,158 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-05 09:35:53,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-05 09:35:53,158 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-05 09:35:53,168 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,168 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,168 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-05 09:35:53,168 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,168 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,168 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,170 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,170 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,170 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-05 09:35:53,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-05 09:35:53,170 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-05 09:35:53,180 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,181 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,181 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-05 09:35:53,181 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,181 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,181 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,183 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,183 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,183 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-05 09:35:53,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-05 09:35:53,183 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-05 09:35:53,193 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,193 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,194 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-05 09:35:53,194 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,194 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,194 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,195 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,195 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,196 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-05 09:35:53,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-05 09:35:53,196 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-05 09:35:53,206 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,206 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,206 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-05 09:35:53,206 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,206 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,206 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,208 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,208 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,208 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-05 09:35:53,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-05 09:35:53,208 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-05 09:35:53,219 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,219 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,219 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-05 09:35:53,219 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,219 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,219 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,221 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,221 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,221 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-05 09:35:53,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-05 09:35:53,221 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-05 09:35:53,231 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,232 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,232 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-05 09:35:53,232 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,232 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,232 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,234 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,234 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,234 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-05 09:35:53,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-05 09:35:53,234 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-05 09:35:53,245 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,245 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,245 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-05 09:35:53,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,245 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,245 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,247 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,247 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,247 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-05 09:35:53,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-05 09:35:53,247 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-05 09:35:53,257 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,257 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,257 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-05 09:35:53,257 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,257 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,257 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,259 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,259 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,259 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-05 09:35:53,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-05 09:35:53,259 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-05 09:35:53,269 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,270 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,270 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-05 09:35:53,270 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-05 09:35:53,270 - INFO - problem_instance short name: planted_solution_0009
-2024-12-05 09:35:53,270 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,270 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-05 09:35:53,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,271 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,271 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,272 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-05 09:35:53,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-05 09:35:53,272 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-05 09:35:53,281 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,282 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,282 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-05 09:35:53,282 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-05 09:35:53,282 - INFO - problem_instance short name: si_h4_0
-2024-12-05 09:35:53,282 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,282 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-05 09:35:53,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,283 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,284 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,284 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-05 09:35:53,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-05 09:35:53,284 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-05 09:35:53,293 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,294 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,294 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-05 09:35:53,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-05 09:35:53,294 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,294 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-05 09:35:53,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,295 - INFO - number of orbitals:  90
-2024-12-05 09:35:53,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,295 - INFO - moving on ...
-2024-12-05 09:35:53,295 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-05 09:35:53,295 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-05 09:35:53,295 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-05 09:35:53,295 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,295 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-05 09:35:53,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,297 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,297 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,297 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-05 09:35:53,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-05 09:35:53,297 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-05 09:35:53,307 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,307 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,307 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-05 09:35:53,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-05 09:35:53,307 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,307 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-05 09:35:53,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,309 - INFO - number of orbitals:  106
-2024-12-05 09:35:53,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,309 - INFO - moving on ...
-2024-12-05 09:35:53,309 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-05 09:35:53,309 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-05 09:35:53,309 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-05 09:35:53,309 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,309 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-05 09:35:53,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,310 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,310 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,311 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,311 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,311 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-05 09:35:53,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-05 09:35:53,311 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-05 09:35:53,322 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,322 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,322 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-05 09:35:53,322 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,322 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,322 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,324 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,324 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,324 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-05 09:35:53,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-05 09:35:53,324 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-05 09:35:53,335 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,335 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,335 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-05 09:35:53,335 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,335 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,335 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,337 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,337 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,337 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-05 09:35:53,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-05 09:35:53,337 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-05 09:35:53,347 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,348 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,348 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-05 09:35:53,348 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,348 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,348 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,350 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,350 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,350 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-05 09:35:53,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-05 09:35:53,350 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-05 09:35:53,359 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,360 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,360 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-05 09:35:53,360 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,360 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,360 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,362 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,362 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,362 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-05 09:35:53,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-05 09:35:53,362 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-05 09:35:53,372 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,372 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,372 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-05 09:35:53,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,375 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,375 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,375 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-05 09:35:53,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-05 09:35:53,375 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-05 09:35:53,385 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,385 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,385 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-05 09:35:53,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,387 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,387 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,387 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-05 09:35:53,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-05 09:35:53,388 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-05 09:35:53,398 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,398 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,398 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-05 09:35:53,399 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,399 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,399 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,401 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,401 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,401 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-05 09:35:53,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-05 09:35:53,401 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-05 09:35:53,411 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,411 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,411 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-05 09:35:53,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,413 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,413 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,413 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-05 09:35:53,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-05 09:35:53,413 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-05 09:35:53,424 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,424 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,424 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-05 09:35:53,424 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,424 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,424 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,426 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,426 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,426 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-05 09:35:53,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-05 09:35:53,426 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-05 09:35:53,436 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,436 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,437 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-05 09:35:53,437 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,437 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,437 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,438 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,439 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,439 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-05 09:35:53,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-05 09:35:53,439 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-05 09:35:53,449 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,449 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,449 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-05 09:35:53,450 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,450 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,450 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,452 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,452 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,452 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-05 09:35:53,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-05 09:35:53,452 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-05 09:35:53,461 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,462 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,462 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-05 09:35:53,462 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,462 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,462 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,464 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,464 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,464 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-05 09:35:53,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-05 09:35:53,464 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-05 09:35:53,473 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,474 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,474 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-05 09:35:53,474 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,474 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,474 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,476 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,476 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,476 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-05 09:35:53,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-05 09:35:53,476 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-05 09:35:53,486 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,486 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,486 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-05 09:35:53,486 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,486 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,486 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,488 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,488 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,488 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-05 09:35:53,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-05 09:35:53,488 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-05 09:35:53,498 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,498 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,499 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-05 09:35:53,499 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,499 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,499 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,500 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,501 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,501 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-05 09:35:53,501 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-05 09:35:53,501 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-05 09:35:53,511 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,511 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,511 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-05 09:35:53,511 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-05 09:35:53,511 - INFO - problem_instance short name: p_h3_0
-2024-12-05 09:35:53,511 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,511 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-05 09:35:53,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,513 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,513 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,513 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-05 09:35:53,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-05 09:35:53,513 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-05 09:35:53,523 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,523 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,523 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-05 09:35:53,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-05 09:35:53,523 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,523 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-05 09:35:53,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,524 - INFO - number of orbitals:  76
-2024-12-05 09:35:53,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,525 - INFO - moving on ...
-2024-12-05 09:35:53,525 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-05 09:35:53,525 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-05 09:35:53,525 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-05 09:35:53,525 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,525 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-05 09:35:53,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,526 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,526 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,526 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-05 09:35:53,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-05 09:35:53,526 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-05 09:35:53,536 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,536 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,536 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-05 09:35:53,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-05 09:35:53,536 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,536 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-05 09:35:53,536 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-05 09:35:53,536 - INFO - problem_instance short name: li_h_0
-2024-12-05 09:35:53,536 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,536 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-05 09:35:53,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,538 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,538 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,538 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-05 09:35:53,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-05 09:35:53,538 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-05 09:35:53,548 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,548 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,548 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-05 09:35:53,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-05 09:35:53,549 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,549 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-05 09:35:53,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,550 - INFO - number of orbitals:  85
-2024-12-05 09:35:53,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,550 - INFO - moving on ...
-2024-12-05 09:35:53,550 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-05 09:35:53,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,551 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,551 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,551 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-05 09:35:53,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-05 09:35:53,551 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-05 09:35:53,561 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,561 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,562 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-05 09:35:53,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-05 09:35:53,562 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,562 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-05 09:35:53,562 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-05 09:35:53,562 - INFO - problem_instance short name: f2_0
-2024-12-05 09:35:53,562 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,562 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-05 09:35:53,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,563 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,563 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,563 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-05 09:35:53,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-05 09:35:53,563 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-05 09:35:53,573 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,574 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,574 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-05 09:35:53,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-05 09:35:53,574 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,574 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-05 09:35:53,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,575 - INFO - number of orbitals:  110
-2024-12-05 09:35:53,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,575 - INFO - moving on ...
-2024-12-05 09:35:53,575 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-05 09:35:53,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,576 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,577 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,577 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-05 09:35:53,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-05 09:35:53,577 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-05 09:35:53,587 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,587 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,587 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-05 09:35:53,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-05 09:35:53,587 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,587 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-05 09:35:53,587 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-05 09:35:53,587 - INFO - problem_instance short name: li2_0
-2024-12-05 09:35:53,587 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,588 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-05 09:35:53,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,589 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,589 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,589 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-05 09:35:53,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-05 09:35:53,589 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-05 09:35:53,599 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,599 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,599 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-05 09:35:53,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-05 09:35:53,600 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,600 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-05 09:35:53,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,601 - INFO - number of orbitals:  110
-2024-12-05 09:35:53,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,601 - INFO - moving on ...
-2024-12-05 09:35:53,601 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-05 09:35:53,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,602 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,602 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,602 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-05 09:35:53,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-05 09:35:53,603 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-05 09:35:53,613 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,613 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,613 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-05 09:35:53,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-05 09:35:53,613 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,613 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-05 09:35:53,613 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-05 09:35:53,613 - INFO - problem_instance short name: n2_0
-2024-12-05 09:35:53,613 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,613 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-05 09:35:53,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,615 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,615 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,615 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-05 09:35:53,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-05 09:35:53,615 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-05 09:35:53,625 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,625 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,626 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-05 09:35:53,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-05 09:35:53,626 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,626 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-05 09:35:53,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,627 - INFO - number of orbitals:  110
-2024-12-05 09:35:53,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,627 - INFO - moving on ...
-2024-12-05 09:35:53,627 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-05 09:35:53,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,629 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,629 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,629 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-05 09:35:53,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-05 09:35:53,629 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-05 09:35:53,639 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,640 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,640 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-05 09:35:53,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-05 09:35:53,640 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,640 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-05 09:35:53,640 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-05 09:35:53,640 - INFO - problem_instance short name: planted_solution_0002
-2024-12-05 09:35:53,640 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,640 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-05 09:35:53,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,642 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,642 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,642 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-05 09:35:53,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-05 09:35:53,642 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-05 09:35:53,652 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,652 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,652 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-05 09:35:53,652 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-05 09:35:53,652 - INFO - problem_instance short name: benzene
-2024-12-05 09:35:53,652 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,652 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-05 09:35:53,652 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,653 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,653 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,655 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,655 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,655 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-05 09:35:53,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-05 09:35:53,655 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-05 09:35:53,665 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,665 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,665 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-05 09:35:53,665 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,665 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,665 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,667 - INFO - number of orbitals:  108
-2024-12-05 09:35:53,667 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,667 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,667 - INFO - moving on ...
-2024-12-05 09:35:53,668 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-05 09:35:53,668 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-05 09:35:53,668 - INFO - problem_instance short name: cl2_0
-2024-12-05 09:35:53,668 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,668 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-05 09:35:53,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,669 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,669 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,669 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-05 09:35:53,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-05 09:35:53,669 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-05 09:35:53,680 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,680 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,680 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-05 09:35:53,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-05 09:35:53,680 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,680 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-05 09:35:53,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,682 - INFO - number of orbitals:  118
-2024-12-05 09:35:53,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,682 - INFO - moving on ...
-2024-12-05 09:35:53,682 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-05 09:35:53,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,683 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,683 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,683 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-05 09:35:53,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-05 09:35:53,683 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-05 09:35:53,693 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,694 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,694 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-05 09:35:53,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-05 09:35:53,694 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,694 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-05 09:35:53,694 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-05 09:35:53,694 - INFO - problem_instance short name: c2_h4_0
-2024-12-05 09:35:53,694 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,694 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-05 09:35:53,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,696 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,696 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,696 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-05 09:35:53,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-05 09:35:53,696 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-05 09:35:53,706 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,706 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,706 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-05 09:35:53,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-05 09:35:53,706 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,706 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-05 09:35:53,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,707 - INFO - number of orbitals:  116
-2024-12-05 09:35:53,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,707 - INFO - moving on ...
-2024-12-05 09:35:53,707 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-05 09:35:53,708 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-05 09:35:53,708 - INFO - problem_instance short name: h_cl_0
-2024-12-05 09:35:53,708 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,708 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-05 09:35:53,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,709 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,709 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,709 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-05 09:35:53,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-05 09:35:53,709 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-05 09:35:53,719 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,719 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,720 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-05 09:35:53,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-05 09:35:53,720 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,720 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-05 09:35:53,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,721 - INFO - number of orbitals:  89
-2024-12-05 09:35:53,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,721 - INFO - moving on ...
-2024-12-05 09:35:53,721 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-05 09:35:53,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,723 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,723 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,723 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-05 09:35:53,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-05 09:35:53,723 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-05 09:35:53,733 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,733 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,733 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-05 09:35:53,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-05 09:35:53,734 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,734 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-05 09:35:53,734 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-05 09:35:53,734 - INFO - problem_instance short name: planted_solution_0004
-2024-12-05 09:35:53,734 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,734 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-05 09:35:53,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,735 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,735 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,735 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-05 09:35:53,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-05 09:35:53,735 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-05 09:35:53,745 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,745 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,746 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-05 09:35:53,746 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-05 09:35:53,746 - INFO - problem_instance short name: planted_solution_0003
-2024-12-05 09:35:53,746 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,746 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-05 09:35:53,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,747 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,747 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,747 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-05 09:35:53,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-05 09:35:53,747 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-05 09:35:53,757 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,758 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,758 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-05 09:35:53,758 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-05 09:35:53,758 - INFO - problem_instance short name: mo2_n2
-2024-12-05 09:35:53,758 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,758 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-05 09:35:53,758 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,758 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,758 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,760 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,760 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,760 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-05 09:35:53,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-05 09:35:53,760 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-05 09:35:53,770 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,771 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,771 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-05 09:35:53,771 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,771 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,771 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,772 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,773 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,773 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-05 09:35:53,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-05 09:35:53,773 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-05 09:35:53,783 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,783 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,783 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-05 09:35:53,783 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,783 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,783 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,785 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,785 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,785 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-05 09:35:53,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-05 09:35:53,785 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-05 09:35:53,795 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,795 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,796 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-05 09:35:53,796 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-05 09:35:53,796 - INFO - problem_instance short name: Sc_1
-2024-12-05 09:35:53,796 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,796 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-05 09:35:53,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,798 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,798 - INFO - number of supporting files: 2
-2024-12-05 09:35:53,798 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-05 09:35:53,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-05 09:35:53,798 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-05 09:35:53,808 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,808 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,808 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-05 09:35:53,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-05 09:35:53,809 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:53,809 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-05 09:35:53,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,810 - INFO - number of orbitals:  135
-2024-12-05 09:35:53,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,810 - INFO - moving on ...
-2024-12-05 09:35:53,810 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-05 09:35:53,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,811 - INFO - number of orbitals:  88
-2024-12-05 09:35:53,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,811 - INFO - moving on ...
-2024-12-05 09:35:53,811 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-05 09:35:53,812 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-05 09:35:53,812 - INFO - problem_instance short name: fe_red
-2024-12-05 09:35:53,812 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,812 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-05 09:35:53,812 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,812 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,812 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,813 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,814 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,814 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-05 09:35:53,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-05 09:35:53,814 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-05 09:35:53,823 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,823 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,823 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-05 09:35:53,823 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,823 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,823 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,825 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,825 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,825 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-05 09:35:53,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-05 09:35:53,825 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-05 09:35:53,835 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,835 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,835 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-05 09:35:53,835 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,835 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,835 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,837 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,837 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,837 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-05 09:35:53,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-05 09:35:53,837 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-05 09:35:53,846 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,847 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,847 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-05 09:35:53,847 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,847 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,847 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,848 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,849 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,849 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-05 09:35:53,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-05 09:35:53,849 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-05 09:35:53,858 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,859 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,859 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-05 09:35:53,859 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,859 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,859 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,860 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,860 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,860 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-05 09:35:53,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-05 09:35:53,861 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-05 09:35:53,871 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,871 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,871 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-05 09:35:53,871 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,873 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,873 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,873 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-05 09:35:53,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-05 09:35:53,873 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-05 09:35:53,883 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,883 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,883 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-05 09:35:53,883 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,883 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,883 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,885 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,885 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,885 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-05 09:35:53,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-05 09:35:53,885 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-05 09:35:53,895 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,895 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,896 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-05 09:35:53,896 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,896 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,896 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,898 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,898 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,898 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-05 09:35:53,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-05 09:35:53,898 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-05 09:35:53,908 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,908 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,908 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-05 09:35:53,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,909 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,909 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,910 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,910 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,911 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-05 09:35:53,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-05 09:35:53,911 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-05 09:35:53,920 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,921 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,921 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-05 09:35:53,921 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-05 09:35:53,921 - INFO - problem_instance short name: planted_solution_0008
-2024-12-05 09:35:53,921 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,921 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-05 09:35:53,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,922 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,922 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,922 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-05 09:35:53,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-05 09:35:53,922 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-05 09:35:53,932 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,932 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,933 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-05 09:35:53,933 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-05 09:35:53,933 - INFO - problem_instance short name: planted_solution_0001
-2024-12-05 09:35:53,933 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,933 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-05 09:35:53,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,934 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,934 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,934 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-05 09:35:53,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-05 09:35:53,934 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-05 09:35:53,944 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,944 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,945 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-05 09:35:53,945 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-05 09:35:53,945 - INFO - problem_instance short name: TiO_0
-2024-12-05 09:35:53,945 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,945 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-05 09:35:53,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,946 - INFO - number of orbitals:  76
-2024-12-05 09:35:53,946 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,946 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,946 - INFO - moving on ...
-2024-12-05 09:35:53,946 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-05 09:35:53,946 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-05 09:35:53,946 - INFO - problem_instance short name: ozone
-2024-12-05 09:35:53,946 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-05 09:35:53,947 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-05 09:35:53,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,947 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,948 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,948 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,948 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-05 09:35:53,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-05 09:35:53,949 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-05 09:35:53,959 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,959 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,959 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-05 09:35:53,959 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,959 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,959 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,961 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,961 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,961 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-05 09:35:53,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-05 09:35:53,961 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-05 09:35:53,971 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,971 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,971 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-05 09:35:53,971 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,972 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,972 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,973 - INFO - number of orbitals:  90
-2024-12-05 09:35:53,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:53,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:53,973 - INFO - moving on ...
-2024-12-05 09:35:53,973 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-05 09:35:53,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,974 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,975 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,975 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,975 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-05 09:35:53,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-05 09:35:53,975 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-05 09:35:53,985 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,985 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,985 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-05 09:35:53,985 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:53,987 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:53,987 - INFO - number of supporting files: 1
-2024-12-05 09:35:53,987 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-05 09:35:53,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-05 09:35:53,987 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-05 09:35:53,997 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:53,998 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-05 09:35:53,998 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-05 09:35:53,998 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:53,998 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:53,998 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:53,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,000 - INFO - number of orbitals:  90
-2024-12-05 09:35:54,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:54,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:54,000 - INFO - moving on ...
-2024-12-05 09:35:54,000 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-05 09:35:54,000 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-05 09:35:54,000 - INFO - problem_instance short name: ScO_0
-2024-12-05 09:35:54,000 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,000 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-05 09:35:54,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,001 - INFO - number of orbitals:  76
-2024-12-05 09:35:54,002 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:54,002 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:54,002 - INFO - moving on ...
-2024-12-05 09:35:54,002 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-05 09:35:54,002 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-05 09:35:54,002 - INFO - problem_instance short name: li_f_0
-2024-12-05 09:35:54,002 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,002 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-05 09:35:54,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,003 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,003 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,003 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-05 09:35:54,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-05 09:35:54,003 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-05 09:35:54,013 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,014 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,014 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-05 09:35:54,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-05 09:35:54,014 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:54,014 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-05 09:35:54,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,015 - INFO - number of orbitals:  110
-2024-12-05 09:35:54,015 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:54,015 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:54,015 - INFO - moving on ...
-2024-12-05 09:35:54,015 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-05 09:35:54,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,017 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,017 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,017 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-05 09:35:54,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-05 09:35:54,017 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-05 09:35:54,026 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,027 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,027 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-05 09:35:54,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-05 09:35:54,027 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:54,027 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-05 09:35:54,027 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-05 09:35:54,027 - INFO - problem_instance short name: Cu_1
-2024-12-05 09:35:54,027 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,027 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-05 09:35:54,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,028 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,028 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,028 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-05 09:35:54,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-05 09:35:54,028 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-05 09:35:54,038 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,039 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,039 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-05 09:35:54,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-05 09:35:54,039 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:54,039 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-05 09:35:54,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,040 - INFO - number of orbitals:  88
-2024-12-05 09:35:54,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:54,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:54,040 - INFO - moving on ...
-2024-12-05 09:35:54,040 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-05 09:35:54,040 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-05 09:35:54,040 - INFO - problem_instance short name: h2_o2_0
-2024-12-05 09:35:54,040 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,040 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-05 09:35:54,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,042 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,042 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,042 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-05 09:35:54,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-05 09:35:54,042 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-05 09:35:54,051 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,052 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,052 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-05 09:35:54,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-05 09:35:54,052 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:54,052 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-05 09:35:54,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,053 - INFO - number of orbitals:  88
-2024-12-05 09:35:54,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:54,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:54,053 - INFO - moving on ...
-2024-12-05 09:35:54,053 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-05 09:35:54,053 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-05 09:35:54,053 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-05 09:35:54,053 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,053 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-05 09:35:54,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,055 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,055 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,055 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-05 09:35:54,055 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-05 09:35:54,055 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-05 09:35:54,065 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,065 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,065 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-05 09:35:54,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-05 09:35:54,065 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:54,065 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-05 09:35:54,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,066 - INFO - number of orbitals:  119
-2024-12-05 09:35:54,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:54,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:54,067 - INFO - moving on ...
-2024-12-05 09:35:54,067 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-05 09:35:54,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,068 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,068 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,068 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-05 09:35:54,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-05 09:35:54,068 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-05 09:35:54,077 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,078 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,078 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-05 09:35:54,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-05 09:35:54,078 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:54,078 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-05 09:35:54,078 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-05 09:35:54,078 - INFO - problem_instance short name: si2_h6_0
-2024-12-05 09:35:54,078 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,078 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-05 09:35:54,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,080 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,080 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,080 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-05 09:35:54,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-05 09:35:54,080 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-05 09:35:54,090 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,090 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,091 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-05 09:35:54,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-05 09:35:54,091 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:54,091 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-05 09:35:54,091 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-05 09:35:54,091 - INFO - problem_instance short name: h_o_cl_0
-2024-12-05 09:35:54,091 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,091 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-05 09:35:54,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,092 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,092 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,092 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-05 09:35:54,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-05 09:35:54,092 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-05 09:35:54,102 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,102 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,102 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-05 09:35:54,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-05 09:35:54,103 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:54,103 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-05 09:35:54,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,104 - INFO - number of orbitals:  78
-2024-12-05 09:35:54,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 09:35:54,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 09:35:54,104 - INFO - moving on ...
-2024-12-05 09:35:54,104 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-05 09:35:54,104 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-05 09:35:54,104 - INFO - problem_instance short name: planted_solution_0007
-2024-12-05 09:35:54,104 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,104 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-05 09:35:54,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,106 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,106 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,106 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-05 09:35:54,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-05 09:35:54,106 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-05 09:35:54,115 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,115 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,116 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-05 09:35:54,116 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-05 09:35:54,116 - INFO - problem_instance short name: blue_dimer
-2024-12-05 09:35:54,116 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,116 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-05 09:35:54,116 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,116 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,116 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,118 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,118 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,118 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-05 09:35:54,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-05 09:35:54,118 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-05 09:35:54,128 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,128 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,128 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-05 09:35:54,128 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,128 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,128 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,130 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,130 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,130 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-05 09:35:54,130 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-05 09:35:54,130 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-05 09:35:54,140 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,141 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,141 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-05 09:35:54,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,143 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,143 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,143 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-05 09:35:54,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-05 09:35:54,143 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-05 09:35:54,153 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,153 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,153 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-05 09:35:54,154 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,154 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,154 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,155 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,156 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,156 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-05 09:35:54,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-05 09:35:54,156 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-05 09:35:54,166 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,166 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,166 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-05 09:35:54,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,168 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,168 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,168 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-05 09:35:54,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-05 09:35:54,168 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-05 09:35:54,178 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,179 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,179 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-05 09:35:54,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,181 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,181 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,181 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-05 09:35:54,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-05 09:35:54,181 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-05 09:35:54,192 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,192 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,192 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-05 09:35:54,192 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,193 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,193 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,194 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,194 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,194 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-05 09:35:54,194 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-05 09:35:54,194 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-05 09:35:54,204 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,204 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,205 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-05 09:35:54,205 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,205 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,207 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,207 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,207 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-05 09:35:54,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-05 09:35:54,207 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-05 09:35:54,217 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,217 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,217 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-05 09:35:54,217 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,217 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,217 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,219 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,219 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,219 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-05 09:35:54,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-05 09:35:54,219 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-05 09:35:54,229 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,229 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,229 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-05 09:35:54,229 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,230 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,230 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,231 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,231 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,231 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-05 09:35:54,231 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-05 09:35:54,232 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-05 09:35:54,241 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,242 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,242 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-05 09:35:54,242 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,242 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,242 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,243 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,244 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,244 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-05 09:35:54,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-05 09:35:54,244 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-05 09:35:54,253 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,253 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,253 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-05 09:35:54,253 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 09:35:54,254 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 09:35:54,254 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 09:35:54,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,255 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,255 - INFO - number of supporting files: 1
-2024-12-05 09:35:54,255 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-05 09:35:54,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-05 09:35:54,255 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-05 09:35:54,265 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,265 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,266 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-05 09:35:54,266 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-05 09:35:54,266 - INFO - problem_instance short name: h_c_n_0
-2024-12-05 09:35:54,266 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 09:35:54,266 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-05 09:35:54,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,267 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,267 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,267 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-05 09:35:54,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-05 09:35:54,267 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-05 09:35:54,277 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,277 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-05 09:35:54,277 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-05 09:35:54,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-05 09:35:54,277 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 09:35:54,277 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-05 09:35:54,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 09:35:54,279 - INFO - attempting to process the Hamiltonian...
-2024-12-05 09:35:54,279 - INFO - number of supporting files: 2
-2024-12-05 09:35:54,279 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-05 09:35:54,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-05 09:35:54,279 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-05 09:35:54,289 - INFO - number of entries in Hamiltonian_features.csv:  167
-2024-12-05 09:35:54,289 - INFO - did NOT find instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de in database.
-2024-12-05 09:35:54,289 - INFO - Processing instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de ...
-2024-12-05 09:35:54,289 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz...
-2024-12-05 09:35:54,294 - INFO - Connected (version 2.0, client 0)
-2024-12-05 09:35:54,808 - INFO - Authentication (publickey) successful!
-2024-12-05 09:35:54,833 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 09:35:59,137 - INFO - [chan 0] sftp session closed.
-2024-12-05 09:35:59,137 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 09:35:59,137 - INFO - decompressing file fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz...
-2024-12-05 09:35:59,990 - INFO - this script has been running for 23.49 hours.
-2024-12-05 09:35:59,990 - INFO - ===============================================
-2024-12-05 09:35:59,990 - INFO - calculating Hamiltonian features...
-2024-12-05 09:35:59,990 - INFO - reading data from fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de
-2024-12-05 09:36:07,497 - INFO - finished reading FCIDUMP data.
-2024-12-05 09:36:07,497 - INFO - data['NORB']: 74
-2024-12-05 09:36:07,497 - INFO - len(data['H1']): 74
-2024-12-05 09:36:07,497 - INFO - ao2mo.restore...
-2024-12-05 09:36:07,543 - INFO - done.
-2024-12-05 09:36:07,543 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 09:36:07,543 - INFO - done.
-2024-12-05 09:36:07,543 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 10:30:03,303 - INFO - done.
-2024-12-05 10:30:03,303 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 10:35:07,373 - INFO - done.
-2024-12-05 10:35:07,373 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 10:35:39,968 - INFO - done.
-2024-12-05 10:35:39,968 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 10:35:46,545 - INFO - done.
-2024-12-05 10:35:46,545 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 10:35:46,545 - INFO - done.
-2024-12-05 10:35:46,545 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 10:35:46,546 - INFO - done.
-2024-12-05 10:35:49,275 - INFO - Hamiltonian features calculation run time (seconds): 3589.285261
-2024-12-05 10:35:49,276 - INFO - wrote df_eigs to file: df_eigs.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.bin
-2024-12-05 10:35:49,276 - INFO - deleting file fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-05 10:35:49,294 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 10:35:49,301 - INFO - this script has been running for 24.49 hours.
-2024-12-05 10:35:49,301 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-05 10:35:49,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-05 10:35:49,301 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,301 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-05 10:35:49,301 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-05 10:35:49,301 - INFO - problem_instance short name: VO_0
-2024-12-05 10:35:49,301 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,301 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-05 10:35:49,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,303 - INFO - number of orbitals:  76
-2024-12-05 10:35:49,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,303 - INFO - moving on ...
-2024-12-05 10:35:49,303 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-05 10:35:49,303 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-05 10:35:49,303 - INFO - problem_instance short name: c_s_0
-2024-12-05 10:35:49,303 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,303 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-05 10:35:49,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,304 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,305 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,305 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-05 10:35:49,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-05 10:35:49,305 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-05 10:35:49,314 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,315 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,315 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-05 10:35:49,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-05 10:35:49,315 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,315 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-05 10:35:49,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,316 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,316 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,316 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-05 10:35:49,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-05 10:35:49,316 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-05 10:35:49,326 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,326 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,326 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-05 10:35:49,326 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-05 10:35:49,326 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,326 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-05 10:35:49,326 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-05 10:35:49,326 - INFO - problem_instance short name: Cr_0
-2024-12-05 10:35:49,327 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,327 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-05 10:35:49,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,328 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,328 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,328 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-05 10:35:49,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-05 10:35:49,328 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-05 10:35:49,338 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,338 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,338 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-05 10:35:49,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-05 10:35:49,338 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,338 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-05 10:35:49,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,339 - INFO - number of orbitals:  88
-2024-12-05 10:35:49,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,339 - INFO - moving on ...
-2024-12-05 10:35:49,339 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-05 10:35:49,340 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-05 10:35:49,340 - INFO - problem_instance short name: mn_mono
-2024-12-05 10:35:49,340 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,340 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-05 10:35:49,340 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,340 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,340 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,341 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,342 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,342 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-05 10:35:49,342 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-05 10:35:49,342 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-05 10:35:49,351 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,351 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,351 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-05 10:35:49,351 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,352 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,352 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,353 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,353 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,353 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-05 10:35:49,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-05 10:35:49,353 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-05 10:35:49,363 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,363 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,363 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-05 10:35:49,363 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,363 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,364 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,365 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,365 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,365 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-05 10:35:49,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-05 10:35:49,365 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-05 10:35:49,375 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,375 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,375 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-05 10:35:49,375 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,375 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,375 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,377 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,377 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,377 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-05 10:35:49,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-05 10:35:49,377 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-05 10:35:49,387 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,387 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,387 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-05 10:35:49,387 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,387 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,387 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,389 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,389 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,389 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-05 10:35:49,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-05 10:35:49,389 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-05 10:35:49,399 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,399 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,399 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-05 10:35:49,399 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,399 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,399 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,401 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,401 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,401 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-05 10:35:49,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-05 10:35:49,401 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-05 10:35:49,411 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,411 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,411 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-05 10:35:49,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,413 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,413 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,413 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-05 10:35:49,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-05 10:35:49,413 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-05 10:35:49,422 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,423 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,423 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-05 10:35:49,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,425 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,425 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,425 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-05 10:35:49,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-05 10:35:49,425 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-05 10:35:49,433 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,434 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,434 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-05 10:35:49,434 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-05 10:35:49,434 - INFO - problem_instance short name: Fe_1
-2024-12-05 10:35:49,434 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,434 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-05 10:35:49,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,435 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,435 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,435 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-05 10:35:49,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-05 10:35:49,435 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-05 10:35:49,444 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,444 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,445 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-05 10:35:49,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-05 10:35:49,445 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,445 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-05 10:35:49,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,446 - INFO - number of orbitals:  88
-2024-12-05 10:35:49,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,446 - INFO - moving on ...
-2024-12-05 10:35:49,446 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-05 10:35:49,446 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-05 10:35:49,446 - INFO - problem_instance short name: planted_solution_0011
-2024-12-05 10:35:49,446 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,446 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-05 10:35:49,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,448 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,448 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,448 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-05 10:35:49,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-05 10:35:49,448 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-05 10:35:49,457 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,458 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,458 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-05 10:35:49,458 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-05 10:35:49,458 - INFO - problem_instance short name: Cu_0
-2024-12-05 10:35:49,458 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,458 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-05 10:35:49,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,459 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,459 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,459 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-05 10:35:49,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-05 10:35:49,459 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-05 10:35:49,468 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,468 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,469 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-05 10:35:49,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-05 10:35:49,469 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,469 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-05 10:35:49,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,470 - INFO - number of orbitals:  88
-2024-12-05 10:35:49,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,470 - INFO - moving on ...
-2024-12-05 10:35:49,470 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-05 10:35:49,470 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-05 10:35:49,470 - INFO - problem_instance short name: V_1
-2024-12-05 10:35:49,470 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,470 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-05 10:35:49,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,472 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,472 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,472 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-05 10:35:49,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-05 10:35:49,472 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-05 10:35:49,481 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,481 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,481 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-05 10:35:49,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-05 10:35:49,481 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,481 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-05 10:35:49,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,483 - INFO - number of orbitals:  88
-2024-12-05 10:35:49,483 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,483 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,483 - INFO - moving on ...
-2024-12-05 10:35:49,483 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-05 10:35:49,483 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-05 10:35:49,483 - INFO - problem_instance short name: mo_n2
-2024-12-05 10:35:49,483 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,483 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-05 10:35:49,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,485 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,485 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,485 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-05 10:35:49,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-05 10:35:49,485 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-05 10:35:49,494 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,495 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,495 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-05 10:35:49,495 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,495 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,495 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,496 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,496 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,496 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-05 10:35:49,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-05 10:35:49,497 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-05 10:35:49,505 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,506 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,506 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-05 10:35:49,506 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,506 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,506 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,507 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,507 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,507 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-05 10:35:49,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-05 10:35:49,507 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-05 10:35:49,516 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,517 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,517 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-05 10:35:49,517 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,517 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,517 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,518 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,519 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,519 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-05 10:35:49,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-05 10:35:49,519 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-05 10:35:49,528 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,528 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,528 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-05 10:35:49,529 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-05 10:35:49,529 - INFO - problem_instance short name: ru_mono
-2024-12-05 10:35:49,529 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,529 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-05 10:35:49,529 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,529 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,529 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,530 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,531 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,531 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-05 10:35:49,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-05 10:35:49,531 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-05 10:35:49,540 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,540 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,541 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-05 10:35:49,541 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,542 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,542 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,543 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-05 10:35:49,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-05 10:35:49,543 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-05 10:35:49,552 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,552 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,552 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-05 10:35:49,552 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,552 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,552 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,554 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,554 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,554 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-05 10:35:49,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-05 10:35:49,554 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-05 10:35:49,564 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,564 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,564 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-05 10:35:49,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,567 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,567 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,568 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-05 10:35:49,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-05 10:35:49,568 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-05 10:35:49,578 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,578 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,578 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-05 10:35:49,578 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,578 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,578 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,580 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,580 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,580 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-05 10:35:49,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-05 10:35:49,580 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-05 10:35:49,590 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,590 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,590 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-05 10:35:49,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 10:35:49,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 10:35:49,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 10:35:49,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,592 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,592 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,592 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-05 10:35:49,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-05 10:35:49,592 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-05 10:35:49,602 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,602 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,602 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-05 10:35:49,602 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-05 10:35:49,602 - INFO - problem_instance short name: be_0
-2024-12-05 10:35:49,602 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,602 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-05 10:35:49,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,604 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,604 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,604 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-05 10:35:49,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-05 10:35:49,604 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-05 10:35:49,613 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,614 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,614 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-05 10:35:49,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-05 10:35:49,614 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,614 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-05 10:35:49,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,615 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,615 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,615 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-05 10:35:49,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-05 10:35:49,616 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-05 10:35:49,625 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,626 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,626 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-05 10:35:49,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-05 10:35:49,626 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,626 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-05 10:35:49,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,627 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,627 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,627 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-05 10:35:49,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-05 10:35:49,627 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-05 10:35:49,637 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,637 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,637 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-05 10:35:49,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-05 10:35:49,637 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,637 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-05 10:35:49,637 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-05 10:35:49,637 - INFO - problem_instance short name: na2_0
-2024-12-05 10:35:49,637 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,637 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-05 10:35:49,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,639 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,639 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,639 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-05 10:35:49,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-05 10:35:49,639 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-05 10:35:49,648 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,648 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,648 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-05 10:35:49,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-05 10:35:49,648 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,648 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-05 10:35:49,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,650 - INFO - number of orbitals:  118
-2024-12-05 10:35:49,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,650 - INFO - moving on ...
-2024-12-05 10:35:49,650 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-05 10:35:49,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,651 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,651 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,651 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-05 10:35:49,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-05 10:35:49,651 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-05 10:35:49,660 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,661 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,661 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-05 10:35:49,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-05 10:35:49,661 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,661 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-05 10:35:49,661 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-05 10:35:49,661 - INFO - problem_instance short name: planted_solution_0010
-2024-12-05 10:35:49,661 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,661 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-05 10:35:49,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,662 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,662 - INFO - number of supporting files: 1
-2024-12-05 10:35:49,662 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-05 10:35:49,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-05 10:35:49,663 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-05 10:35:49,672 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,672 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,672 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-05 10:35:49,673 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-05 10:35:49,673 - INFO - problem_instance short name: V_0
-2024-12-05 10:35:49,673 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,673 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-05 10:35:49,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,674 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,674 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,674 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-05 10:35:49,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-05 10:35:49,674 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-05 10:35:49,683 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,684 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,684 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-05 10:35:49,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-05 10:35:49,684 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,684 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-05 10:35:49,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,685 - INFO - number of orbitals:  88
-2024-12-05 10:35:49,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,685 - INFO - moving on ...
-2024-12-05 10:35:49,685 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-05 10:35:49,686 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-05 10:35:49,686 - INFO - problem_instance short name: si_o_0
-2024-12-05 10:35:49,686 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,686 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-05 10:35:49,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,687 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,687 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,687 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-05 10:35:49,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-05 10:35:49,687 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-05 10:35:49,696 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,697 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,697 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-05 10:35:49,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-05 10:35:49,697 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,697 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-05 10:35:49,698 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,698 - INFO - number of orbitals:  114
-2024-12-05 10:35:49,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,698 - INFO - moving on ...
-2024-12-05 10:35:49,698 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-05 10:35:49,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,699 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,700 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,700 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-05 10:35:49,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-05 10:35:49,700 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-05 10:35:49,709 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,710 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,710 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-05 10:35:49,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-05 10:35:49,710 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,710 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-05 10:35:49,710 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-05 10:35:49,710 - INFO - problem_instance short name: s_o2_0
-2024-12-05 10:35:49,710 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,710 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-05 10:35:49,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,711 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,711 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,711 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-05 10:35:49,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-05 10:35:49,712 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-05 10:35:49,721 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,722 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,722 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-05 10:35:49,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-05 10:35:49,722 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,722 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-05 10:35:49,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,723 - INFO - number of orbitals:  94
-2024-12-05 10:35:49,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,723 - INFO - moving on ...
-2024-12-05 10:35:49,723 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-05 10:35:49,724 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-05 10:35:49,724 - INFO - problem_instance short name: h2_o_0
-2024-12-05 10:35:49,724 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,724 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-05 10:35:49,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,725 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,725 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,725 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-05 10:35:49,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-05 10:35:49,725 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-05 10:35:49,735 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,735 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,735 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-05 10:35:49,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-05 10:35:49,735 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,735 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-05 10:35:49,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,736 - INFO - number of orbitals:  115
-2024-12-05 10:35:49,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 10:35:49,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 10:35:49,737 - INFO - moving on ...
-2024-12-05 10:35:49,737 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-05 10:35:49,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,738 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,738 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,738 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-05 10:35:49,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-05 10:35:49,738 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-05 10:35:49,747 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,747 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,748 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-05 10:35:49,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-05 10:35:49,748 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,748 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-05 10:35:49,748 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-05 10:35:49,748 - INFO - problem_instance short name: n_h3_0
-2024-12-05 10:35:49,748 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 10:35:49,748 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-05 10:35:49,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,749 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,749 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,749 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-05 10:35:49,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-05 10:35:49,749 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-05 10:35:49,759 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,759 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-05 10:35:49,759 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-05 10:35:49,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-05 10:35:49,759 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 10:35:49,759 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-05 10:35:49,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 10:35:49,760 - INFO - attempting to process the Hamiltonian...
-2024-12-05 10:35:49,760 - INFO - number of supporting files: 2
-2024-12-05 10:35:49,760 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-05 10:35:49,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-05 10:35:49,761 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-05 10:35:49,770 - INFO - number of entries in Hamiltonian_features.csv:  168
-2024-12-05 10:35:49,770 - INFO - did NOT find instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 in database.
-2024-12-05 10:35:49,770 - INFO - Processing instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 ...
-2024-12-05 10:35:49,770 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz...
-2024-12-05 10:35:49,776 - INFO - Connected (version 2.0, client 0)
-2024-12-05 10:35:50,312 - INFO - Authentication (publickey) successful!
-2024-12-05 10:35:50,332 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 10:36:07,679 - INFO - [chan 0] sftp session closed.
-2024-12-05 10:36:07,679 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 10:36:07,679 - INFO - decompressing file fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz...
-2024-12-05 10:36:09,422 - INFO - this script has been running for 24.49 hours.
-2024-12-05 10:36:09,422 - INFO - ===============================================
-2024-12-05 10:36:09,422 - INFO - calculating Hamiltonian features...
-2024-12-05 10:36:09,422 - INFO - reading data from fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6
-2024-12-05 10:36:23,689 - INFO - finished reading FCIDUMP data.
-2024-12-05 10:36:23,689 - INFO - data['NORB']: 72
-2024-12-05 10:36:23,689 - INFO - len(data['H1']): 72
-2024-12-05 10:36:23,690 - INFO - ao2mo.restore...
-2024-12-05 10:36:23,730 - INFO - done.
-2024-12-05 10:36:23,730 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 10:36:23,730 - INFO - done.
-2024-12-05 10:36:23,730 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 12:23:12,545 - INFO - done.
-2024-12-05 12:23:12,545 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 12:32:10,588 - INFO - done.
-2024-12-05 12:32:10,588 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 12:33:15,174 - INFO - done.
-2024-12-05 12:33:15,174 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 12:33:21,249 - INFO - done.
-2024-12-05 12:33:21,250 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 12:33:21,250 - INFO - done.
-2024-12-05 12:33:21,250 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 12:33:21,250 - INFO - done.
-2024-12-05 12:33:26,260 - INFO - Hamiltonian features calculation run time (seconds): 7036.838184
-2024-12-05 12:33:26,263 - INFO - wrote df_eigs to file: df_eigs.3b423f54-aa64-4331-a59b-d6c37de1fbb6.bin
-2024-12-05 12:33:26,263 - INFO - deleting file fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-05 12:33:26,299 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 12:33:26,306 - INFO - this script has been running for 26.45 hours.
-2024-12-05 12:33:26,307 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-05 12:33:26,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-05 12:33:26,307 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,307 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-05 12:33:26,307 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-05 12:33:26,307 - INFO - problem_instance short name: CrO_0
-2024-12-05 12:33:26,307 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,307 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-05 12:33:26,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,308 - INFO - number of orbitals:  76
-2024-12-05 12:33:26,308 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,309 - INFO - moving on ...
-2024-12-05 12:33:26,309 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-05 12:33:26,309 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-05 12:33:26,309 - INFO - problem_instance short name: h_f_0
-2024-12-05 12:33:26,309 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,309 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-05 12:33:26,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,310 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,310 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,310 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-05 12:33:26,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-05 12:33:26,310 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-05 12:33:26,320 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,321 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,321 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-05 12:33:26,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-05 12:33:26,321 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,321 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-05 12:33:26,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,322 - INFO - number of orbitals:  85
-2024-12-05 12:33:26,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,322 - INFO - moving on ...
-2024-12-05 12:33:26,322 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-05 12:33:26,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,324 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,324 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,324 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-05 12:33:26,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-05 12:33:26,324 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-05 12:33:26,334 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,334 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,334 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-05 12:33:26,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-05 12:33:26,334 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,334 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-05 12:33:26,334 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-05 12:33:26,334 - INFO - problem_instance short name: c2_h2_0
-2024-12-05 12:33:26,335 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,335 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-05 12:33:26,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,336 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,336 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,336 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-05 12:33:26,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-05 12:33:26,336 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-05 12:33:26,346 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,346 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,346 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-05 12:33:26,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-05 12:33:26,346 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,346 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-05 12:33:26,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,348 - INFO - number of orbitals:  88
-2024-12-05 12:33:26,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,348 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,348 - INFO - moving on ...
-2024-12-05 12:33:26,348 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-05 12:33:26,348 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-05 12:33:26,348 - INFO - problem_instance short name: c_h4_0
-2024-12-05 12:33:26,348 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,348 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-05 12:33:26,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,349 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,349 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,349 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-05 12:33:26,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-05 12:33:26,350 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-05 12:33:26,360 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,360 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,360 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-05 12:33:26,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-05 12:33:26,360 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,361 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-05 12:33:26,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,362 - INFO - number of orbitals:  86
-2024-12-05 12:33:26,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,362 - INFO - moving on ...
-2024-12-05 12:33:26,362 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-05 12:33:26,362 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-05 12:33:26,362 - INFO - problem_instance short name: CuO_0
-2024-12-05 12:33:26,362 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,362 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-05 12:33:26,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,364 - INFO - number of orbitals:  76
-2024-12-05 12:33:26,364 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,364 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,364 - INFO - moving on ...
-2024-12-05 12:33:26,364 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-05 12:33:26,364 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-05 12:33:26,364 - INFO - problem_instance short name: h2_c_o_0
-2024-12-05 12:33:26,364 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,364 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-05 12:33:26,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,365 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,365 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,365 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-05 12:33:26,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-05 12:33:26,365 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-05 12:33:26,376 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,376 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,376 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-05 12:33:26,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-05 12:33:26,376 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,376 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-05 12:33:26,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,378 - INFO - number of orbitals:  88
-2024-12-05 12:33:26,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,378 - INFO - moving on ...
-2024-12-05 12:33:26,378 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-05 12:33:26,378 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-05 12:33:26,378 - INFO - problem_instance short name: Ti_1
-2024-12-05 12:33:26,378 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,378 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-05 12:33:26,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,379 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,379 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,379 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-05 12:33:26,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-05 12:33:26,379 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-05 12:33:26,389 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,390 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,390 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-05 12:33:26,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-05 12:33:26,390 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,390 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-05 12:33:26,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,392 - INFO - number of orbitals:  88
-2024-12-05 12:33:26,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,392 - INFO - moving on ...
-2024-12-05 12:33:26,392 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-05 12:33:26,392 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-05 12:33:26,392 - INFO - problem_instance short name: p2_0
-2024-12-05 12:33:26,392 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,392 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-05 12:33:26,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,393 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,393 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,393 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-05 12:33:26,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-05 12:33:26,393 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-05 12:33:26,404 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,404 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,404 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-05 12:33:26,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-05 12:33:26,404 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,404 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-05 12:33:26,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,406 - INFO - number of orbitals:  118
-2024-12-05 12:33:26,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,406 - INFO - moving on ...
-2024-12-05 12:33:26,406 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-05 12:33:26,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,407 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,407 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,407 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-05 12:33:26,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-05 12:33:26,407 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-05 12:33:26,418 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,418 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,418 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-05 12:33:26,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-05 12:33:26,418 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,418 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-05 12:33:26,418 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-05 12:33:26,418 - INFO - problem_instance short name: n2_h4_0
-2024-12-05 12:33:26,418 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,419 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-05 12:33:26,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,420 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,420 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,420 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-05 12:33:26,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-05 12:33:26,420 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-05 12:33:26,431 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,431 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,431 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-05 12:33:26,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-05 12:33:26,431 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,431 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-05 12:33:26,432 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-05 12:33:26,432 - INFO - problem_instance short name: O_1
-2024-12-05 12:33:26,432 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,432 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-05 12:33:26,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,433 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,433 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,433 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-05 12:33:26,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-05 12:33:26,433 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-05 12:33:26,444 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,444 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,444 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-05 12:33:26,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-05 12:33:26,445 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,445 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-05 12:33:26,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,446 - INFO - number of orbitals:  79
-2024-12-05 12:33:26,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,446 - INFO - moving on ...
-2024-12-05 12:33:26,446 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-05 12:33:26,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,448 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,448 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,448 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-05 12:33:26,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-05 12:33:26,448 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-05 12:33:26,458 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,458 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,458 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-05 12:33:26,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-05 12:33:26,458 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,458 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-05 12:33:26,458 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-05 12:33:26,458 - INFO - problem_instance short name: Cr_1
-2024-12-05 12:33:26,459 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,459 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-05 12:33:26,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,460 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,460 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,460 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-05 12:33:26,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-05 12:33:26,460 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-05 12:33:26,471 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,471 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,471 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-05 12:33:26,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-05 12:33:26,471 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,471 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-05 12:33:26,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,473 - INFO - number of orbitals:  135
-2024-12-05 12:33:26,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,473 - INFO - moving on ...
-2024-12-05 12:33:26,473 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-05 12:33:26,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,474 - INFO - number of orbitals:  88
-2024-12-05 12:33:26,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-05 12:33:26,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,474 - INFO - moving on ...
-2024-12-05 12:33:26,474 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-05 12:33:26,474 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-05 12:33:26,474 - INFO - problem_instance short name: Sc_1
-2024-12-05 12:33:26,474 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,474 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-05 12:33:26,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,476 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,476 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,476 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-05 12:33:26,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-05 12:33:26,476 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-05 12:33:26,486 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,486 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,486 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-05 12:33:26,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-05 12:33:26,487 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,487 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-05 12:33:26,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,488 - INFO - number of orbitals:  135
-2024-12-05 12:33:26,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 12:33:26,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,488 - INFO - moving on ...
-2024-12-05 12:33:26,488 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-05 12:33:26,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,489 - INFO - number of orbitals:  88
-2024-12-05 12:33:26,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 12:33:26,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,489 - INFO - moving on ...
-2024-12-05 12:33:26,489 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-05 12:33:26,490 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-05 12:33:26,490 - INFO - problem_instance short name: Mn_0
-2024-12-05 12:33:26,490 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,490 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-05 12:33:26,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,491 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,491 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,491 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-05 12:33:26,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-05 12:33:26,491 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-05 12:33:26,501 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,502 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,502 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-05 12:33:26,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-05 12:33:26,502 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,502 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-05 12:33:26,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,503 - INFO - number of orbitals:  88
-2024-12-05 12:33:26,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 12:33:26,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,503 - INFO - moving on ...
-2024-12-05 12:33:26,504 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-05 12:33:26,504 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-05 12:33:26,504 - INFO - problem_instance short name: h_c_n_0
-2024-12-05 12:33:26,504 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,504 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-05 12:33:26,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,505 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,505 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,505 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-05 12:33:26,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-05 12:33:26,505 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-05 12:33:26,515 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,515 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,516 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-05 12:33:26,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-05 12:33:26,516 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,516 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-05 12:33:26,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,517 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,517 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,517 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-05 12:33:26,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-05 12:33:26,517 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-05 12:33:26,527 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,528 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,528 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-05 12:33:26,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-05 12:33:26,528 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,528 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-05 12:33:26,528 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-05 12:33:26,528 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-05 12:33:26,528 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,528 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-05 12:33:26,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,529 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,529 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,529 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-05 12:33:26,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-05 12:33:26,530 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-05 12:33:26,539 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,540 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,540 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-05 12:33:26,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-05 12:33:26,540 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,540 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-05 12:33:26,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,541 - INFO - number of orbitals:  115
-2024-12-05 12:33:26,541 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 12:33:26,541 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,541 - INFO - moving on ...
-2024-12-05 12:33:26,541 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-05 12:33:26,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,542 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,542 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,542 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-05 12:33:26,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-05 12:33:26,542 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-05 12:33:26,552 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,553 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,553 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-05 12:33:26,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-05 12:33:26,553 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,553 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-05 12:33:26,553 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-05 12:33:26,553 - INFO - problem_instance short name: planted_solution_0001
-2024-12-05 12:33:26,553 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,553 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-05 12:33:26,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,555 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,555 - INFO - number of supporting files: 1
-2024-12-05 12:33:26,555 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-05 12:33:26,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-05 12:33:26,555 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-05 12:33:26,566 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,567 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,567 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-05 12:33:26,567 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-05 12:33:26,567 - INFO - problem_instance short name: si_o_0
-2024-12-05 12:33:26,567 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,567 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-05 12:33:26,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,569 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,569 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,569 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-05 12:33:26,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-05 12:33:26,569 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-05 12:33:26,580 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,580 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,580 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-05 12:33:26,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-05 12:33:26,580 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,580 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-05 12:33:26,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,582 - INFO - number of orbitals:  114
-2024-12-05 12:33:26,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 12:33:26,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 12:33:26,582 - INFO - moving on ...
-2024-12-05 12:33:26,582 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-05 12:33:26,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,583 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,583 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,583 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-05 12:33:26,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-05 12:33:26,583 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-05 12:33:26,593 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,593 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,593 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-05 12:33:26,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-05 12:33:26,593 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,593 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-05 12:33:26,594 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-05 12:33:26,594 - INFO - problem_instance short name: h_o_cl_0
-2024-12-05 12:33:26,594 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 12:33:26,594 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-05 12:33:26,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,595 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,595 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,595 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-05 12:33:26,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-05 12:33:26,595 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-05 12:33:26,605 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,605 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-05 12:33:26,605 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-05 12:33:26,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-05 12:33:26,606 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 12:33:26,606 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-05 12:33:26,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 12:33:26,607 - INFO - attempting to process the Hamiltonian...
-2024-12-05 12:33:26,607 - INFO - number of supporting files: 2
-2024-12-05 12:33:26,607 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-05 12:33:26,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-05 12:33:26,607 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-05 12:33:26,617 - INFO - number of entries in Hamiltonian_features.csv:  169
-2024-12-05 12:33:26,617 - INFO - did NOT find instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d in database.
-2024-12-05 12:33:26,617 - INFO - Processing instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d ...
-2024-12-05 12:33:26,617 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz...
-2024-12-05 12:33:26,632 - INFO - Connected (version 2.0, client 0)
-2024-12-05 12:33:27,208 - INFO - Authentication (publickey) successful!
-2024-12-05 12:33:27,235 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 12:33:41,597 - INFO - [chan 0] sftp session closed.
-2024-12-05 12:33:41,597 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 12:33:41,597 - INFO - decompressing file fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz...
-2024-12-05 12:33:43,162 - INFO - this script has been running for 26.45 hours.
-2024-12-05 12:33:43,163 - INFO - ===============================================
-2024-12-05 12:33:43,163 - INFO - calculating Hamiltonian features...
-2024-12-05 12:33:43,163 - INFO - reading data from fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d
-2024-12-05 12:33:56,546 - INFO - finished reading FCIDUMP data.
-2024-12-05 12:33:56,546 - INFO - data['NORB']: 78
-2024-12-05 12:33:56,546 - INFO - len(data['H1']): 78
-2024-12-05 12:33:56,546 - INFO - ao2mo.restore...
-2024-12-05 12:33:56,605 - INFO - done.
-2024-12-05 12:33:56,605 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 12:33:56,605 - INFO - done.
-2024-12-05 12:33:56,605 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 14:07:05,854 - INFO - done.
-2024-12-05 14:07:05,854 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 14:14:46,363 - INFO - done.
-2024-12-05 14:14:46,364 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 14:15:43,560 - INFO - done.
-2024-12-05 14:15:43,561 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 14:15:52,543 - INFO - done.
-2024-12-05 14:15:52,543 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 14:15:52,543 - INFO - done.
-2024-12-05 14:15:52,544 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 14:15:52,544 - INFO - done.
-2024-12-05 14:15:56,867 - INFO - Hamiltonian features calculation run time (seconds): 6133.703953
-2024-12-05 14:15:56,867 - INFO - wrote df_eigs to file: df_eigs.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.bin
-2024-12-05 14:15:56,867 - INFO - deleting file fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-05 14:15:56,904 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 14:15:56,911 - INFO - this script has been running for 28.16 hours.
-2024-12-05 14:15:56,911 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-05 14:15:56,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-05 14:15:56,911 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 14:15:56,911 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-05 14:15:56,912 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-05 14:15:56,912 - INFO - problem_instance short name: Sc_0
-2024-12-05 14:15:56,912 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 14:15:56,912 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-05 14:15:56,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 14:15:56,913 - INFO - attempting to process the Hamiltonian...
-2024-12-05 14:15:56,913 - INFO - number of supporting files: 2
-2024-12-05 14:15:56,913 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-05 14:15:56,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-05 14:15:56,914 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-05 14:15:56,924 - INFO - number of entries in Hamiltonian_features.csv:  170
-2024-12-05 14:15:56,925 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-05 14:15:56,925 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-05 14:15:56,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-05 14:15:56,925 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 14:15:56,925 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-05 14:15:56,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 14:15:56,926 - INFO - number of orbitals:  135
-2024-12-05 14:15:56,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 14:15:56,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 14:15:56,927 - INFO - moving on ...
-2024-12-05 14:15:56,927 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-05 14:15:56,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 14:15:56,928 - INFO - number of orbitals:  88
-2024-12-05 14:15:56,928 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 14:15:56,928 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 14:15:56,928 - INFO - moving on ...
-2024-12-05 14:15:56,928 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-05 14:15:56,928 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-05 14:15:56,928 - INFO - problem_instance short name: O_0
-2024-12-05 14:15:56,928 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 14:15:56,928 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-05 14:15:56,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 14:15:56,930 - INFO - attempting to process the Hamiltonian...
-2024-12-05 14:15:56,930 - INFO - number of supporting files: 2
-2024-12-05 14:15:56,930 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-05 14:15:56,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-05 14:15:56,930 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-05 14:15:56,940 - INFO - number of entries in Hamiltonian_features.csv:  170
-2024-12-05 14:15:56,941 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-05 14:15:56,941 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-05 14:15:56,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-05 14:15:56,941 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 14:15:56,941 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-05 14:15:56,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 14:15:56,942 - INFO - attempting to process the Hamiltonian...
-2024-12-05 14:15:56,942 - INFO - number of supporting files: 2
-2024-12-05 14:15:56,942 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-05 14:15:56,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-05 14:15:56,943 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-05 14:15:56,953 - INFO - number of entries in Hamiltonian_features.csv:  170
-2024-12-05 14:15:56,954 - INFO - did NOT find instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d in database.
-2024-12-05 14:15:56,954 - INFO - Processing instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d ...
-2024-12-05 14:15:56,954 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz...
-2024-12-05 14:15:56,960 - INFO - Connected (version 2.0, client 0)
-2024-12-05 14:15:57,508 - INFO - Authentication (publickey) successful!
-2024-12-05 14:15:57,526 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 14:16:01,150 - INFO - [chan 0] sftp session closed.
-2024-12-05 14:16:01,150 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 14:16:01,150 - INFO - decompressing file fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz...
-2024-12-05 14:16:01,945 - INFO - this script has been running for 28.16 hours.
-2024-12-05 14:16:01,945 - INFO - ===============================================
-2024-12-05 14:16:01,945 - INFO - calculating Hamiltonian features...
-2024-12-05 14:16:01,945 - INFO - reading data from fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d
-2024-12-05 14:16:08,660 - INFO - finished reading FCIDUMP data.
-2024-12-05 14:16:08,660 - INFO - data['NORB']: 79
-2024-12-05 14:16:08,660 - INFO - len(data['H1']): 79
-2024-12-05 14:16:08,660 - INFO - ao2mo.restore...
-2024-12-05 14:16:08,718 - INFO - done.
-2024-12-05 14:16:08,718 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 14:16:08,718 - INFO - done.
-2024-12-05 14:16:08,718 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 15:01:19,611 - INFO - done.
-2024-12-05 15:01:19,611 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 15:04:36,159 - INFO - done.
-2024-12-05 15:04:36,160 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 15:04:55,823 - INFO - done.
-2024-12-05 15:04:55,823 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 15:05:06,613 - INFO - done.
-2024-12-05 15:05:06,613 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 15:05:06,613 - INFO - done.
-2024-12-05 15:05:06,613 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 15:05:06,614 - INFO - done.
-2024-12-05 15:05:08,655 - INFO - Hamiltonian features calculation run time (seconds): 2946.710384
-2024-12-05 15:05:08,656 - INFO - wrote df_eigs to file: df_eigs.31ade416-8bd1-4671-953c-c62f281cd96d.bin
-2024-12-05 15:05:08,656 - INFO - deleting file fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-05 15:05:08,674 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 15:05:08,681 - INFO - this script has been running for 28.98 hours.
-2024-12-05 15:05:08,681 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-05 15:05:08,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-05 15:05:08,682 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 15:05:08,682 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-05 15:05:08,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 15:05:08,683 - INFO - attempting to process the Hamiltonian...
-2024-12-05 15:05:08,683 - INFO - number of supporting files: 2
-2024-12-05 15:05:08,683 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-05 15:05:08,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-05 15:05:08,683 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-05 15:05:08,694 - INFO - number of entries in Hamiltonian_features.csv:  171
-2024-12-05 15:05:08,695 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-05 15:05:08,695 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-05 15:05:08,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-05 15:05:08,695 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 15:05:08,695 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-05 15:05:08,695 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-05 15:05:08,695 - INFO - problem_instance short name: planted_solution_0009
-2024-12-05 15:05:08,695 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 15:05:08,695 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-05 15:05:08,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 15:05:08,696 - INFO - attempting to process the Hamiltonian...
-2024-12-05 15:05:08,696 - INFO - number of supporting files: 1
-2024-12-05 15:05:08,697 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-05 15:05:08,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-05 15:05:08,697 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-05 15:05:08,707 - INFO - number of entries in Hamiltonian_features.csv:  171
-2024-12-05 15:05:08,708 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-05 15:05:08,708 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-05 15:05:08,708 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-05 15:05:08,708 - INFO - problem_instance short name: h2_s_0
-2024-12-05 15:05:08,708 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 15:05:08,708 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-05 15:05:08,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 15:05:08,709 - INFO - attempting to process the Hamiltonian...
-2024-12-05 15:05:08,709 - INFO - number of supporting files: 2
-2024-12-05 15:05:08,710 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-05 15:05:08,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-05 15:05:08,710 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-05 15:05:08,720 - INFO - number of entries in Hamiltonian_features.csv:  171
-2024-12-05 15:05:08,721 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-05 15:05:08,721 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-05 15:05:08,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-05 15:05:08,721 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 15:05:08,721 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-05 15:05:08,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 15:05:08,722 - INFO - number of orbitals:  119
-2024-12-05 15:05:08,722 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 15:05:08,722 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 15:05:08,722 - INFO - moving on ...
-2024-12-05 15:05:08,722 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-05 15:05:08,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 15:05:08,724 - INFO - attempting to process the Hamiltonian...
-2024-12-05 15:05:08,724 - INFO - number of supporting files: 2
-2024-12-05 15:05:08,724 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-05 15:05:08,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-05 15:05:08,724 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-05 15:05:08,734 - INFO - number of entries in Hamiltonian_features.csv:  171
-2024-12-05 15:05:08,735 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-05 15:05:08,735 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-05 15:05:08,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-05 15:05:08,735 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 15:05:08,735 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-05 15:05:08,735 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-05 15:05:08,735 - INFO - problem_instance short name: planted_solution_0004
-2024-12-05 15:05:08,735 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 15:05:08,735 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-05 15:05:08,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 15:05:08,737 - INFO - attempting to process the Hamiltonian...
-2024-12-05 15:05:08,737 - INFO - number of supporting files: 1
-2024-12-05 15:05:08,737 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-05 15:05:08,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-05 15:05:08,737 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-05 15:05:08,747 - INFO - number of entries in Hamiltonian_features.csv:  171
-2024-12-05 15:05:08,748 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-05 15:05:08,748 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-05 15:05:08,748 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-05 15:05:08,748 - INFO - problem_instance short name: Fe_1
-2024-12-05 15:05:08,748 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 15:05:08,748 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-05 15:05:08,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 15:05:08,749 - INFO - attempting to process the Hamiltonian...
-2024-12-05 15:05:08,750 - INFO - number of supporting files: 2
-2024-12-05 15:05:08,750 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-05 15:05:08,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-05 15:05:08,750 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-05 15:05:08,760 - INFO - number of entries in Hamiltonian_features.csv:  171
-2024-12-05 15:05:08,761 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-05 15:05:08,761 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-05 15:05:08,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-05 15:05:08,761 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 15:05:08,761 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-05 15:05:08,762 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 15:05:08,762 - INFO - number of orbitals:  88
-2024-12-05 15:05:08,763 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 15:05:08,763 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 15:05:08,763 - INFO - moving on ...
-2024-12-05 15:05:08,763 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-05 15:05:08,763 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-05 15:05:08,763 - INFO - problem_instance short name: VO_0
-2024-12-05 15:05:08,763 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 15:05:08,763 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-05 15:05:08,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 15:05:08,764 - INFO - attempting to process the Hamiltonian...
-2024-12-05 15:05:08,764 - INFO - number of supporting files: 2
-2024-12-05 15:05:08,764 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-05 15:05:08,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-05 15:05:08,764 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-05 15:05:08,775 - INFO - number of entries in Hamiltonian_features.csv:  171
-2024-12-05 15:05:08,775 - INFO - did NOT find instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 in database.
-2024-12-05 15:05:08,775 - INFO - Processing instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 ...
-2024-12-05 15:05:08,775 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz...
-2024-12-05 15:05:08,780 - INFO - Connected (version 2.0, client 0)
-2024-12-05 15:05:09,324 - INFO - Authentication (publickey) successful!
-2024-12-05 15:05:09,339 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 15:05:44,043 - INFO - [chan 0] sftp session closed.
-2024-12-05 15:05:44,043 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 15:05:44,043 - INFO - decompressing file fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz...
-2024-12-05 15:05:46,362 - INFO - this script has been running for 28.99 hours.
-2024-12-05 15:05:46,363 - INFO - ===============================================
-2024-12-05 15:05:46,363 - INFO - calculating Hamiltonian features...
-2024-12-05 15:05:46,363 - INFO - reading data from fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0
-2024-12-05 15:06:06,340 - INFO - finished reading FCIDUMP data.
-2024-12-05 15:06:06,340 - INFO - data['NORB']: 76
-2024-12-05 15:06:06,340 - INFO - len(data['H1']): 76
-2024-12-05 15:06:06,340 - INFO - ao2mo.restore...
-2024-12-05 15:06:06,391 - INFO - done.
-2024-12-05 15:06:06,391 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 15:06:06,391 - INFO - done.
-2024-12-05 15:06:06,391 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 17:12:48,364 - INFO - done.
-2024-12-05 17:12:48,364 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 17:18:46,474 - INFO - done.
-2024-12-05 17:18:46,474 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 17:19:29,960 - INFO - done.
-2024-12-05 17:19:29,960 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 17:19:38,282 - INFO - done.
-2024-12-05 17:19:38,282 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 17:19:38,282 - INFO - done.
-2024-12-05 17:19:38,282 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 17:19:38,282 - INFO - done.
-2024-12-05 17:19:41,951 - INFO - Hamiltonian features calculation run time (seconds): 8035.588136
-2024-12-05 17:19:41,951 - INFO - wrote df_eigs to file: df_eigs.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.bin
-2024-12-05 17:19:41,951 - INFO - deleting file fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-05 17:19:42,004 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 17:19:42,012 - INFO - this script has been running for 31.22 hours.
-2024-12-05 17:19:42,012 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-05 17:19:42,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-05 17:19:42,012 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 17:19:42,012 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-05 17:19:42,013 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-05 17:19:42,013 - INFO - problem_instance short name: mo2_n2
-2024-12-05 17:19:42,013 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 17:19:42,013 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-05 17:19:42,013 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 17:19:42,013 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 17:19:42,013 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 17:19:42,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,015 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,015 - INFO - number of supporting files: 1
-2024-12-05 17:19:42,015 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-05 17:19:42,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-05 17:19:42,015 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-05 17:19:42,026 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,026 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,026 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-05 17:19:42,026 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 17:19:42,027 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 17:19:42,027 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 17:19:42,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,028 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,029 - INFO - number of supporting files: 1
-2024-12-05 17:19:42,029 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-05 17:19:42,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-05 17:19:42,029 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-05 17:19:42,039 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,040 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,040 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-05 17:19:42,040 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 17:19:42,040 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 17:19:42,040 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 17:19:42,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,042 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,042 - INFO - number of supporting files: 1
-2024-12-05 17:19:42,042 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-05 17:19:42,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-05 17:19:42,042 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-05 17:19:42,052 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,053 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,053 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-05 17:19:42,053 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-05 17:19:42,053 - INFO - problem_instance short name: c_o_0
-2024-12-05 17:19:42,053 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 17:19:42,053 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-05 17:19:42,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,054 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,054 - INFO - number of supporting files: 2
-2024-12-05 17:19:42,055 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-05 17:19:42,055 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-05 17:19:42,055 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-05 17:19:42,065 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,065 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,065 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-05 17:19:42,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-05 17:19:42,066 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 17:19:42,066 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-05 17:19:42,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,067 - INFO - number of orbitals:  110
-2024-12-05 17:19:42,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 17:19:42,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 17:19:42,067 - INFO - moving on ...
-2024-12-05 17:19:42,067 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-05 17:19:42,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,069 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,069 - INFO - number of supporting files: 2
-2024-12-05 17:19:42,069 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-05 17:19:42,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-05 17:19:42,069 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-05 17:19:42,079 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,080 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,080 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-05 17:19:42,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-05 17:19:42,080 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 17:19:42,080 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-05 17:19:42,080 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-05 17:19:42,080 - INFO - problem_instance short name: V_1
-2024-12-05 17:19:42,080 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 17:19:42,080 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-05 17:19:42,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,082 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,082 - INFO - number of supporting files: 2
-2024-12-05 17:19:42,082 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-05 17:19:42,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-05 17:19:42,082 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-05 17:19:42,093 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,093 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,093 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-05 17:19:42,093 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-05 17:19:42,093 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 17:19:42,093 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-05 17:19:42,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,095 - INFO - number of orbitals:  88
-2024-12-05 17:19:42,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 17:19:42,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 17:19:42,095 - INFO - moving on ...
-2024-12-05 17:19:42,095 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-05 17:19:42,095 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-05 17:19:42,095 - INFO - problem_instance short name: Ti_0
-2024-12-05 17:19:42,095 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 17:19:42,095 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-05 17:19:42,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,096 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,096 - INFO - number of supporting files: 2
-2024-12-05 17:19:42,097 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-05 17:19:42,097 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-05 17:19:42,097 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-05 17:19:42,108 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,108 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,108 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-05 17:19:42,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-05 17:19:42,108 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 17:19:42,108 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-05 17:19:42,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,110 - INFO - number of orbitals:  88
-2024-12-05 17:19:42,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 17:19:42,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 17:19:42,110 - INFO - moving on ...
-2024-12-05 17:19:42,110 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-05 17:19:42,110 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-05 17:19:42,110 - INFO - problem_instance short name: be_0
-2024-12-05 17:19:42,110 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 17:19:42,110 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-05 17:19:42,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,111 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,111 - INFO - number of supporting files: 2
-2024-12-05 17:19:42,111 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-05 17:19:42,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-05 17:19:42,111 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-05 17:19:42,122 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,122 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,122 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-05 17:19:42,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-05 17:19:42,122 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 17:19:42,122 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-05 17:19:42,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,124 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,124 - INFO - number of supporting files: 2
-2024-12-05 17:19:42,124 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-05 17:19:42,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-05 17:19:42,124 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-05 17:19:42,134 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,135 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,135 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-05 17:19:42,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-05 17:19:42,135 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 17:19:42,135 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-05 17:19:42,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,136 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,136 - INFO - number of supporting files: 2
-2024-12-05 17:19:42,136 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-05 17:19:42,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-05 17:19:42,137 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-05 17:19:42,147 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,147 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,147 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-05 17:19:42,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-05 17:19:42,147 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 17:19:42,147 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-05 17:19:42,148 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-05 17:19:42,148 - INFO - problem_instance short name: O_1
-2024-12-05 17:19:42,148 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 17:19:42,148 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-05 17:19:42,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,149 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,149 - INFO - number of supporting files: 2
-2024-12-05 17:19:42,149 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-05 17:19:42,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-05 17:19:42,149 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-05 17:19:42,160 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,160 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-05 17:19:42,160 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-05 17:19:42,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-05 17:19:42,160 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 17:19:42,160 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-05 17:19:42,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 17:19:42,162 - INFO - attempting to process the Hamiltonian...
-2024-12-05 17:19:42,162 - INFO - number of supporting files: 2
-2024-12-05 17:19:42,162 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-05 17:19:42,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-05 17:19:42,162 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-05 17:19:42,172 - INFO - number of entries in Hamiltonian_features.csv:  172
-2024-12-05 17:19:42,173 - INFO - did NOT find instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 in database.
-2024-12-05 17:19:42,173 - INFO - Processing instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 ...
-2024-12-05 17:19:42,173 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz...
-2024-12-05 17:19:42,180 - INFO - Connected (version 2.0, client 0)
-2024-12-05 17:19:42,716 - INFO - Authentication (publickey) successful!
-2024-12-05 17:19:42,730 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 17:20:00,394 - INFO - [chan 0] sftp session closed.
-2024-12-05 17:20:00,394 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 17:20:00,395 - INFO - decompressing file fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz...
-2024-12-05 17:20:01,831 - INFO - this script has been running for 31.23 hours.
-2024-12-05 17:20:01,831 - INFO - ===============================================
-2024-12-05 17:20:01,831 - INFO - calculating Hamiltonian features...
-2024-12-05 17:20:01,831 - INFO - reading data from fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981
-2024-12-05 17:20:13,169 - INFO - finished reading FCIDUMP data.
-2024-12-05 17:20:13,169 - INFO - data['NORB']: 79
-2024-12-05 17:20:13,169 - INFO - len(data['H1']): 79
-2024-12-05 17:20:13,169 - INFO - ao2mo.restore...
-2024-12-05 17:20:13,227 - INFO - done.
-2024-12-05 17:20:13,227 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 17:20:13,227 - INFO - done.
-2024-12-05 17:20:13,227 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 18:40:02,680 - INFO - done.
-2024-12-05 18:40:02,681 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 18:47:58,496 - INFO - done.
-2024-12-05 18:47:58,496 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 18:48:52,011 - INFO - done.
-2024-12-05 18:48:52,011 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 18:49:01,339 - INFO - done.
-2024-12-05 18:49:01,339 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 18:49:01,340 - INFO - done.
-2024-12-05 18:49:01,340 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 18:49:01,340 - INFO - done.
-2024-12-05 18:49:05,888 - INFO - Hamiltonian features calculation run time (seconds): 5344.056745
-2024-12-05 18:49:05,888 - INFO - wrote df_eigs to file: df_eigs.3b587c2c-9579-4c7b-8b3f-e00c69c42981.bin
-2024-12-05 18:49:05,888 - INFO - deleting file fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-05 18:49:05,918 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 18:49:05,924 - INFO - this script has been running for 32.71 hours.
-2024-12-05 18:49:05,924 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-05 18:49:05,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-05 18:49:05,924 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 18:49:05,924 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-05 18:49:05,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 18:49:05,926 - INFO - attempting to process the Hamiltonian...
-2024-12-05 18:49:05,926 - INFO - number of supporting files: 2
-2024-12-05 18:49:05,926 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-05 18:49:05,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-05 18:49:05,926 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-05 18:49:05,936 - INFO - number of entries in Hamiltonian_features.csv:  173
-2024-12-05 18:49:05,937 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-05 18:49:05,937 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-05 18:49:05,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-05 18:49:05,937 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 18:49:05,937 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-05 18:49:05,937 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-05 18:49:05,937 - INFO - problem_instance short name: p_h3_0
-2024-12-05 18:49:05,937 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 18:49:05,937 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-05 18:49:05,938 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 18:49:05,939 - INFO - attempting to process the Hamiltonian...
-2024-12-05 18:49:05,939 - INFO - number of supporting files: 2
-2024-12-05 18:49:05,939 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-05 18:49:05,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-05 18:49:05,939 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-05 18:49:05,949 - INFO - number of entries in Hamiltonian_features.csv:  173
-2024-12-05 18:49:05,949 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-05 18:49:05,949 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-05 18:49:05,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-05 18:49:05,950 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 18:49:05,950 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-05 18:49:05,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 18:49:05,951 - INFO - attempting to process the Hamiltonian...
-2024-12-05 18:49:05,951 - INFO - number of supporting files: 2
-2024-12-05 18:49:05,951 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-05 18:49:05,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-05 18:49:05,951 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-05 18:49:05,961 - INFO - number of entries in Hamiltonian_features.csv:  173
-2024-12-05 18:49:05,961 - INFO - did NOT find instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 in database.
-2024-12-05 18:49:05,962 - INFO - Processing instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 ...
-2024-12-05 18:49:05,962 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz...
-2024-12-05 18:49:05,966 - INFO - Connected (version 2.0, client 0)
-2024-12-05 18:49:06,474 - INFO - Authentication (publickey) successful!
-2024-12-05 18:49:06,493 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 18:49:31,280 - INFO - [chan 0] sftp session closed.
-2024-12-05 18:49:31,280 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 18:49:31,280 - INFO - decompressing file fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz...
-2024-12-05 18:49:33,394 - INFO - this script has been running for 32.72 hours.
-2024-12-05 18:49:33,394 - INFO - ===============================================
-2024-12-05 18:49:33,394 - INFO - calculating Hamiltonian features...
-2024-12-05 18:49:33,394 - INFO - reading data from fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761
-2024-12-05 18:49:51,278 - INFO - finished reading FCIDUMP data.
-2024-12-05 18:49:51,278 - INFO - data['NORB']: 76
-2024-12-05 18:49:51,278 - INFO - len(data['H1']): 76
-2024-12-05 18:49:51,278 - INFO - ao2mo.restore...
-2024-12-05 18:49:51,326 - INFO - done.
-2024-12-05 18:49:51,326 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 18:49:51,326 - INFO - done.
-2024-12-05 18:49:51,326 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 20:54:56,555 - INFO - done.
-2024-12-05 20:54:56,555 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 21:04:59,944 - INFO - done.
-2024-12-05 21:04:59,944 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 21:06:13,496 - INFO - done.
-2024-12-05 21:06:13,496 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 21:06:21,763 - INFO - done.
-2024-12-05 21:06:21,763 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 21:06:21,763 - INFO - done.
-2024-12-05 21:06:21,763 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 21:06:21,763 - INFO - done.
-2024-12-05 21:06:27,545 - INFO - Hamiltonian features calculation run time (seconds): 8214.151715
-2024-12-05 21:06:27,546 - INFO - wrote df_eigs to file: df_eigs.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.bin
-2024-12-05 21:06:27,546 - INFO - deleting file fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-05 21:06:27,594 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 21:06:27,601 - INFO - this script has been running for 35.00 hours.
-2024-12-05 21:06:27,601 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-05 21:06:27,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-05 21:06:27,601 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,601 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-05 21:06:27,601 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-05 21:06:27,601 - INFO - problem_instance short name: Fe_0
-2024-12-05 21:06:27,601 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 21:06:27,601 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-05 21:06:27,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,603 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,603 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,603 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-05 21:06:27,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-05 21:06:27,603 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-05 21:06:27,614 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,615 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,615 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-05 21:06:27,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-05 21:06:27,615 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,615 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-05 21:06:27,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,616 - INFO - number of orbitals:  88
-2024-12-05 21:06:27,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 21:06:27,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 21:06:27,616 - INFO - moving on ...
-2024-12-05 21:06:27,616 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-05 21:06:27,617 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-05 21:06:27,617 - INFO - problem_instance short name: blue_dimer
-2024-12-05 21:06:27,617 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-05 21:06:27,617 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-05 21:06:27,617 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,618 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,618 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,619 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-05 21:06:27,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-05 21:06:27,619 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-05 21:06:27,628 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,629 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,629 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-05 21:06:27,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,631 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,631 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,631 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-05 21:06:27,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-05 21:06:27,631 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-05 21:06:27,641 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,641 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,641 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-05 21:06:27,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,643 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,643 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,643 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-05 21:06:27,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-05 21:06:27,643 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-05 21:06:27,654 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,654 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,654 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-05 21:06:27,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,656 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,656 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,656 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-05 21:06:27,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-05 21:06:27,656 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-05 21:06:27,667 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,667 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,667 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-05 21:06:27,667 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,667 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,667 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,669 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,669 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,669 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-05 21:06:27,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-05 21:06:27,669 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-05 21:06:27,679 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,679 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,679 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-05 21:06:27,679 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,681 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,681 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,681 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-05 21:06:27,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-05 21:06:27,681 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-05 21:06:27,691 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,691 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,691 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-05 21:06:27,692 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,692 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,692 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,693 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,693 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,693 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-05 21:06:27,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-05 21:06:27,694 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-05 21:06:27,703 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,704 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,704 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-05 21:06:27,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,704 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,704 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,706 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,706 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,706 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-05 21:06:27,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-05 21:06:27,706 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-05 21:06:27,716 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,716 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,716 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-05 21:06:27,717 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,717 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,717 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,718 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,718 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,718 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-05 21:06:27,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-05 21:06:27,719 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-05 21:06:27,729 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,729 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,729 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-05 21:06:27,729 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,729 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,729 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,731 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,731 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,731 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-05 21:06:27,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-05 21:06:27,731 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-05 21:06:27,742 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,742 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,742 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-05 21:06:27,742 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,743 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,743 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,744 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,744 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,745 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-05 21:06:27,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-05 21:06:27,745 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-05 21:06:27,755 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,756 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,756 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-05 21:06:27,756 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,756 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,756 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,758 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,758 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,758 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-05 21:06:27,758 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-05 21:06:27,758 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-05 21:06:27,768 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,769 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,769 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-05 21:06:27,769 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-05 21:06:27,769 - INFO - problem_instance short name: V_0
-2024-12-05 21:06:27,769 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 21:06:27,769 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-05 21:06:27,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,771 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,771 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,771 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-05 21:06:27,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-05 21:06:27,771 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-05 21:06:27,782 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,782 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,782 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-05 21:06:27,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-05 21:06:27,782 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,782 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-05 21:06:27,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,784 - INFO - number of orbitals:  88
-2024-12-05 21:06:27,784 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 21:06:27,784 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 21:06:27,784 - INFO - moving on ...
-2024-12-05 21:06:27,784 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-05 21:06:27,784 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-05 21:06:27,784 - INFO - problem_instance short name: n_h3_0
-2024-12-05 21:06:27,784 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 21:06:27,784 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-05 21:06:27,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,785 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,785 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,785 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-05 21:06:27,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-05 21:06:27,785 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-05 21:06:27,797 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,797 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,797 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-05 21:06:27,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-05 21:06:27,797 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,797 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-05 21:06:27,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,798 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,799 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,799 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-05 21:06:27,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-05 21:06:27,799 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-05 21:06:27,810 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,810 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,810 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-05 21:06:27,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-05 21:06:27,810 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,810 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-05 21:06:27,810 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-05 21:06:27,810 - INFO - problem_instance short name: p2_0
-2024-12-05 21:06:27,810 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 21:06:27,810 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-05 21:06:27,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,812 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,812 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,812 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-05 21:06:27,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-05 21:06:27,812 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-05 21:06:27,822 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,822 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,823 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-05 21:06:27,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-05 21:06:27,823 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,823 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-05 21:06:27,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,824 - INFO - number of orbitals:  118
-2024-12-05 21:06:27,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 21:06:27,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 21:06:27,824 - INFO - moving on ...
-2024-12-05 21:06:27,824 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-05 21:06:27,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,826 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,826 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,826 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-05 21:06:27,826 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-05 21:06:27,826 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-05 21:06:27,837 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,837 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,837 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-05 21:06:27,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-05 21:06:27,837 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,837 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-05 21:06:27,837 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-05 21:06:27,837 - INFO - problem_instance short name: mn_mono
-2024-12-05 21:06:27,838 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-05 21:06:27,838 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-05 21:06:27,838 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,838 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,838 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,839 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,840 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,840 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-05 21:06:27,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-05 21:06:27,840 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-05 21:06:27,850 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,851 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,851 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-05 21:06:27,851 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,853 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,853 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,853 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-05 21:06:27,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-05 21:06:27,853 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-05 21:06:27,864 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,864 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,864 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-05 21:06:27,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,866 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,866 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,866 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-05 21:06:27,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-05 21:06:27,866 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-05 21:06:27,877 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,877 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,877 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-05 21:06:27,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,878 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,878 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,879 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,879 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,879 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-05 21:06:27,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-05 21:06:27,880 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-05 21:06:27,890 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,890 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,890 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-05 21:06:27,890 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,892 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,892 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,892 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-05 21:06:27,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-05 21:06:27,893 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-05 21:06:27,904 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,904 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,904 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-05 21:06:27,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,906 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,906 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,906 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-05 21:06:27,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-05 21:06:27,907 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-05 21:06:27,917 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,918 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,918 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-05 21:06:27,918 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,918 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,918 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,920 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,920 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,920 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-05 21:06:27,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-05 21:06:27,920 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-05 21:06:27,930 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,931 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,931 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-05 21:06:27,931 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 21:06:27,931 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 21:06:27,931 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 21:06:27,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,933 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,933 - INFO - number of supporting files: 1
-2024-12-05 21:06:27,933 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-05 21:06:27,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-05 21:06:27,933 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-05 21:06:27,944 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,944 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,944 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-05 21:06:27,945 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-05 21:06:27,945 - INFO - problem_instance short name: li2_0
-2024-12-05 21:06:27,945 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 21:06:27,945 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-05 21:06:27,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,946 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,946 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,946 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-05 21:06:27,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-05 21:06:27,946 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-05 21:06:27,957 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,958 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,958 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-05 21:06:27,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-05 21:06:27,958 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,958 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-05 21:06:27,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,959 - INFO - number of orbitals:  110
-2024-12-05 21:06:27,959 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 21:06:27,959 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 21:06:27,959 - INFO - moving on ...
-2024-12-05 21:06:27,959 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-05 21:06:27,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,961 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,961 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,961 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-05 21:06:27,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-05 21:06:27,961 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-05 21:06:27,972 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,972 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,972 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-05 21:06:27,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-05 21:06:27,973 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,973 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-05 21:06:27,973 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-05 21:06:27,973 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-05 21:06:27,973 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 21:06:27,973 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-05 21:06:27,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,974 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,974 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,974 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-05 21:06:27,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-05 21:06:27,974 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-05 21:06:27,986 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:27,986 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-05 21:06:27,986 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-05 21:06:27,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-05 21:06:27,986 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 21:06:27,986 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-05 21:06:27,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,988 - INFO - number of orbitals:  106
-2024-12-05 21:06:27,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 21:06:27,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 21:06:27,988 - INFO - moving on ...
-2024-12-05 21:06:27,988 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-05 21:06:27,988 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-05 21:06:27,988 - INFO - problem_instance short name: ScO_0
-2024-12-05 21:06:27,988 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-05 21:06:27,988 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-05 21:06:27,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 21:06:27,989 - INFO - attempting to process the Hamiltonian...
-2024-12-05 21:06:27,989 - INFO - number of supporting files: 2
-2024-12-05 21:06:27,989 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-05 21:06:27,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-05 21:06:27,989 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-05 21:06:28,000 - INFO - number of entries in Hamiltonian_features.csv:  174
-2024-12-05 21:06:28,000 - INFO - did NOT find instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 in database.
-2024-12-05 21:06:28,001 - INFO - Processing instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 ...
-2024-12-05 21:06:28,001 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz...
-2024-12-05 21:06:28,005 - INFO - Connected (version 2.0, client 0)
-2024-12-05 21:06:28,832 - INFO - Authentication (publickey) successful!
-2024-12-05 21:06:28,852 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 21:06:34,966 - INFO - [chan 0] sftp session closed.
-2024-12-05 21:06:34,966 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 21:06:34,966 - INFO - decompressing file fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz...
-2024-12-05 21:06:35,931 - INFO - this script has been running for 35.00 hours.
-2024-12-05 21:06:35,931 - INFO - ===============================================
-2024-12-05 21:06:35,931 - INFO - calculating Hamiltonian features...
-2024-12-05 21:06:35,931 - INFO - reading data from fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2
-2024-12-05 21:06:44,136 - INFO - finished reading FCIDUMP data.
-2024-12-05 21:06:44,136 - INFO - data['NORB']: 76
-2024-12-05 21:06:44,136 - INFO - len(data['H1']): 76
-2024-12-05 21:06:44,136 - INFO - ao2mo.restore...
-2024-12-05 21:06:44,187 - INFO - done.
-2024-12-05 21:06:44,187 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 21:06:44,187 - INFO - done.
-2024-12-05 21:06:44,187 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-05 22:07:10,202 - INFO - done.
-2024-12-05 22:07:10,202 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-05 22:13:04,576 - INFO - done.
-2024-12-05 22:13:04,576 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-05 22:13:42,395 - INFO - done.
-2024-12-05 22:13:42,395 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-05 22:13:49,581 - INFO - done.
-2024-12-05 22:13:49,581 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-05 22:13:49,582 - INFO - done.
-2024-12-05 22:13:49,582 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-05 22:13:49,582 - INFO - done.
-2024-12-05 22:13:52,903 - INFO - Hamiltonian features calculation run time (seconds): 4036.971895
-2024-12-05 22:13:52,903 - INFO - wrote df_eigs to file: df_eigs.987498ce-5b91-4df6-924c-82d4841c17c2.bin
-2024-12-05 22:13:52,903 - INFO - deleting file fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-05 22:13:52,926 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-05 22:13:52,933 - INFO - this script has been running for 36.12 hours.
-2024-12-05 22:13:52,933 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-05 22:13:52,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-05 22:13:52,934 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 22:13:52,934 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-05 22:13:52,934 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-05 22:13:52,934 - INFO - problem_instance short name: ru_macho
-2024-12-05 22:13:52,934 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-05 22:13:52,934 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-05 22:13:52,934 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:52,934 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:52,934 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:52,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:52,936 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:52,936 - INFO - number of supporting files: 1
-2024-12-05 22:13:52,936 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-05 22:13:52,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-05 22:13:52,936 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-05 22:13:52,947 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:52,947 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-05 22:13:52,947 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-05 22:13:52,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:52,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:52,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:52,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:52,950 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:52,950 - INFO - number of supporting files: 1
-2024-12-05 22:13:52,950 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-05 22:13:52,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-05 22:13:52,950 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-05 22:13:52,960 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:52,961 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-05 22:13:52,961 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-05 22:13:52,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:52,961 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:52,961 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:52,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:52,963 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:52,963 - INFO - number of supporting files: 1
-2024-12-05 22:13:52,963 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-05 22:13:52,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-05 22:13:52,963 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-05 22:13:52,973 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:52,974 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-05 22:13:52,974 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-05 22:13:52,974 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:52,974 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:52,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:52,976 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:52,976 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:52,977 - INFO - number of supporting files: 1
-2024-12-05 22:13:52,977 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-05 22:13:52,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-05 22:13:52,977 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-05 22:13:52,987 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:52,988 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-05 22:13:52,988 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-05 22:13:52,988 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:52,988 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:52,988 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:52,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:52,990 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:52,990 - INFO - number of supporting files: 1
-2024-12-05 22:13:52,990 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-05 22:13:52,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-05 22:13:52,990 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-05 22:13:53,001 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,001 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,001 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-05 22:13:53,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:53,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:53,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:53,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,003 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,003 - INFO - number of supporting files: 1
-2024-12-05 22:13:53,003 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-05 22:13:53,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-05 22:13:53,004 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-05 22:13:53,015 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,015 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,015 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-05 22:13:53,016 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:53,016 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:53,016 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:53,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,018 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,018 - INFO - number of supporting files: 1
-2024-12-05 22:13:53,018 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-05 22:13:53,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-05 22:13:53,018 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-05 22:13:53,029 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,029 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,029 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-05 22:13:53,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:53,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:53,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:53,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,031 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,031 - INFO - number of supporting files: 1
-2024-12-05 22:13:53,031 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-05 22:13:53,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-05 22:13:53,032 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-05 22:13:53,042 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,043 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,043 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-05 22:13:53,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:53,043 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:53,043 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:53,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,045 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,045 - INFO - number of supporting files: 1
-2024-12-05 22:13:53,045 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-05 22:13:53,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-05 22:13:53,045 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-05 22:13:53,055 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,055 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,056 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-05 22:13:53,056 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-05 22:13:53,056 - INFO - problem_instance short name: cl2_0
-2024-12-05 22:13:53,056 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-05 22:13:53,056 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-05 22:13:53,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,057 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,057 - INFO - number of supporting files: 2
-2024-12-05 22:13:53,057 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-05 22:13:53,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-05 22:13:53,057 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-05 22:13:53,067 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,068 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,068 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-05 22:13:53,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-05 22:13:53,068 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 22:13:53,068 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-05 22:13:53,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,069 - INFO - number of orbitals:  118
-2024-12-05 22:13:53,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-05 22:13:53,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-05 22:13:53,069 - INFO - moving on ...
-2024-12-05 22:13:53,070 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-05 22:13:53,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,071 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,071 - INFO - number of supporting files: 2
-2024-12-05 22:13:53,071 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-05 22:13:53,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-05 22:13:53,071 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-05 22:13:53,081 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,081 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,081 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-05 22:13:53,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-05 22:13:53,081 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 22:13:53,081 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-05 22:13:53,082 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-05 22:13:53,082 - INFO - problem_instance short name: c_s_0
-2024-12-05 22:13:53,082 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-05 22:13:53,082 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-05 22:13:53,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,083 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,083 - INFO - number of supporting files: 2
-2024-12-05 22:13:53,083 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-05 22:13:53,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-05 22:13:53,083 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-05 22:13:53,093 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,093 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,094 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-05 22:13:53,094 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-05 22:13:53,094 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 22:13:53,094 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-05 22:13:53,095 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,095 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,095 - INFO - number of supporting files: 2
-2024-12-05 22:13:53,095 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-05 22:13:53,095 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-05 22:13:53,095 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-05 22:13:53,105 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,106 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,106 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-05 22:13:53,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-05 22:13:53,106 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-05 22:13:53,106 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-05 22:13:53,106 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-05 22:13:53,106 - INFO - problem_instance short name: cr_dimer
-2024-12-05 22:13:53,106 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-05 22:13:53,106 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-05 22:13:53,106 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:53,107 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:53,107 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:53,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,108 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,108 - INFO - number of supporting files: 1
-2024-12-05 22:13:53,109 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-05 22:13:53,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-05 22:13:53,109 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-05 22:13:53,119 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,119 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,119 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-05 22:13:53,119 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:53,119 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:53,119 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:53,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,121 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,121 - INFO - number of supporting files: 1
-2024-12-05 22:13:53,121 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-05 22:13:53,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-05 22:13:53,121 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-05 22:13:53,132 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,132 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,132 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-05 22:13:53,132 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:53,132 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:53,132 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:53,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,134 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,134 - INFO - number of supporting files: 1
-2024-12-05 22:13:53,134 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-05 22:13:53,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-05 22:13:53,134 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-05 22:13:53,145 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,145 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-05 22:13:53,145 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-05 22:13:53,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-05 22:13:53,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-05 22:13:53,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-05 22:13:53,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-05 22:13:53,147 - INFO - attempting to process the Hamiltonian...
-2024-12-05 22:13:53,147 - INFO - number of supporting files: 1
-2024-12-05 22:13:53,147 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-05 22:13:53,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-05 22:13:53,147 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-05 22:13:53,158 - INFO - number of entries in Hamiltonian_features.csv:  175
-2024-12-05 22:13:53,158 - INFO - did NOT find instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f in database.
-2024-12-05 22:13:53,158 - INFO - Processing instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f ...
-2024-12-05 22:13:53,158 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz...
-2024-12-05 22:13:53,165 - INFO - Connected (version 2.0, client 0)
-2024-12-05 22:13:53,693 - INFO - Authentication (publickey) successful!
-2024-12-05 22:13:53,714 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-05 22:14:02,337 - INFO - [chan 0] sftp session closed.
-2024-12-05 22:14:02,337 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-05 22:14:02,337 - INFO - decompressing file FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz...
-2024-12-05 22:14:03,530 - INFO - this script has been running for 36.13 hours.
-2024-12-05 22:14:03,530 - INFO - ===============================================
-2024-12-05 22:14:03,530 - INFO - calculating Hamiltonian features...
-2024-12-05 22:14:03,530 - INFO - reading data from FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f
-2024-12-05 22:14:13,758 - INFO - finished reading FCIDUMP data.
-2024-12-05 22:14:13,758 - INFO - data['NORB']: 76
-2024-12-05 22:14:13,758 - INFO - len(data['H1']): 76
-2024-12-05 22:14:13,758 - INFO - ao2mo.restore...
-2024-12-05 22:14:13,808 - INFO - done.
-2024-12-05 22:14:13,808 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-05 22:14:13,808 - INFO - done.
-2024-12-05 22:14:13,808 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 00:16:16,662 - INFO - done.
-2024-12-06 00:16:16,663 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 00:19:15,872 - INFO - done.
-2024-12-06 00:19:15,872 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 00:19:35,911 - INFO - done.
-2024-12-06 00:19:35,911 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 00:19:42,471 - INFO - done.
-2024-12-06 00:19:42,471 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 00:19:42,471 - INFO - done.
-2024-12-06 00:19:42,471 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 00:19:42,471 - INFO - done.
-2024-12-06 00:19:44,482 - INFO - Hamiltonian features calculation run time (seconds): 7540.952091
-2024-12-06 00:19:44,483 - INFO - wrote df_eigs to file: df_eigs.4412b7d6-86db-4616-9dd2-2c32ee02560f.bin
-2024-12-06 00:19:44,483 - INFO - deleting file FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-06 00:19:44,507 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 00:19:44,509 - INFO - this script has been running for 38.22 hours.
-2024-12-06 00:19:44,509 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-06 00:19:44,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 00:19:44,509 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 00:19:44,509 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 00:19:44,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 00:19:44,511 - INFO - attempting to process the Hamiltonian...
-2024-12-06 00:19:44,511 - INFO - number of supporting files: 1
-2024-12-06 00:19:44,511 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-06 00:19:44,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-06 00:19:44,511 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-06 00:19:44,522 - INFO - number of entries in Hamiltonian_features.csv:  176
-2024-12-06 00:19:44,522 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-06 00:19:44,522 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-06 00:19:44,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 00:19:44,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 00:19:44,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 00:19:44,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 00:19:44,524 - INFO - attempting to process the Hamiltonian...
-2024-12-06 00:19:44,524 - INFO - number of supporting files: 1
-2024-12-06 00:19:44,524 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-06 00:19:44,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-06 00:19:44,524 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-06 00:19:44,534 - INFO - number of entries in Hamiltonian_features.csv:  176
-2024-12-06 00:19:44,534 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-06 00:19:44,534 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-06 00:19:44,534 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 00:19:44,534 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 00:19:44,534 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 00:19:44,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 00:19:44,536 - INFO - attempting to process the Hamiltonian...
-2024-12-06 00:19:44,536 - INFO - number of supporting files: 1
-2024-12-06 00:19:44,536 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-06 00:19:44,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-06 00:19:44,536 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-06 00:19:44,546 - INFO - number of entries in Hamiltonian_features.csv:  176
-2024-12-06 00:19:44,546 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-06 00:19:44,547 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-06 00:19:44,547 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 00:19:44,547 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 00:19:44,547 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 00:19:44,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 00:19:44,548 - INFO - attempting to process the Hamiltonian...
-2024-12-06 00:19:44,549 - INFO - number of supporting files: 1
-2024-12-06 00:19:44,549 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-06 00:19:44,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-06 00:19:44,549 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-06 00:19:44,558 - INFO - number of entries in Hamiltonian_features.csv:  176
-2024-12-06 00:19:44,559 - INFO - did NOT find instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 in database.
-2024-12-06 00:19:44,559 - INFO - Processing instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 ...
-2024-12-06 00:19:44,559 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz...
-2024-12-06 00:19:44,564 - INFO - Connected (version 2.0, client 0)
-2024-12-06 00:19:45,063 - INFO - Authentication (publickey) successful!
-2024-12-06 00:19:45,079 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 00:19:53,450 - INFO - [chan 0] sftp session closed.
-2024-12-06 00:19:53,450 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 00:19:53,451 - INFO - decompressing file FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz...
-2024-12-06 00:19:54,623 - INFO - this script has been running for 38.22 hours.
-2024-12-06 00:19:54,623 - INFO - ===============================================
-2024-12-06 00:19:54,624 - INFO - calculating Hamiltonian features...
-2024-12-06 00:19:54,624 - INFO - reading data from FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8
-2024-12-06 00:20:04,755 - INFO - finished reading FCIDUMP data.
-2024-12-06 00:20:04,756 - INFO - data['NORB']: 76
-2024-12-06 00:20:04,756 - INFO - len(data['H1']): 76
-2024-12-06 00:20:04,756 - INFO - ao2mo.restore...
-2024-12-06 00:20:04,807 - INFO - done.
-2024-12-06 00:20:04,807 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 00:20:04,807 - INFO - done.
-2024-12-06 00:20:04,807 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 02:24:12,509 - INFO - done.
-2024-12-06 02:24:12,510 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 02:27:02,761 - INFO - done.
-2024-12-06 02:27:02,762 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 02:27:21,910 - INFO - done.
-2024-12-06 02:27:21,910 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 02:27:27,982 - INFO - done.
-2024-12-06 02:27:27,982 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 02:27:27,982 - INFO - done.
-2024-12-06 02:27:27,982 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 02:27:27,983 - INFO - done.
-2024-12-06 02:27:29,899 - INFO - Hamiltonian features calculation run time (seconds): 7655.275111
-2024-12-06 02:27:29,899 - INFO - wrote df_eigs to file: df_eigs.e2995852-9911-4021-a82f-5b14ddb2d5c8.bin
-2024-12-06 02:27:29,899 - INFO - deleting file FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-06 02:27:29,923 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 02:27:29,926 - INFO - this script has been running for 40.35 hours.
-2024-12-06 02:27:29,926 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-06 02:27:29,926 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 02:27:29,926 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 02:27:29,926 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 02:27:29,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 02:27:29,928 - INFO - attempting to process the Hamiltonian...
-2024-12-06 02:27:29,928 - INFO - number of supporting files: 1
-2024-12-06 02:27:29,928 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-06 02:27:29,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-06 02:27:29,928 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-06 02:27:29,938 - INFO - number of entries in Hamiltonian_features.csv:  177
-2024-12-06 02:27:29,938 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-06 02:27:29,938 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-06 02:27:29,938 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 02:27:29,938 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 02:27:29,938 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 02:27:29,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 02:27:29,940 - INFO - attempting to process the Hamiltonian...
-2024-12-06 02:27:29,940 - INFO - number of supporting files: 1
-2024-12-06 02:27:29,940 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-06 02:27:29,940 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-06 02:27:29,940 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-06 02:27:29,950 - INFO - number of entries in Hamiltonian_features.csv:  177
-2024-12-06 02:27:29,950 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-06 02:27:29,950 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-06 02:27:29,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 02:27:29,950 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 02:27:29,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 02:27:29,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 02:27:29,952 - INFO - attempting to process the Hamiltonian...
-2024-12-06 02:27:29,952 - INFO - number of supporting files: 1
-2024-12-06 02:27:29,952 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-06 02:27:29,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-06 02:27:29,952 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-06 02:27:29,962 - INFO - number of entries in Hamiltonian_features.csv:  177
-2024-12-06 02:27:29,962 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-06 02:27:29,962 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-06 02:27:29,963 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 02:27:29,963 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 02:27:29,963 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 02:27:29,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 02:27:29,964 - INFO - attempting to process the Hamiltonian...
-2024-12-06 02:27:29,965 - INFO - number of supporting files: 1
-2024-12-06 02:27:29,965 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-06 02:27:29,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-06 02:27:29,965 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-06 02:27:29,975 - INFO - number of entries in Hamiltonian_features.csv:  177
-2024-12-06 02:27:29,975 - INFO - did NOT find instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 in database.
-2024-12-06 02:27:29,975 - INFO - Processing instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 ...
-2024-12-06 02:27:29,975 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz...
-2024-12-06 02:27:29,980 - INFO - Connected (version 2.0, client 0)
-2024-12-06 02:27:30,485 - INFO - Authentication (publickey) successful!
-2024-12-06 02:27:30,500 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 02:27:39,185 - INFO - [chan 0] sftp session closed.
-2024-12-06 02:27:39,185 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 02:27:39,185 - INFO - decompressing file FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz...
-2024-12-06 02:27:40,313 - INFO - this script has been running for 40.35 hours.
-2024-12-06 02:27:40,314 - INFO - ===============================================
-2024-12-06 02:27:40,314 - INFO - calculating Hamiltonian features...
-2024-12-06 02:27:40,314 - INFO - reading data from FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079
-2024-12-06 02:27:49,671 - INFO - finished reading FCIDUMP data.
-2024-12-06 02:27:49,672 - INFO - data['NORB']: 76
-2024-12-06 02:27:49,672 - INFO - len(data['H1']): 76
-2024-12-06 02:27:49,672 - INFO - ao2mo.restore...
-2024-12-06 02:27:49,720 - INFO - done.
-2024-12-06 02:27:49,720 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 02:27:49,720 - INFO - done.
-2024-12-06 02:27:49,720 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 04:28:19,469 - INFO - done.
-2024-12-06 04:28:19,469 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 04:32:23,454 - INFO - done.
-2024-12-06 04:32:23,455 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 04:32:52,011 - INFO - done.
-2024-12-06 04:32:52,011 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 04:32:58,886 - INFO - done.
-2024-12-06 04:32:58,886 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 04:32:58,888 - INFO - done.
-2024-12-06 04:32:58,888 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 04:32:58,888 - INFO - done.
-2024-12-06 04:33:01,926 - INFO - Hamiltonian features calculation run time (seconds): 7521.612197
-2024-12-06 04:33:01,926 - INFO - wrote df_eigs to file: df_eigs.2101e6fa-9fb3-4697-98be-25a4e0de2079.bin
-2024-12-06 04:33:01,926 - INFO - deleting file FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-06 04:33:01,951 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 04:33:01,959 - INFO - this script has been running for 42.44 hours.
-2024-12-06 04:33:01,959 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-06 04:33:01,960 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-06 04:33:01,960 - INFO - problem_instance short name: Cu_1
-2024-12-06 04:33:01,960 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 04:33:01,960 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-06 04:33:01,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 04:33:01,961 - INFO - attempting to process the Hamiltonian...
-2024-12-06 04:33:01,961 - INFO - number of supporting files: 2
-2024-12-06 04:33:01,962 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-06 04:33:01,962 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-06 04:33:01,962 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-06 04:33:01,973 - INFO - number of entries in Hamiltonian_features.csv:  178
-2024-12-06 04:33:01,973 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-06 04:33:01,974 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-06 04:33:01,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-06 04:33:01,974 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 04:33:01,974 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-06 04:33:01,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 04:33:01,975 - INFO - number of orbitals:  88
-2024-12-06 04:33:01,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 04:33:01,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 04:33:01,975 - INFO - moving on ...
-2024-12-06 04:33:01,975 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-06 04:33:01,976 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-06 04:33:01,976 - INFO - problem_instance short name: Cr_1
-2024-12-06 04:33:01,976 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 04:33:01,976 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-06 04:33:01,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 04:33:01,977 - INFO - attempting to process the Hamiltonian...
-2024-12-06 04:33:01,978 - INFO - number of supporting files: 2
-2024-12-06 04:33:01,978 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-06 04:33:01,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-06 04:33:01,978 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-06 04:33:01,989 - INFO - number of entries in Hamiltonian_features.csv:  178
-2024-12-06 04:33:01,989 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-06 04:33:01,989 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-06 04:33:01,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-06 04:33:01,989 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 04:33:01,989 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-06 04:33:01,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 04:33:01,991 - INFO - number of orbitals:  135
-2024-12-06 04:33:01,991 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 04:33:01,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 04:33:01,991 - INFO - moving on ...
-2024-12-06 04:33:01,991 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-06 04:33:01,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 04:33:01,992 - INFO - number of orbitals:  88
-2024-12-06 04:33:01,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 04:33:01,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 04:33:01,992 - INFO - moving on ...
-2024-12-06 04:33:01,992 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-06 04:33:01,992 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-06 04:33:01,992 - INFO - problem_instance short name: c_h4_0
-2024-12-06 04:33:01,992 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 04:33:01,992 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-06 04:33:01,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 04:33:01,994 - INFO - attempting to process the Hamiltonian...
-2024-12-06 04:33:01,994 - INFO - number of supporting files: 2
-2024-12-06 04:33:01,994 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-06 04:33:01,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-06 04:33:01,994 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-06 04:33:02,005 - INFO - number of entries in Hamiltonian_features.csv:  178
-2024-12-06 04:33:02,005 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-06 04:33:02,005 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-06 04:33:02,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-06 04:33:02,005 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 04:33:02,005 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-06 04:33:02,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 04:33:02,006 - INFO - number of orbitals:  86
-2024-12-06 04:33:02,006 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 04:33:02,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 04:33:02,007 - INFO - moving on ...
-2024-12-06 04:33:02,007 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-06 04:33:02,007 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-06 04:33:02,007 - INFO - problem_instance short name: MnO_0
-2024-12-06 04:33:02,007 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 04:33:02,007 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-06 04:33:02,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 04:33:02,008 - INFO - attempting to process the Hamiltonian...
-2024-12-06 04:33:02,008 - INFO - number of supporting files: 2
-2024-12-06 04:33:02,008 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-06 04:33:02,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-06 04:33:02,008 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-06 04:33:02,019 - INFO - number of entries in Hamiltonian_features.csv:  178
-2024-12-06 04:33:02,019 - INFO - did NOT find instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb in database.
-2024-12-06 04:33:02,019 - INFO - Processing instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb ...
-2024-12-06 04:33:02,019 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz...
-2024-12-06 04:33:02,025 - INFO - Connected (version 2.0, client 0)
-2024-12-06 04:33:02,566 - INFO - Authentication (publickey) successful!
-2024-12-06 04:33:02,590 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 04:33:10,973 - INFO - [chan 0] sftp session closed.
-2024-12-06 04:33:10,973 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 04:33:10,974 - INFO - decompressing file fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz...
-2024-12-06 04:33:12,099 - INFO - this script has been running for 42.45 hours.
-2024-12-06 04:33:12,099 - INFO - ===============================================
-2024-12-06 04:33:12,099 - INFO - calculating Hamiltonian features...
-2024-12-06 04:33:12,099 - INFO - reading data from fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb
-2024-12-06 04:33:21,412 - INFO - finished reading FCIDUMP data.
-2024-12-06 04:33:21,412 - INFO - data['NORB']: 76
-2024-12-06 04:33:21,412 - INFO - len(data['H1']): 76
-2024-12-06 04:33:21,412 - INFO - ao2mo.restore...
-2024-12-06 04:33:21,462 - INFO - done.
-2024-12-06 04:33:21,463 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 04:33:21,463 - INFO - done.
-2024-12-06 04:33:21,463 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 05:34:51,564 - INFO - done.
-2024-12-06 05:34:51,564 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 05:38:16,519 - INFO - done.
-2024-12-06 05:38:16,519 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 05:38:39,529 - INFO - done.
-2024-12-06 05:38:39,529 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 05:38:45,888 - INFO - done.
-2024-12-06 05:38:45,888 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 05:38:45,889 - INFO - done.
-2024-12-06 05:38:45,889 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 05:38:45,889 - INFO - done.
-2024-12-06 05:38:48,120 - INFO - Hamiltonian features calculation run time (seconds): 3936.020337
-2024-12-06 05:38:48,120 - INFO - wrote df_eigs to file: df_eigs.55355f72-52f0-427d-b5ac-3b41666ca5fb.bin
-2024-12-06 05:38:48,120 - INFO - deleting file fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-06 05:38:48,148 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 05:38:48,156 - INFO - this script has been running for 43.54 hours.
-2024-12-06 05:38:48,156 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-06 05:38:48,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-06 05:38:48,156 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 05:38:48,156 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-06 05:38:48,156 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-06 05:38:48,156 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-06 05:38:48,156 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 05:38:48,156 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-06 05:38:48,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,158 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,158 - INFO - number of supporting files: 2
-2024-12-06 05:38:48,158 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-06 05:38:48,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-06 05:38:48,158 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-06 05:38:48,169 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,169 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,169 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-06 05:38:48,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-06 05:38:48,170 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 05:38:48,170 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-06 05:38:48,170 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-06 05:38:48,170 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-06 05:38:48,170 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 05:38:48,170 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-06 05:38:48,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,171 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,171 - INFO - number of supporting files: 2
-2024-12-06 05:38:48,171 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-06 05:38:48,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-06 05:38:48,172 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-06 05:38:48,182 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,183 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,183 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-06 05:38:48,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-06 05:38:48,183 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 05:38:48,183 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-06 05:38:48,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,184 - INFO - number of orbitals:  119
-2024-12-06 05:38:48,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 05:38:48,185 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 05:38:48,185 - INFO - moving on ...
-2024-12-06 05:38:48,185 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-06 05:38:48,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,186 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,186 - INFO - number of supporting files: 2
-2024-12-06 05:38:48,186 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-06 05:38:48,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-06 05:38:48,186 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-06 05:38:48,198 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,198 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,198 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-06 05:38:48,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-06 05:38:48,198 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 05:38:48,198 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-06 05:38:48,198 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-06 05:38:48,199 - INFO - problem_instance short name: ru_mono
-2024-12-06 05:38:48,199 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-06 05:38:48,199 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-06 05:38:48,199 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 05:38:48,199 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 05:38:48,199 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 05:38:48,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,201 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,201 - INFO - number of supporting files: 1
-2024-12-06 05:38:48,201 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-06 05:38:48,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-06 05:38:48,201 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-06 05:38:48,212 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,213 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,213 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-06 05:38:48,213 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 05:38:48,213 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 05:38:48,213 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 05:38:48,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,215 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,215 - INFO - number of supporting files: 1
-2024-12-06 05:38:48,215 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-06 05:38:48,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-06 05:38:48,215 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-06 05:38:48,226 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,227 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,227 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-06 05:38:48,227 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 05:38:48,227 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 05:38:48,227 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 05:38:48,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,229 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,229 - INFO - number of supporting files: 1
-2024-12-06 05:38:48,229 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-06 05:38:48,229 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-06 05:38:48,229 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-06 05:38:48,240 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,240 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,240 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-06 05:38:48,240 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 05:38:48,241 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 05:38:48,241 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 05:38:48,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,243 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,243 - INFO - number of supporting files: 1
-2024-12-06 05:38:48,243 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-06 05:38:48,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-06 05:38:48,243 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-06 05:38:48,254 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,254 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,254 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-06 05:38:48,254 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 05:38:48,254 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 05:38:48,254 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 05:38:48,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,256 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,256 - INFO - number of supporting files: 1
-2024-12-06 05:38:48,256 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-06 05:38:48,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-06 05:38:48,256 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-06 05:38:48,267 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,267 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,267 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-06 05:38:48,267 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 05:38:48,267 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 05:38:48,267 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 05:38:48,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,269 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,269 - INFO - number of supporting files: 1
-2024-12-06 05:38:48,269 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-06 05:38:48,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-06 05:38:48,269 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-06 05:38:48,280 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,280 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,280 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-06 05:38:48,281 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-06 05:38:48,281 - INFO - problem_instance short name: planted_solution_0011
-2024-12-06 05:38:48,281 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 05:38:48,281 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-06 05:38:48,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,282 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,282 - INFO - number of supporting files: 1
-2024-12-06 05:38:48,282 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-06 05:38:48,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-06 05:38:48,282 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-06 05:38:48,293 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,293 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,293 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-06 05:38:48,293 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-06 05:38:48,293 - INFO - problem_instance short name: li_h_0
-2024-12-06 05:38:48,294 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 05:38:48,294 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-06 05:38:48,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,295 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,295 - INFO - number of supporting files: 2
-2024-12-06 05:38:48,295 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-06 05:38:48,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-06 05:38:48,295 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-06 05:38:48,305 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,305 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,305 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-06 05:38:48,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-06 05:38:48,305 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 05:38:48,305 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-06 05:38:48,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,307 - INFO - number of orbitals:  85
-2024-12-06 05:38:48,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 05:38:48,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 05:38:48,307 - INFO - moving on ...
-2024-12-06 05:38:48,307 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-06 05:38:48,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,308 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,308 - INFO - number of supporting files: 2
-2024-12-06 05:38:48,308 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-06 05:38:48,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-06 05:38:48,308 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-06 05:38:48,318 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,319 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,319 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-06 05:38:48,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-06 05:38:48,319 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 05:38:48,319 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-06 05:38:48,319 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-06 05:38:48,319 - INFO - problem_instance short name: Mn_1
-2024-12-06 05:38:48,319 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 05:38:48,319 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-06 05:38:48,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,321 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,321 - INFO - number of supporting files: 2
-2024-12-06 05:38:48,321 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-06 05:38:48,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-06 05:38:48,321 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-06 05:38:48,331 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,332 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-06 05:38:48,332 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-06 05:38:48,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-06 05:38:48,332 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 05:38:48,332 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-06 05:38:48,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,333 - INFO - number of orbitals:  88
-2024-12-06 05:38:48,333 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 05:38:48,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 05:38:48,334 - INFO - moving on ...
-2024-12-06 05:38:48,334 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-06 05:38:48,334 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-06 05:38:48,334 - INFO - problem_instance short name: FeO_0
-2024-12-06 05:38:48,334 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 05:38:48,334 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-06 05:38:48,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 05:38:48,335 - INFO - attempting to process the Hamiltonian...
-2024-12-06 05:38:48,335 - INFO - number of supporting files: 2
-2024-12-06 05:38:48,335 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-06 05:38:48,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-06 05:38:48,336 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-06 05:38:48,347 - INFO - number of entries in Hamiltonian_features.csv:  179
-2024-12-06 05:38:48,347 - INFO - did NOT find instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 in database.
-2024-12-06 05:38:48,347 - INFO - Processing instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 ...
-2024-12-06 05:38:48,347 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz...
-2024-12-06 05:38:48,353 - INFO - Connected (version 2.0, client 0)
-2024-12-06 05:38:48,868 - INFO - Authentication (publickey) successful!
-2024-12-06 05:38:49,034 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 05:38:55,506 - INFO - [chan 0] sftp session closed.
-2024-12-06 05:38:55,506 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 05:38:55,506 - INFO - decompressing file fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz...
-2024-12-06 05:38:56,598 - INFO - this script has been running for 43.54 hours.
-2024-12-06 05:38:56,598 - INFO - ===============================================
-2024-12-06 05:38:56,598 - INFO - calculating Hamiltonian features...
-2024-12-06 05:38:56,598 - INFO - reading data from fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459
-2024-12-06 05:39:05,659 - INFO - finished reading FCIDUMP data.
-2024-12-06 05:39:05,659 - INFO - data['NORB']: 76
-2024-12-06 05:39:05,659 - INFO - len(data['H1']): 76
-2024-12-06 05:39:05,659 - INFO - ao2mo.restore...
-2024-12-06 05:39:05,710 - INFO - done.
-2024-12-06 05:39:05,710 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 05:39:05,710 - INFO - done.
-2024-12-06 05:39:05,710 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 06:41:44,839 - INFO - done.
-2024-12-06 06:41:44,839 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 06:47:50,391 - INFO - done.
-2024-12-06 06:47:50,391 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 06:48:35,836 - INFO - done.
-2024-12-06 06:48:35,836 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 06:48:42,409 - INFO - done.
-2024-12-06 06:48:42,409 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 06:48:42,409 - INFO - done.
-2024-12-06 06:48:42,409 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 06:48:42,409 - INFO - done.
-2024-12-06 06:48:45,780 - INFO - Hamiltonian features calculation run time (seconds): 4189.181531
-2024-12-06 06:48:45,780 - INFO - wrote df_eigs to file: df_eigs.3f1777dc-c493-4aa7-b3d1-6271d9bed459.bin
-2024-12-06 06:48:45,780 - INFO - deleting file fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-06 06:48:45,804 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 06:48:45,811 - INFO - this script has been running for 44.70 hours.
-2024-12-06 06:48:45,812 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-06 06:48:45,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-06 06:48:45,812 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 06:48:45,812 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-06 06:48:45,812 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-06 06:48:45,812 - INFO - problem_instance short name: c2_h2_0
-2024-12-06 06:48:45,812 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 06:48:45,812 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-06 06:48:45,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 06:48:45,813 - INFO - attempting to process the Hamiltonian...
-2024-12-06 06:48:45,814 - INFO - number of supporting files: 2
-2024-12-06 06:48:45,814 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-06 06:48:45,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-06 06:48:45,814 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-06 06:48:45,824 - INFO - number of entries in Hamiltonian_features.csv:  180
-2024-12-06 06:48:45,825 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-06 06:48:45,825 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-06 06:48:45,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-06 06:48:45,825 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 06:48:45,825 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-06 06:48:45,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 06:48:45,826 - INFO - number of orbitals:  88
-2024-12-06 06:48:45,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 06:48:45,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 06:48:45,826 - INFO - moving on ...
-2024-12-06 06:48:45,826 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-06 06:48:45,826 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-06 06:48:45,826 - INFO - problem_instance short name: c2_h4_0
-2024-12-06 06:48:45,827 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 06:48:45,827 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-06 06:48:45,828 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 06:48:45,828 - INFO - attempting to process the Hamiltonian...
-2024-12-06 06:48:45,828 - INFO - number of supporting files: 2
-2024-12-06 06:48:45,828 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-06 06:48:45,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-06 06:48:45,828 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-06 06:48:45,839 - INFO - number of entries in Hamiltonian_features.csv:  180
-2024-12-06 06:48:45,839 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-06 06:48:45,839 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-06 06:48:45,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-06 06:48:45,839 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 06:48:45,839 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-06 06:48:45,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 06:48:45,841 - INFO - number of orbitals:  116
-2024-12-06 06:48:45,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 06:48:45,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 06:48:45,841 - INFO - moving on ...
-2024-12-06 06:48:45,841 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-06 06:48:45,841 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-06 06:48:45,841 - INFO - problem_instance short name: planted_solution_0007
-2024-12-06 06:48:45,841 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 06:48:45,841 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-06 06:48:45,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 06:48:45,842 - INFO - attempting to process the Hamiltonian...
-2024-12-06 06:48:45,842 - INFO - number of supporting files: 1
-2024-12-06 06:48:45,842 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-06 06:48:45,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-06 06:48:45,842 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-06 06:48:45,853 - INFO - number of entries in Hamiltonian_features.csv:  180
-2024-12-06 06:48:45,853 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-06 06:48:45,854 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-06 06:48:45,854 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-06 06:48:45,854 - INFO - problem_instance short name: TiO_0
-2024-12-06 06:48:45,854 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 06:48:45,854 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-06 06:48:45,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 06:48:45,855 - INFO - attempting to process the Hamiltonian...
-2024-12-06 06:48:45,855 - INFO - number of supporting files: 2
-2024-12-06 06:48:45,855 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-06 06:48:45,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-06 06:48:45,855 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-06 06:48:45,866 - INFO - number of entries in Hamiltonian_features.csv:  180
-2024-12-06 06:48:45,866 - INFO - did NOT find instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 in database.
-2024-12-06 06:48:45,866 - INFO - Processing instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 ...
-2024-12-06 06:48:45,866 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz...
-2024-12-06 06:48:45,872 - INFO - Connected (version 2.0, client 0)
-2024-12-06 06:48:46,395 - INFO - Authentication (publickey) successful!
-2024-12-06 06:48:46,417 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 06:48:55,219 - INFO - [chan 0] sftp session closed.
-2024-12-06 06:48:55,219 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 06:48:55,219 - INFO - decompressing file fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz...
-2024-12-06 06:48:56,397 - INFO - this script has been running for 44.71 hours.
-2024-12-06 06:48:56,397 - INFO - ===============================================
-2024-12-06 06:48:56,397 - INFO - calculating Hamiltonian features...
-2024-12-06 06:48:56,397 - INFO - reading data from fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1
-2024-12-06 06:49:06,425 - INFO - finished reading FCIDUMP data.
-2024-12-06 06:49:06,425 - INFO - data['NORB']: 76
-2024-12-06 06:49:06,425 - INFO - len(data['H1']): 76
-2024-12-06 06:49:06,425 - INFO - ao2mo.restore...
-2024-12-06 06:49:06,474 - INFO - done.
-2024-12-06 06:49:06,474 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 06:49:06,474 - INFO - done.
-2024-12-06 06:49:06,474 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 07:56:47,089 - INFO - done.
-2024-12-06 07:56:47,089 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 08:02:51,887 - INFO - done.
-2024-12-06 08:02:51,888 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 08:03:30,430 - INFO - done.
-2024-12-06 08:03:30,430 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 08:03:36,771 - INFO - done.
-2024-12-06 08:03:36,771 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 08:03:36,772 - INFO - done.
-2024-12-06 08:03:36,772 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 08:03:36,772 - INFO - done.
-2024-12-06 08:03:40,277 - INFO - Hamiltonian features calculation run time (seconds): 4483.879868
-2024-12-06 08:03:40,278 - INFO - wrote df_eigs to file: df_eigs.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.bin
-2024-12-06 08:03:40,278 - INFO - deleting file fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-06 08:03:40,305 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 08:03:40,313 - INFO - this script has been running for 45.95 hours.
-2024-12-06 08:03:40,313 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-06 08:03:40,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-06 08:03:40,313 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,313 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-06 08:03:40,314 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-06 08:03:40,314 - INFO - problem_instance short name: planted_solution_0002
-2024-12-06 08:03:40,314 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,314 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-06 08:03:40,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,316 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,316 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,316 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-06 08:03:40,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-06 08:03:40,316 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-06 08:03:40,328 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,328 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,328 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-06 08:03:40,328 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-06 08:03:40,328 - INFO - problem_instance short name: Cu_0
-2024-12-06 08:03:40,328 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,328 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-06 08:03:40,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,330 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,330 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,330 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-06 08:03:40,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-06 08:03:40,331 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-06 08:03:40,342 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,342 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,342 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-06 08:03:40,342 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-06 08:03:40,342 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,342 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-06 08:03:40,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,344 - INFO - number of orbitals:  88
-2024-12-06 08:03:40,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,344 - INFO - moving on ...
-2024-12-06 08:03:40,344 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-06 08:03:40,344 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-06 08:03:40,344 - INFO - problem_instance short name: ozone
-2024-12-06 08:03:40,344 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,344 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-06 08:03:40,344 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,345 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,345 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,346 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,346 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,347 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-06 08:03:40,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-06 08:03:40,347 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-06 08:03:40,358 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,358 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,358 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-06 08:03:40,358 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,359 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,359 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,360 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,360 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,360 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-06 08:03:40,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-06 08:03:40,361 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-06 08:03:40,372 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,372 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,372 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-06 08:03:40,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,372 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,372 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,374 - INFO - number of orbitals:  90
-2024-12-06 08:03:40,374 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,374 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,374 - INFO - moving on ...
-2024-12-06 08:03:40,374 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-06 08:03:40,374 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,374 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,375 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,376 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,376 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,376 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-06 08:03:40,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-06 08:03:40,376 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-06 08:03:40,387 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,388 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,388 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-06 08:03:40,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,390 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,390 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,390 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-06 08:03:40,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-06 08:03:40,390 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-06 08:03:40,401 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,402 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,402 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-06 08:03:40,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,404 - INFO - number of orbitals:  90
-2024-12-06 08:03:40,404 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,404 - INFO - moving on ...
-2024-12-06 08:03:40,404 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-06 08:03:40,404 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-06 08:03:40,404 - INFO - problem_instance short name: na2_0
-2024-12-06 08:03:40,404 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,404 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-06 08:03:40,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,406 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,406 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,406 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-06 08:03:40,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-06 08:03:40,406 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-06 08:03:40,416 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,417 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,417 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-06 08:03:40,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-06 08:03:40,417 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,417 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-06 08:03:40,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,419 - INFO - number of orbitals:  118
-2024-12-06 08:03:40,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,419 - INFO - moving on ...
-2024-12-06 08:03:40,419 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-06 08:03:40,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,420 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,420 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,420 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-06 08:03:40,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-06 08:03:40,420 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-06 08:03:40,431 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,431 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,431 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-06 08:03:40,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-06 08:03:40,431 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,431 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-06 08:03:40,432 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-06 08:03:40,432 - INFO - problem_instance short name: h2_c_o_0
-2024-12-06 08:03:40,432 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,432 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-06 08:03:40,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,433 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,433 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,433 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-06 08:03:40,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-06 08:03:40,433 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-06 08:03:40,445 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,445 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,445 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-06 08:03:40,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-06 08:03:40,445 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,446 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-06 08:03:40,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,447 - INFO - number of orbitals:  88
-2024-12-06 08:03:40,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,447 - INFO - moving on ...
-2024-12-06 08:03:40,447 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-06 08:03:40,448 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-06 08:03:40,448 - INFO - problem_instance short name: h_cl_0
-2024-12-06 08:03:40,448 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,448 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-06 08:03:40,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,449 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,449 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,449 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-06 08:03:40,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-06 08:03:40,449 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-06 08:03:40,461 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,461 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,461 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-06 08:03:40,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-06 08:03:40,461 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,461 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-06 08:03:40,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,463 - INFO - number of orbitals:  89
-2024-12-06 08:03:40,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,463 - INFO - moving on ...
-2024-12-06 08:03:40,463 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-06 08:03:40,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,464 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,464 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,464 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-06 08:03:40,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-06 08:03:40,464 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-06 08:03:40,475 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,475 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,476 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-06 08:03:40,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-06 08:03:40,476 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,476 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-06 08:03:40,476 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-06 08:03:40,476 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-06 08:03:40,476 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,476 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-06 08:03:40,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,476 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,476 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,478 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,478 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,478 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-06 08:03:40,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-06 08:03:40,479 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-06 08:03:40,490 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,490 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,490 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-06 08:03:40,490 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,490 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,490 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,492 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,492 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,492 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-06 08:03:40,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-06 08:03:40,493 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-06 08:03:40,504 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,504 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,504 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-06 08:03:40,505 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,505 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,507 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,507 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,507 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-06 08:03:40,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-06 08:03:40,507 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-06 08:03:40,518 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,519 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,519 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-06 08:03:40,519 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,519 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,519 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,521 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,521 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,521 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-06 08:03:40,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-06 08:03:40,521 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-06 08:03:40,533 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,533 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,533 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-06 08:03:40,533 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,533 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,533 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,535 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,535 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,535 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-06 08:03:40,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-06 08:03:40,535 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-06 08:03:40,547 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,547 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,547 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-06 08:03:40,547 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,547 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,547 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,549 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,549 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,549 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-06 08:03:40,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-06 08:03:40,550 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-06 08:03:40,560 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,561 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,561 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-06 08:03:40,561 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,561 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,561 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,563 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,563 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,563 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-06 08:03:40,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-06 08:03:40,563 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-06 08:03:40,574 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,574 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,574 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-06 08:03:40,574 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,574 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,574 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,576 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,576 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,576 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-06 08:03:40,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-06 08:03:40,576 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-06 08:03:40,588 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,588 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,588 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-06 08:03:40,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,588 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,588 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,590 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,590 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,590 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-06 08:03:40,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-06 08:03:40,590 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-06 08:03:40,601 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,602 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,602 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-06 08:03:40,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,602 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,602 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,604 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,604 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,604 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-06 08:03:40,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-06 08:03:40,604 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-06 08:03:40,615 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,615 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,615 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-06 08:03:40,615 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,616 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,616 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,618 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,618 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,618 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-06 08:03:40,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-06 08:03:40,618 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-06 08:03:40,629 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,629 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,629 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-06 08:03:40,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,631 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,631 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,631 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-06 08:03:40,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-06 08:03:40,631 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-06 08:03:40,642 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,643 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,643 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-06 08:03:40,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,645 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,645 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,645 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-06 08:03:40,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-06 08:03:40,645 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-06 08:03:40,657 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,657 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,657 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-06 08:03:40,657 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,657 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,657 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,659 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,659 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,659 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-06 08:03:40,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-06 08:03:40,659 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-06 08:03:40,670 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,671 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,671 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-06 08:03:40,671 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,671 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,671 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,673 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,673 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,673 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-06 08:03:40,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-06 08:03:40,673 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-06 08:03:40,684 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,684 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,684 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-06 08:03:40,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,685 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,685 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,686 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,686 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,687 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-06 08:03:40,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-06 08:03:40,687 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-06 08:03:40,697 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,698 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,698 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-06 08:03:40,698 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-06 08:03:40,698 - INFO - problem_instance short name: Ti_1
-2024-12-06 08:03:40,698 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,698 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-06 08:03:40,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,699 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,699 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,699 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-06 08:03:40,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-06 08:03:40,700 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-06 08:03:40,710 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,711 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,711 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-06 08:03:40,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-06 08:03:40,711 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,711 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-06 08:03:40,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,712 - INFO - number of orbitals:  88
-2024-12-06 08:03:40,712 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,712 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,712 - INFO - moving on ...
-2024-12-06 08:03:40,712 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-06 08:03:40,713 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-06 08:03:40,713 - INFO - problem_instance short name: h2_o2_0
-2024-12-06 08:03:40,713 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,713 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-06 08:03:40,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,714 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,714 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,714 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-06 08:03:40,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-06 08:03:40,714 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-06 08:03:40,724 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,724 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,725 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-06 08:03:40,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-06 08:03:40,725 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,725 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-06 08:03:40,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,726 - INFO - number of orbitals:  88
-2024-12-06 08:03:40,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,726 - INFO - moving on ...
-2024-12-06 08:03:40,726 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-06 08:03:40,726 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-06 08:03:40,726 - INFO - problem_instance short name: mo_n2
-2024-12-06 08:03:40,726 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,726 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-06 08:03:40,726 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,726 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,728 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,728 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,728 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-06 08:03:40,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-06 08:03:40,728 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-06 08:03:40,738 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,739 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,739 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-06 08:03:40,739 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,739 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,739 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,740 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,740 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,740 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-06 08:03:40,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-06 08:03:40,741 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-06 08:03:40,751 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,751 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,751 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-06 08:03:40,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,753 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,753 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,753 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-06 08:03:40,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-06 08:03:40,753 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-06 08:03:40,764 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,764 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,764 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-06 08:03:40,764 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:03:40,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:03:40,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:03:40,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,766 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,766 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,766 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-06 08:03:40,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-06 08:03:40,767 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-06 08:03:40,777 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,777 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,777 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-06 08:03:40,777 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-06 08:03:40,777 - INFO - problem_instance short name: c_o2_0
-2024-12-06 08:03:40,777 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,778 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-06 08:03:40,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,779 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,779 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,779 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-06 08:03:40,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-06 08:03:40,779 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-06 08:03:40,790 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,790 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,790 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-06 08:03:40,790 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-06 08:03:40,790 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,790 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-06 08:03:40,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,792 - INFO - number of orbitals:  90
-2024-12-06 08:03:40,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,792 - INFO - moving on ...
-2024-12-06 08:03:40,792 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-06 08:03:40,792 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-06 08:03:40,792 - INFO - problem_instance short name: f2_0
-2024-12-06 08:03:40,792 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,792 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-06 08:03:40,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,793 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,793 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,793 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-06 08:03:40,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-06 08:03:40,793 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-06 08:03:40,804 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,805 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,805 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-06 08:03:40,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-06 08:03:40,805 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,805 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-06 08:03:40,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,806 - INFO - number of orbitals:  110
-2024-12-06 08:03:40,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:03:40,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:03:40,806 - INFO - moving on ...
-2024-12-06 08:03:40,806 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-06 08:03:40,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,807 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,807 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,807 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-06 08:03:40,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-06 08:03:40,808 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-06 08:03:40,818 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,819 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,819 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-06 08:03:40,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-06 08:03:40,819 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:03:40,819 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-06 08:03:40,819 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-06 08:03:40,819 - INFO - problem_instance short name: planted_solution_0005
-2024-12-06 08:03:40,819 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,819 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-06 08:03:40,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,820 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,820 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,820 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-06 08:03:40,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-06 08:03:40,820 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-06 08:03:40,831 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,831 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,831 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-06 08:03:40,831 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-06 08:03:40,831 - INFO - problem_instance short name: planted_solution_0006
-2024-12-06 08:03:40,831 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,832 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-06 08:03:40,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,833 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,833 - INFO - number of supporting files: 1
-2024-12-06 08:03:40,833 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-06 08:03:40,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-06 08:03:40,833 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-06 08:03:40,844 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,844 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-06 08:03:40,844 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-06 08:03:40,844 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-06 08:03:40,844 - INFO - problem_instance short name: CrO_0
-2024-12-06 08:03:40,844 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:03:40,844 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-06 08:03:40,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:03:40,846 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:03:40,846 - INFO - number of supporting files: 2
-2024-12-06 08:03:40,846 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-06 08:03:40,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-06 08:03:40,846 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-06 08:03:40,856 - INFO - number of entries in Hamiltonian_features.csv:  181
-2024-12-06 08:03:40,857 - INFO - did NOT find instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 in database.
-2024-12-06 08:03:40,857 - INFO - Processing instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 ...
-2024-12-06 08:03:40,857 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz...
-2024-12-06 08:03:40,861 - INFO - Connected (version 2.0, client 0)
-2024-12-06 08:03:41,375 - INFO - Authentication (publickey) successful!
-2024-12-06 08:03:41,395 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 08:03:46,844 - INFO - [chan 0] sftp session closed.
-2024-12-06 08:03:46,844 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 08:03:46,844 - INFO - decompressing file fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz...
-2024-12-06 08:03:47,711 - INFO - this script has been running for 45.96 hours.
-2024-12-06 08:03:47,711 - INFO - ===============================================
-2024-12-06 08:03:47,711 - INFO - calculating Hamiltonian features...
-2024-12-06 08:03:47,711 - INFO - reading data from fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55
-2024-12-06 08:03:55,268 - INFO - finished reading FCIDUMP data.
-2024-12-06 08:03:55,268 - INFO - data['NORB']: 76
-2024-12-06 08:03:55,268 - INFO - len(data['H1']): 76
-2024-12-06 08:03:55,268 - INFO - ao2mo.restore...
-2024-12-06 08:03:55,336 - INFO - done.
-2024-12-06 08:03:55,337 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 08:03:55,337 - INFO - done.
-2024-12-06 08:03:55,337 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 08:53:43,933 - INFO - done.
-2024-12-06 08:53:43,933 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 08:57:14,709 - INFO - done.
-2024-12-06 08:57:14,709 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 08:57:39,746 - INFO - done.
-2024-12-06 08:57:39,746 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 08:57:46,261 - INFO - done.
-2024-12-06 08:57:46,261 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 08:57:46,262 - INFO - done.
-2024-12-06 08:57:46,262 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 08:57:46,262 - INFO - done.
-2024-12-06 08:57:48,319 - INFO - Hamiltonian features calculation run time (seconds): 3240.607996
-2024-12-06 08:57:48,319 - INFO - wrote df_eigs to file: df_eigs.b9a18106-c719-4d0c-af12-30ded772eb55.bin
-2024-12-06 08:57:48,319 - INFO - deleting file fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-06 08:57:48,340 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 08:57:48,347 - INFO - this script has been running for 46.86 hours.
-2024-12-06 08:57:48,347 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-06 08:57:48,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-06 08:57:48,347 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,347 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-06 08:57:48,347 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-06 08:57:48,347 - INFO - problem_instance short name: na_cl_0
-2024-12-06 08:57:48,347 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,347 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-06 08:57:48,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,349 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,349 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,349 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-06 08:57:48,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-06 08:57:48,349 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-06 08:57:48,360 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,360 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,360 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-06 08:57:48,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-06 08:57:48,360 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,360 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-06 08:57:48,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,362 - INFO - number of orbitals:  118
-2024-12-06 08:57:48,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:57:48,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:57:48,362 - INFO - moving on ...
-2024-12-06 08:57:48,362 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-06 08:57:48,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,363 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,363 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,363 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-06 08:57:48,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-06 08:57:48,363 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-06 08:57:48,374 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,374 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,374 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-06 08:57:48,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-06 08:57:48,374 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,374 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-06 08:57:48,375 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-06 08:57:48,375 - INFO - problem_instance short name: benzene
-2024-12-06 08:57:48,375 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,375 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-06 08:57:48,375 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,375 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,375 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,377 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,377 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,377 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-06 08:57:48,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-06 08:57:48,377 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-06 08:57:48,387 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,388 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,388 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-06 08:57:48,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,390 - INFO - number of orbitals:  108
-2024-12-06 08:57:48,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:57:48,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:57:48,390 - INFO - moving on ...
-2024-12-06 08:57:48,390 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-06 08:57:48,390 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-06 08:57:48,390 - INFO - problem_instance short name: si2_h6_0
-2024-12-06 08:57:48,390 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,390 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-06 08:57:48,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,392 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,392 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,392 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-06 08:57:48,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-06 08:57:48,392 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-06 08:57:48,402 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,403 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,403 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-06 08:57:48,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-06 08:57:48,403 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,403 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-06 08:57:48,403 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-06 08:57:48,403 - INFO - problem_instance short name: c2_h6_0
-2024-12-06 08:57:48,403 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,403 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-06 08:57:48,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,404 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,405 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,405 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-06 08:57:48,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-06 08:57:48,405 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-06 08:57:48,416 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,416 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,416 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-06 08:57:48,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-06 08:57:48,416 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,416 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-06 08:57:48,416 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-06 08:57:48,416 - INFO - problem_instance short name: fe_red
-2024-12-06 08:57:48,416 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,416 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-06 08:57:48,417 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,417 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,417 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,419 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,419 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,419 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-06 08:57:48,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-06 08:57:48,419 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-06 08:57:48,430 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,430 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,430 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-06 08:57:48,430 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,430 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,430 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,432 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,432 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,432 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-06 08:57:48,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-06 08:57:48,432 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-06 08:57:48,443 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,443 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,443 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-06 08:57:48,443 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,443 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,443 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,445 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,445 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,445 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-06 08:57:48,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-06 08:57:48,445 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-06 08:57:48,456 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,456 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,456 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-06 08:57:48,456 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,456 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,456 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,458 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,458 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,458 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-06 08:57:48,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-06 08:57:48,458 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-06 08:57:48,468 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,468 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,469 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-06 08:57:48,469 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,469 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,469 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,470 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,470 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,470 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-06 08:57:48,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-06 08:57:48,470 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-06 08:57:48,481 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,481 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,481 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-06 08:57:48,481 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,481 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,481 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,483 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,483 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,483 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-06 08:57:48,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-06 08:57:48,483 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-06 08:57:48,494 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,494 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,495 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-06 08:57:48,495 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,495 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,495 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,496 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,496 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,497 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-06 08:57:48,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-06 08:57:48,497 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-06 08:57:48,507 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,507 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,507 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-06 08:57:48,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,507 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,508 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,509 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,509 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,509 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-06 08:57:48,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-06 08:57:48,509 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-06 08:57:48,520 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,520 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,520 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-06 08:57:48,520 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 08:57:48,520 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 08:57:48,520 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 08:57:48,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,522 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,522 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,522 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-06 08:57:48,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-06 08:57:48,522 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-06 08:57:48,533 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,533 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,533 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-06 08:57:48,533 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-06 08:57:48,533 - INFO - problem_instance short name: n2_h4_0
-2024-12-06 08:57:48,533 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,533 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-06 08:57:48,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,535 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,535 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,535 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-06 08:57:48,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-06 08:57:48,535 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-06 08:57:48,546 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,546 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,546 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-06 08:57:48,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-06 08:57:48,546 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,546 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-06 08:57:48,547 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-06 08:57:48,547 - INFO - problem_instance short name: planted_solution_0010
-2024-12-06 08:57:48,547 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,547 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-06 08:57:48,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,548 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,548 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,548 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-06 08:57:48,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-06 08:57:48,548 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-06 08:57:48,559 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,559 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,560 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-06 08:57:48,560 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-06 08:57:48,560 - INFO - problem_instance short name: si_h4_0
-2024-12-06 08:57:48,560 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,560 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-06 08:57:48,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,561 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,561 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,561 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-06 08:57:48,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-06 08:57:48,561 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-06 08:57:48,572 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,572 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,572 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-06 08:57:48,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-06 08:57:48,572 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,573 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-06 08:57:48,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,574 - INFO - number of orbitals:  90
-2024-12-06 08:57:48,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:57:48,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:57:48,574 - INFO - moving on ...
-2024-12-06 08:57:48,574 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-06 08:57:48,574 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-06 08:57:48,574 - INFO - problem_instance short name: h_f_0
-2024-12-06 08:57:48,574 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,574 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-06 08:57:48,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,576 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,576 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,576 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-06 08:57:48,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-06 08:57:48,576 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-06 08:57:48,587 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,587 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,587 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-06 08:57:48,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-06 08:57:48,587 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,587 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-06 08:57:48,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,588 - INFO - number of orbitals:  85
-2024-12-06 08:57:48,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:57:48,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:57:48,589 - INFO - moving on ...
-2024-12-06 08:57:48,589 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-06 08:57:48,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,590 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,590 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,590 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-06 08:57:48,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-06 08:57:48,590 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-06 08:57:48,601 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,601 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,601 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-06 08:57:48,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-06 08:57:48,601 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,601 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-06 08:57:48,602 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-06 08:57:48,602 - INFO - problem_instance short name: planted_solution_0003
-2024-12-06 08:57:48,602 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,602 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-06 08:57:48,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,603 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,603 - INFO - number of supporting files: 1
-2024-12-06 08:57:48,603 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-06 08:57:48,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-06 08:57:48,603 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-06 08:57:48,615 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,615 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,615 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-06 08:57:48,615 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-06 08:57:48,615 - INFO - problem_instance short name: n2_0
-2024-12-06 08:57:48,615 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,615 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-06 08:57:48,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,617 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,617 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,617 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-06 08:57:48,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-06 08:57:48,617 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-06 08:57:48,628 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,628 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,628 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-06 08:57:48,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-06 08:57:48,628 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,628 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-06 08:57:48,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,630 - INFO - number of orbitals:  110
-2024-12-06 08:57:48,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:57:48,630 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:57:48,630 - INFO - moving on ...
-2024-12-06 08:57:48,630 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-06 08:57:48,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,631 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,631 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,631 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-06 08:57:48,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-06 08:57:48,631 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-06 08:57:48,643 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,643 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,643 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-06 08:57:48,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-06 08:57:48,643 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,643 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-06 08:57:48,644 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-06 08:57:48,644 - INFO - problem_instance short name: Cr_0
-2024-12-06 08:57:48,644 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,644 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-06 08:57:48,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,645 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,645 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,645 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-06 08:57:48,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-06 08:57:48,645 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-06 08:57:48,656 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,657 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,657 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-06 08:57:48,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-06 08:57:48,657 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,657 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-06 08:57:48,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,659 - INFO - number of orbitals:  88
-2024-12-06 08:57:48,659 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:57:48,659 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:57:48,659 - INFO - moving on ...
-2024-12-06 08:57:48,659 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-06 08:57:48,659 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-06 08:57:48,659 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-06 08:57:48,659 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,659 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-06 08:57:48,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,661 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,661 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,661 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-06 08:57:48,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-06 08:57:48,661 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-06 08:57:48,672 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,673 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-06 08:57:48,673 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-06 08:57:48,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-06 08:57:48,673 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 08:57:48,673 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-06 08:57:48,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,674 - INFO - number of orbitals:  116
-2024-12-06 08:57:48,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 08:57:48,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 08:57:48,674 - INFO - moving on ...
-2024-12-06 08:57:48,674 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-06 08:57:48,674 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-06 08:57:48,674 - INFO - problem_instance short name: CuO_0
-2024-12-06 08:57:48,675 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 08:57:48,675 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-06 08:57:48,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 08:57:48,676 - INFO - attempting to process the Hamiltonian...
-2024-12-06 08:57:48,676 - INFO - number of supporting files: 2
-2024-12-06 08:57:48,676 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-06 08:57:48,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-06 08:57:48,676 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-06 08:57:48,686 - INFO - number of entries in Hamiltonian_features.csv:  182
-2024-12-06 08:57:48,687 - INFO - did NOT find instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab in database.
-2024-12-06 08:57:48,687 - INFO - Processing instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab ...
-2024-12-06 08:57:48,687 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz...
-2024-12-06 08:57:48,691 - INFO - Connected (version 2.0, client 0)
-2024-12-06 08:57:49,189 - INFO - Authentication (publickey) successful!
-2024-12-06 08:57:49,205 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 08:57:58,230 - INFO - [chan 0] sftp session closed.
-2024-12-06 08:57:58,230 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 08:57:58,230 - INFO - decompressing file fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz...
-2024-12-06 08:57:59,437 - INFO - this script has been running for 46.86 hours.
-2024-12-06 08:57:59,437 - INFO - ===============================================
-2024-12-06 08:57:59,437 - INFO - calculating Hamiltonian features...
-2024-12-06 08:57:59,437 - INFO - reading data from fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab
-2024-12-06 08:58:09,748 - INFO - finished reading FCIDUMP data.
-2024-12-06 08:58:09,748 - INFO - data['NORB']: 76
-2024-12-06 08:58:09,748 - INFO - len(data['H1']): 76
-2024-12-06 08:58:09,748 - INFO - ao2mo.restore...
-2024-12-06 08:58:09,801 - INFO - done.
-2024-12-06 08:58:09,801 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 08:58:09,801 - INFO - done.
-2024-12-06 08:58:09,801 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 10:03:33,602 - INFO - done.
-2024-12-06 10:03:33,603 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 10:07:48,679 - INFO - done.
-2024-12-06 10:07:48,679 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 10:08:16,991 - INFO - done.
-2024-12-06 10:08:16,991 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 10:08:23,554 - INFO - done.
-2024-12-06 10:08:23,555 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 10:08:23,555 - INFO - done.
-2024-12-06 10:08:23,555 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 10:08:23,555 - INFO - done.
-2024-12-06 10:08:26,150 - INFO - Hamiltonian features calculation run time (seconds): 4226.713179
-2024-12-06 10:08:26,151 - INFO - wrote df_eigs to file: df_eigs.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.bin
-2024-12-06 10:08:26,151 - INFO - deleting file fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-06 10:08:26,179 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 10:08:26,198 - INFO - this script has been running for 48.03 hours.
-2024-12-06 10:08:26,198 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-06 10:08:26,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-06 10:08:26,199 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,199 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-06 10:08:26,199 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-06 10:08:26,199 - INFO - problem_instance short name: h2_o_0
-2024-12-06 10:08:26,199 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,199 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-06 10:08:26,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,201 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,201 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,201 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-06 10:08:26,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-06 10:08:26,201 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-06 10:08:26,213 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,213 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,213 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-06 10:08:26,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-06 10:08:26,213 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,213 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-06 10:08:26,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,215 - INFO - number of orbitals:  115
-2024-12-06 10:08:26,215 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 10:08:26,215 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,215 - INFO - moving on ...
-2024-12-06 10:08:26,215 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-06 10:08:26,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,216 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,216 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,216 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-06 10:08:26,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-06 10:08:26,216 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-06 10:08:26,227 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,227 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,227 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-06 10:08:26,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-06 10:08:26,227 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,227 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-06 10:08:26,228 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-06 10:08:26,228 - INFO - problem_instance short name: planted_solution_0008
-2024-12-06 10:08:26,228 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,228 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-06 10:08:26,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,229 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,229 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,229 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-06 10:08:26,229 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-06 10:08:26,229 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-06 10:08:26,240 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,240 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,240 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-06 10:08:26,240 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-06 10:08:26,240 - INFO - problem_instance short name: li_f_0
-2024-12-06 10:08:26,240 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,241 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-06 10:08:26,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,242 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,242 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,242 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-06 10:08:26,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-06 10:08:26,242 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-06 10:08:26,253 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,253 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,253 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-06 10:08:26,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-06 10:08:26,253 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,253 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-06 10:08:26,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,255 - INFO - number of orbitals:  110
-2024-12-06 10:08:26,255 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 10:08:26,255 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,255 - INFO - moving on ...
-2024-12-06 10:08:26,255 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-06 10:08:26,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,256 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,256 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,256 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-06 10:08:26,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-06 10:08:26,256 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-06 10:08:26,267 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,268 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,268 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-06 10:08:26,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-06 10:08:26,268 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,268 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-06 10:08:26,268 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-06 10:08:26,268 - INFO - problem_instance short name: s_o2_0
-2024-12-06 10:08:26,268 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,268 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-06 10:08:26,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,269 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,270 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,270 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-06 10:08:26,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-06 10:08:26,270 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-06 10:08:26,281 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,281 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,281 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-06 10:08:26,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-06 10:08:26,281 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,281 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-06 10:08:26,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,283 - INFO - number of orbitals:  94
-2024-12-06 10:08:26,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-06 10:08:26,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,283 - INFO - moving on ...
-2024-12-06 10:08:26,283 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-06 10:08:26,283 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-06 10:08:26,283 - INFO - problem_instance short name: CuO_0
-2024-12-06 10:08:26,283 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,283 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-06 10:08:26,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,284 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,284 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,284 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-06 10:08:26,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-06 10:08:26,284 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-06 10:08:26,295 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,296 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,296 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-06 10:08:26,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-06 10:08:26,296 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,296 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-06 10:08:26,296 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-06 10:08:26,296 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-06 10:08:26,296 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,296 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-06 10:08:26,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,298 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,298 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,298 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-06 10:08:26,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-06 10:08:26,298 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-06 10:08:26,309 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,310 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,310 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-06 10:08:26,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-06 10:08:26,310 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,310 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-06 10:08:26,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,311 - INFO - number of orbitals:  115
-2024-12-06 10:08:26,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,311 - INFO - moving on ...
-2024-12-06 10:08:26,311 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-06 10:08:26,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,313 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,313 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,313 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-06 10:08:26,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-06 10:08:26,313 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-06 10:08:26,324 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,324 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,324 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-06 10:08:26,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-06 10:08:26,324 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,324 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-06 10:08:26,324 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-06 10:08:26,324 - INFO - problem_instance short name: Sc_1
-2024-12-06 10:08:26,324 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,324 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-06 10:08:26,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,326 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,326 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,326 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-06 10:08:26,326 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-06 10:08:26,326 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-06 10:08:26,336 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,337 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,337 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-06 10:08:26,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-06 10:08:26,337 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,337 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-06 10:08:26,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,338 - INFO - number of orbitals:  135
-2024-12-06 10:08:26,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,338 - INFO - moving on ...
-2024-12-06 10:08:26,338 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-06 10:08:26,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,340 - INFO - number of orbitals:  88
-2024-12-06 10:08:26,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,340 - INFO - moving on ...
-2024-12-06 10:08:26,340 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-06 10:08:26,340 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-06 10:08:26,340 - INFO - problem_instance short name: c_o2_0
-2024-12-06 10:08:26,340 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,340 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-06 10:08:26,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,341 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,341 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,341 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-06 10:08:26,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-06 10:08:26,341 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-06 10:08:26,352 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,352 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,352 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-06 10:08:26,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-06 10:08:26,353 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,353 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-06 10:08:26,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,354 - INFO - number of orbitals:  90
-2024-12-06 10:08:26,354 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,354 - INFO - moving on ...
-2024-12-06 10:08:26,354 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-06 10:08:26,354 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-06 10:08:26,354 - INFO - problem_instance short name: Cu_1
-2024-12-06 10:08:26,354 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,354 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-06 10:08:26,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,356 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,356 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,356 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-06 10:08:26,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-06 10:08:26,356 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-06 10:08:26,367 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,367 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,367 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-06 10:08:26,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-06 10:08:26,367 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,367 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-06 10:08:26,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,369 - INFO - number of orbitals:  88
-2024-12-06 10:08:26,369 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,369 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,369 - INFO - moving on ...
-2024-12-06 10:08:26,369 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-06 10:08:26,369 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-06 10:08:26,369 - INFO - problem_instance short name: ozone
-2024-12-06 10:08:26,369 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,369 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-06 10:08:26,369 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,369 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,369 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,371 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,371 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,371 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-06 10:08:26,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-06 10:08:26,371 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-06 10:08:26,382 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,383 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,383 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-06 10:08:26,383 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,383 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,383 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,385 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,385 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,385 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-06 10:08:26,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-06 10:08:26,385 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-06 10:08:26,396 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,396 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,396 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-06 10:08:26,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,398 - INFO - number of orbitals:  90
-2024-12-06 10:08:26,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,398 - INFO - moving on ...
-2024-12-06 10:08:26,398 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-06 10:08:26,398 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,398 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,398 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,400 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,400 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,400 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-06 10:08:26,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-06 10:08:26,400 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-06 10:08:26,411 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,411 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,411 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-06 10:08:26,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,413 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,413 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,414 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-06 10:08:26,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-06 10:08:26,414 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-06 10:08:26,424 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,425 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,425 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-06 10:08:26,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,427 - INFO - number of orbitals:  90
-2024-12-06 10:08:26,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,427 - INFO - moving on ...
-2024-12-06 10:08:26,427 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-06 10:08:26,427 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-06 10:08:26,427 - INFO - problem_instance short name: MnO_0
-2024-12-06 10:08:26,427 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,427 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-06 10:08:26,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,428 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,428 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,428 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-06 10:08:26,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-06 10:08:26,429 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-06 10:08:26,439 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,440 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,440 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-06 10:08:26,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-06 10:08:26,440 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,440 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-06 10:08:26,440 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-06 10:08:26,440 - INFO - problem_instance short name: blue_dimer
-2024-12-06 10:08:26,440 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,440 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-06 10:08:26,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,441 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,441 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,442 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,442 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,442 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-06 10:08:26,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-06 10:08:26,443 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-06 10:08:26,453 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,454 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,454 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-06 10:08:26,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,454 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,456 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,456 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,456 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-06 10:08:26,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-06 10:08:26,456 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-06 10:08:26,466 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,467 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,467 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-06 10:08:26,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,469 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,469 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,469 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-06 10:08:26,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-06 10:08:26,469 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-06 10:08:26,479 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,480 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,480 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-06 10:08:26,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,482 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,482 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,482 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-06 10:08:26,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-06 10:08:26,482 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-06 10:08:26,493 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,493 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,493 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-06 10:08:26,493 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,493 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,493 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,495 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,495 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,495 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-06 10:08:26,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-06 10:08:26,495 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-06 10:08:26,506 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,506 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,507 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-06 10:08:26,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,507 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,507 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,509 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,509 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,509 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-06 10:08:26,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-06 10:08:26,509 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-06 10:08:26,520 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,521 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,521 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-06 10:08:26,521 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,521 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,521 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,523 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,523 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,523 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-06 10:08:26,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-06 10:08:26,523 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-06 10:08:26,534 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,534 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,534 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-06 10:08:26,534 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,535 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,537 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,537 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,537 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-06 10:08:26,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-06 10:08:26,537 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-06 10:08:26,549 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,549 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,549 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-06 10:08:26,549 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,549 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,552 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,552 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,552 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-06 10:08:26,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-06 10:08:26,552 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-06 10:08:26,563 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,563 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,563 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-06 10:08:26,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,564 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,565 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,565 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,565 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-06 10:08:26,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-06 10:08:26,565 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-06 10:08:26,576 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,577 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,577 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-06 10:08:26,577 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,577 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,577 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,579 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,579 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,579 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-06 10:08:26,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-06 10:08:26,579 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-06 10:08:26,590 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,590 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,590 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-06 10:08:26,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,592 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,592 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,592 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-06 10:08:26,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-06 10:08:26,592 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-06 10:08:26,603 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,603 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,603 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-06 10:08:26,612 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-06 10:08:26,613 - INFO - problem_instance short name: Cu_0
-2024-12-06 10:08:26,613 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,613 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-06 10:08:26,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,614 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,614 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,614 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-06 10:08:26,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-06 10:08:26,614 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-06 10:08:26,625 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,625 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,625 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-06 10:08:26,625 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-06 10:08:26,625 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,625 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-06 10:08:26,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,627 - INFO - number of orbitals:  88
-2024-12-06 10:08:26,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,627 - INFO - moving on ...
-2024-12-06 10:08:26,627 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-06 10:08:26,627 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-06 10:08:26,627 - INFO - problem_instance short name: planted_solution_0009
-2024-12-06 10:08:26,627 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,627 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-06 10:08:26,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,628 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,628 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,628 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-06 10:08:26,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-06 10:08:26,628 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-06 10:08:26,639 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,639 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,639 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-06 10:08:26,640 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-06 10:08:26,640 - INFO - problem_instance short name: n2_0
-2024-12-06 10:08:26,640 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,640 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-06 10:08:26,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,641 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,641 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,641 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-06 10:08:26,641 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-06 10:08:26,641 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-06 10:08:26,652 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,652 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,652 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-06 10:08:26,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-06 10:08:26,652 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,652 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-06 10:08:26,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,654 - INFO - number of orbitals:  110
-2024-12-06 10:08:26,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,654 - INFO - moving on ...
-2024-12-06 10:08:26,654 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-06 10:08:26,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,655 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,655 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,655 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-06 10:08:26,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-06 10:08:26,655 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-06 10:08:26,665 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,666 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,666 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-06 10:08:26,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-06 10:08:26,666 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,666 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-06 10:08:26,666 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-06 10:08:26,666 - INFO - problem_instance short name: si_o_0
-2024-12-06 10:08:26,666 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,666 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-06 10:08:26,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,667 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,667 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,667 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-06 10:08:26,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-06 10:08:26,667 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-06 10:08:26,678 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,678 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,678 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-06 10:08:26,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-06 10:08:26,678 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,678 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-06 10:08:26,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,680 - INFO - number of orbitals:  114
-2024-12-06 10:08:26,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,680 - INFO - moving on ...
-2024-12-06 10:08:26,680 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-06 10:08:26,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,681 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,681 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,681 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-06 10:08:26,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-06 10:08:26,681 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-06 10:08:26,692 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,692 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,692 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-06 10:08:26,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-06 10:08:26,692 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,692 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-06 10:08:26,693 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-06 10:08:26,693 - INFO - problem_instance short name: n_h3_0
-2024-12-06 10:08:26,693 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,693 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-06 10:08:26,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,694 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,694 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,694 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-06 10:08:26,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-06 10:08:26,694 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-06 10:08:26,705 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,705 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,705 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-06 10:08:26,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-06 10:08:26,706 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,706 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-06 10:08:26,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,707 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,707 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,707 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-06 10:08:26,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-06 10:08:26,707 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-06 10:08:26,718 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,718 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,718 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-06 10:08:26,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-06 10:08:26,719 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,719 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-06 10:08:26,719 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-06 10:08:26,719 - INFO - problem_instance short name: Sc_0
-2024-12-06 10:08:26,719 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,719 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-06 10:08:26,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,720 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,720 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,720 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-06 10:08:26,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-06 10:08:26,720 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-06 10:08:26,731 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,731 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,732 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-06 10:08:26,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-06 10:08:26,732 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,732 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-06 10:08:26,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,733 - INFO - number of orbitals:  135
-2024-12-06 10:08:26,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,733 - INFO - moving on ...
-2024-12-06 10:08:26,733 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-06 10:08:26,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,734 - INFO - number of orbitals:  88
-2024-12-06 10:08:26,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,734 - INFO - moving on ...
-2024-12-06 10:08:26,734 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-06 10:08:26,735 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-06 10:08:26,735 - INFO - problem_instance short name: Fe_1
-2024-12-06 10:08:26,735 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,735 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-06 10:08:26,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,736 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,736 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,736 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-06 10:08:26,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-06 10:08:26,736 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-06 10:08:26,747 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,748 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,748 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-06 10:08:26,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-06 10:08:26,748 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,748 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-06 10:08:26,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,749 - INFO - number of orbitals:  88
-2024-12-06 10:08:26,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,749 - INFO - moving on ...
-2024-12-06 10:08:26,749 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-06 10:08:26,749 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-06 10:08:26,750 - INFO - problem_instance short name: c2_h4_0
-2024-12-06 10:08:26,750 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,750 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-06 10:08:26,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,751 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,751 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,751 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-06 10:08:26,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-06 10:08:26,751 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-06 10:08:26,762 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,762 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,762 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-06 10:08:26,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-06 10:08:26,762 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,763 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-06 10:08:26,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,764 - INFO - number of orbitals:  116
-2024-12-06 10:08:26,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,764 - INFO - moving on ...
-2024-12-06 10:08:26,764 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-06 10:08:26,764 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-06 10:08:26,764 - INFO - problem_instance short name: fe_red
-2024-12-06 10:08:26,764 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,764 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-06 10:08:26,764 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,766 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,766 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,766 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-06 10:08:26,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-06 10:08:26,766 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-06 10:08:26,778 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,778 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,778 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-06 10:08:26,778 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,778 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,778 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,780 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,780 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,780 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-06 10:08:26,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-06 10:08:26,780 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-06 10:08:26,791 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,791 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,791 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-06 10:08:26,791 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,791 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,791 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,793 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,793 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,793 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-06 10:08:26,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-06 10:08:26,793 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-06 10:08:26,804 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,804 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,804 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-06 10:08:26,805 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,805 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,805 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,806 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,806 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,807 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-06 10:08:26,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-06 10:08:26,807 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-06 10:08:26,817 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,817 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,817 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-06 10:08:26,818 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,818 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,818 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,819 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,820 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,820 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-06 10:08:26,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-06 10:08:26,820 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-06 10:08:26,830 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,831 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,831 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-06 10:08:26,831 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,833 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,833 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,833 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-06 10:08:26,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-06 10:08:26,833 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-06 10:08:26,843 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,844 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,844 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-06 10:08:26,844 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,844 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,844 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,846 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,846 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,846 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-06 10:08:26,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-06 10:08:26,846 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-06 10:08:26,857 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,857 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,857 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-06 10:08:26,857 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,857 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,857 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,859 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,859 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,859 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-06 10:08:26,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-06 10:08:26,859 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-06 10:08:26,870 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,870 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,870 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-06 10:08:26,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:26,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:26,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:26,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,872 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,872 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,872 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-06 10:08:26,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-06 10:08:26,873 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-06 10:08:26,883 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,884 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,884 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-06 10:08:26,884 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-06 10:08:26,884 - INFO - problem_instance short name: planted_solution_0006
-2024-12-06 10:08:26,884 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,884 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-06 10:08:26,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,885 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,886 - INFO - number of supporting files: 1
-2024-12-06 10:08:26,886 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-06 10:08:26,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-06 10:08:26,886 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-06 10:08:26,896 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,897 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,897 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-06 10:08:26,897 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-06 10:08:26,897 - INFO - problem_instance short name: V_0
-2024-12-06 10:08:26,897 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,897 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-06 10:08:26,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,899 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,899 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,899 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-06 10:08:26,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-06 10:08:26,899 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-06 10:08:26,909 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,910 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,910 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-06 10:08:26,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-06 10:08:26,910 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,910 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-06 10:08:26,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,911 - INFO - number of orbitals:  88
-2024-12-06 10:08:26,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,911 - INFO - moving on ...
-2024-12-06 10:08:26,912 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-06 10:08:26,912 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-06 10:08:26,912 - INFO - problem_instance short name: p2_0
-2024-12-06 10:08:26,912 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,912 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-06 10:08:26,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,913 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,913 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,913 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-06 10:08:26,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-06 10:08:26,913 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-06 10:08:26,924 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,925 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,925 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-06 10:08:26,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-06 10:08:26,925 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,925 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-06 10:08:26,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,926 - INFO - number of orbitals:  118
-2024-12-06 10:08:26,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,926 - INFO - moving on ...
-2024-12-06 10:08:26,926 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-06 10:08:26,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,928 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,928 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,928 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-06 10:08:26,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-06 10:08:26,928 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-06 10:08:26,939 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,939 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,939 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-06 10:08:26,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-06 10:08:26,939 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,939 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-06 10:08:26,939 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-06 10:08:26,940 - INFO - problem_instance short name: h_cl_0
-2024-12-06 10:08:26,940 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,940 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-06 10:08:26,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,941 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,941 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,941 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-06 10:08:26,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-06 10:08:26,941 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-06 10:08:26,952 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,953 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,953 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-06 10:08:26,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-06 10:08:26,953 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,953 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-06 10:08:26,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,954 - INFO - number of orbitals:  89
-2024-12-06 10:08:26,954 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,954 - INFO - moving on ...
-2024-12-06 10:08:26,954 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-06 10:08:26,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,955 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,955 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,955 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-06 10:08:26,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-06 10:08:26,956 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-06 10:08:26,967 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,967 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,967 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-06 10:08:26,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-06 10:08:26,967 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,967 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-06 10:08:26,967 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-06 10:08:26,967 - INFO - problem_instance short name: CrO_0
-2024-12-06 10:08:26,967 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,967 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-06 10:08:26,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,969 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,969 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,969 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-06 10:08:26,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-06 10:08:26,969 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-06 10:08:26,980 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,980 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,980 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-06 10:08:26,980 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-06 10:08:26,980 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,980 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-06 10:08:26,981 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-06 10:08:26,981 - INFO - problem_instance short name: c2_h2_0
-2024-12-06 10:08:26,981 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,981 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-06 10:08:26,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,982 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,982 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,982 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-06 10:08:26,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-06 10:08:26,982 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-06 10:08:26,993 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:26,994 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-06 10:08:26,994 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-06 10:08:26,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-06 10:08:26,994 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:26,994 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-06 10:08:26,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,995 - INFO - number of orbitals:  88
-2024-12-06 10:08:26,995 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:26,995 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:26,995 - INFO - moving on ...
-2024-12-06 10:08:26,995 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-06 10:08:26,995 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-06 10:08:26,995 - INFO - problem_instance short name: h2_o2_0
-2024-12-06 10:08:26,995 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:26,995 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-06 10:08:26,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:26,997 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:26,997 - INFO - number of supporting files: 2
-2024-12-06 10:08:26,997 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-06 10:08:26,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-06 10:08:26,997 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-06 10:08:27,008 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,008 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,009 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-06 10:08:27,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-06 10:08:27,009 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,009 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-06 10:08:27,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,010 - INFO - number of orbitals:  88
-2024-12-06 10:08:27,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:27,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:27,010 - INFO - moving on ...
-2024-12-06 10:08:27,010 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-06 10:08:27,010 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-06 10:08:27,010 - INFO - problem_instance short name: planted_solution_0007
-2024-12-06 10:08:27,011 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,011 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-06 10:08:27,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,012 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,012 - INFO - number of supporting files: 1
-2024-12-06 10:08:27,012 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-06 10:08:27,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-06 10:08:27,012 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-06 10:08:27,023 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,023 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,023 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-06 10:08:27,024 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-06 10:08:27,024 - INFO - problem_instance short name: li_f_0
-2024-12-06 10:08:27,024 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,024 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-06 10:08:27,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,025 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,025 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,025 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-06 10:08:27,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-06 10:08:27,025 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-06 10:08:27,036 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,037 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,037 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-06 10:08:27,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-06 10:08:27,037 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,037 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-06 10:08:27,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,038 - INFO - number of orbitals:  110
-2024-12-06 10:08:27,038 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:27,038 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:27,038 - INFO - moving on ...
-2024-12-06 10:08:27,039 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-06 10:08:27,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,040 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,040 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,040 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-06 10:08:27,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-06 10:08:27,040 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-06 10:08:27,051 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,052 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,052 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-06 10:08:27,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-06 10:08:27,052 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,052 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-06 10:08:27,052 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-06 10:08:27,052 - INFO - problem_instance short name: V_1
-2024-12-06 10:08:27,052 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,052 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-06 10:08:27,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,054 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,054 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,054 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-06 10:08:27,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-06 10:08:27,054 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-06 10:08:27,065 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,065 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,065 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-06 10:08:27,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-06 10:08:27,065 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,065 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-06 10:08:27,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,067 - INFO - number of orbitals:  88
-2024-12-06 10:08:27,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:27,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:27,067 - INFO - moving on ...
-2024-12-06 10:08:27,067 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-06 10:08:27,067 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-06 10:08:27,067 - INFO - problem_instance short name: Fe_0
-2024-12-06 10:08:27,067 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,067 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-06 10:08:27,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,068 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,068 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,068 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-06 10:08:27,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-06 10:08:27,069 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-06 10:08:27,080 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,080 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,080 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-06 10:08:27,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-06 10:08:27,080 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,080 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-06 10:08:27,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,082 - INFO - number of orbitals:  88
-2024-12-06 10:08:27,082 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:27,082 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:27,082 - INFO - moving on ...
-2024-12-06 10:08:27,082 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-06 10:08:27,082 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-06 10:08:27,082 - INFO - problem_instance short name: mo_n2
-2024-12-06 10:08:27,082 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,082 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-06 10:08:27,082 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:27,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:27,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:27,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,085 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,085 - INFO - number of supporting files: 1
-2024-12-06 10:08:27,085 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-06 10:08:27,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-06 10:08:27,085 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-06 10:08:27,096 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,096 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,096 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-06 10:08:27,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:27,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:27,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:27,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,098 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,098 - INFO - number of supporting files: 1
-2024-12-06 10:08:27,098 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-06 10:08:27,099 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-06 10:08:27,099 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-06 10:08:27,110 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,110 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,110 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-06 10:08:27,110 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:27,110 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:27,111 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:27,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,112 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,112 - INFO - number of supporting files: 1
-2024-12-06 10:08:27,112 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-06 10:08:27,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-06 10:08:27,113 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-06 10:08:27,123 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,124 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,124 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-06 10:08:27,124 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 10:08:27,124 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 10:08:27,124 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 10:08:27,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,126 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,126 - INFO - number of supporting files: 1
-2024-12-06 10:08:27,126 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-06 10:08:27,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-06 10:08:27,126 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-06 10:08:27,137 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,138 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,138 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-06 10:08:27,138 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-06 10:08:27,138 - INFO - problem_instance short name: si_h4_0
-2024-12-06 10:08:27,138 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,138 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-06 10:08:27,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,140 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,140 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,140 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-06 10:08:27,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-06 10:08:27,140 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-06 10:08:27,151 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,152 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,152 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-06 10:08:27,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-06 10:08:27,152 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,152 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-06 10:08:27,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,153 - INFO - number of orbitals:  90
-2024-12-06 10:08:27,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:27,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:27,153 - INFO - moving on ...
-2024-12-06 10:08:27,153 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-06 10:08:27,154 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-06 10:08:27,154 - INFO - problem_instance short name: Ti_0
-2024-12-06 10:08:27,154 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,154 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-06 10:08:27,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,155 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,155 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,155 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-06 10:08:27,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-06 10:08:27,155 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-06 10:08:27,166 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,166 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,166 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-06 10:08:27,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-06 10:08:27,167 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,167 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-06 10:08:27,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,168 - INFO - number of orbitals:  88
-2024-12-06 10:08:27,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:27,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:27,168 - INFO - moving on ...
-2024-12-06 10:08:27,168 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-06 10:08:27,168 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-06 10:08:27,168 - INFO - problem_instance short name: h2_s_0
-2024-12-06 10:08:27,168 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,168 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-06 10:08:27,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,170 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,170 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,170 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-06 10:08:27,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-06 10:08:27,170 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-06 10:08:27,181 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,181 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,181 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-06 10:08:27,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-06 10:08:27,181 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,181 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-06 10:08:27,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,183 - INFO - number of orbitals:  119
-2024-12-06 10:08:27,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:27,183 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:27,183 - INFO - moving on ...
-2024-12-06 10:08:27,183 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-06 10:08:27,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,184 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,184 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,184 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-06 10:08:27,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-06 10:08:27,184 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-06 10:08:27,195 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,195 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,195 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-06 10:08:27,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-06 10:08:27,195 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,195 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-06 10:08:27,195 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-06 10:08:27,195 - INFO - problem_instance short name: na_cl_0
-2024-12-06 10:08:27,196 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,196 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-06 10:08:27,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,197 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,197 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,197 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-06 10:08:27,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-06 10:08:27,197 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-06 10:08:27,208 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,208 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,208 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-06 10:08:27,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-06 10:08:27,208 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,208 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-06 10:08:27,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,210 - INFO - number of orbitals:  118
-2024-12-06 10:08:27,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 10:08:27,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 10:08:27,210 - INFO - moving on ...
-2024-12-06 10:08:27,210 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-06 10:08:27,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,211 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,211 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,211 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-06 10:08:27,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-06 10:08:27,211 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-06 10:08:27,223 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,223 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,223 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-06 10:08:27,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-06 10:08:27,223 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,223 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-06 10:08:27,223 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-06 10:08:27,224 - INFO - problem_instance short name: li_h_0
-2024-12-06 10:08:27,224 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 10:08:27,224 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-06 10:08:27,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,225 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,225 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,225 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-06 10:08:27,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-06 10:08:27,225 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-06 10:08:27,236 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,236 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-06 10:08:27,236 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-06 10:08:27,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-06 10:08:27,237 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 10:08:27,237 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-06 10:08:27,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 10:08:27,238 - INFO - attempting to process the Hamiltonian...
-2024-12-06 10:08:27,238 - INFO - number of supporting files: 2
-2024-12-06 10:08:27,238 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-06 10:08:27,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-06 10:08:27,238 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-06 10:08:27,249 - INFO - number of entries in Hamiltonian_features.csv:  183
-2024-12-06 10:08:27,250 - INFO - did NOT find instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 in database.
-2024-12-06 10:08:27,250 - INFO - Processing instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 ...
-2024-12-06 10:08:27,250 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz...
-2024-12-06 10:08:27,254 - INFO - Connected (version 2.0, client 0)
-2024-12-06 10:08:27,966 - INFO - Authentication (publickey) successful!
-2024-12-06 10:08:27,989 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 10:08:40,373 - INFO - [chan 0] sftp session closed.
-2024-12-06 10:08:40,374 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 10:08:40,374 - INFO - decompressing file fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz...
-2024-12-06 10:08:41,877 - INFO - this script has been running for 48.04 hours.
-2024-12-06 10:08:41,877 - INFO - ===============================================
-2024-12-06 10:08:41,877 - INFO - calculating Hamiltonian features...
-2024-12-06 10:08:41,877 - INFO - reading data from fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1
-2024-12-06 10:08:54,111 - INFO - finished reading FCIDUMP data.
-2024-12-06 10:08:54,111 - INFO - data['NORB']: 85
-2024-12-06 10:08:54,111 - INFO - len(data['H1']): 85
-2024-12-06 10:08:54,111 - INFO - ao2mo.restore...
-2024-12-06 10:08:54,190 - INFO - done.
-2024-12-06 10:08:54,190 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 10:08:54,190 - INFO - done.
-2024-12-06 10:08:54,190 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 11:38:15,800 - INFO - done.
-2024-12-06 11:38:15,800 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 11:47:41,578 - INFO - done.
-2024-12-06 11:47:41,578 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 11:48:52,222 - INFO - done.
-2024-12-06 11:48:52,222 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 11:49:07,571 - INFO - done.
-2024-12-06 11:49:07,571 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 11:49:07,572 - INFO - done.
-2024-12-06 11:49:07,572 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 11:49:07,572 - INFO - done.
-2024-12-06 11:49:12,939 - INFO - Hamiltonian features calculation run time (seconds): 6031.062141
-2024-12-06 11:49:12,939 - INFO - wrote df_eigs to file: df_eigs.c21d87dd-9338-4498-8ed6-95b0dacd75b1.bin
-2024-12-06 11:49:12,940 - INFO - deleting file fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-06 11:49:12,973 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 11:49:12,980 - INFO - this script has been running for 49.71 hours.
-2024-12-06 11:49:12,980 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-06 11:49:12,980 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-06 11:49:12,980 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:12,980 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-06 11:49:12,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:12,982 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:12,982 - INFO - number of supporting files: 2
-2024-12-06 11:49:12,982 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-06 11:49:12,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-06 11:49:12,982 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-06 11:49:12,994 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:12,994 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-06 11:49:12,994 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-06 11:49:12,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-06 11:49:12,994 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:12,994 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-06 11:49:12,995 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-06 11:49:12,995 - INFO - problem_instance short name: p_h3_0
-2024-12-06 11:49:12,995 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:12,995 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-06 11:49:12,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:12,996 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:12,996 - INFO - number of supporting files: 2
-2024-12-06 11:49:12,996 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-06 11:49:12,996 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-06 11:49:12,996 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-06 11:49:13,008 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,008 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,008 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-06 11:49:13,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-06 11:49:13,008 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,008 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-06 11:49:13,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,009 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,010 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,010 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-06 11:49:13,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-06 11:49:13,010 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-06 11:49:13,021 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,021 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,021 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-06 11:49:13,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-06 11:49:13,021 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,021 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-06 11:49:13,022 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-06 11:49:13,022 - INFO - problem_instance short name: h_c_n_0
-2024-12-06 11:49:13,022 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,022 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-06 11:49:13,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,023 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,023 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,023 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-06 11:49:13,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-06 11:49:13,023 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-06 11:49:13,034 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,035 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,035 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-06 11:49:13,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-06 11:49:13,035 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,035 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-06 11:49:13,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,036 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,036 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,036 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-06 11:49:13,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-06 11:49:13,037 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-06 11:49:13,048 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,048 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,048 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-06 11:49:13,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-06 11:49:13,048 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,048 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-06 11:49:13,048 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-06 11:49:13,048 - INFO - problem_instance short name: na2_0
-2024-12-06 11:49:13,049 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,049 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-06 11:49:13,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,050 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,050 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,050 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-06 11:49:13,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-06 11:49:13,050 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-06 11:49:13,061 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,062 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,062 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-06 11:49:13,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-06 11:49:13,062 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,062 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-06 11:49:13,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,063 - INFO - number of orbitals:  118
-2024-12-06 11:49:13,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,063 - INFO - moving on ...
-2024-12-06 11:49:13,064 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-06 11:49:13,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,065 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,065 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,065 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-06 11:49:13,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-06 11:49:13,065 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-06 11:49:13,076 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,076 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,076 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-06 11:49:13,077 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-06 11:49:13,077 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,077 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-06 11:49:13,077 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-06 11:49:13,077 - INFO - problem_instance short name: c_h4_0
-2024-12-06 11:49:13,077 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,077 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-06 11:49:13,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,078 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,078 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,078 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-06 11:49:13,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-06 11:49:13,078 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-06 11:49:13,090 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,090 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,090 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-06 11:49:13,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-06 11:49:13,090 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,090 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-06 11:49:13,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,092 - INFO - number of orbitals:  86
-2024-12-06 11:49:13,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,092 - INFO - moving on ...
-2024-12-06 11:49:13,092 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-06 11:49:13,092 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-06 11:49:13,092 - INFO - problem_instance short name: planted_solution_0003
-2024-12-06 11:49:13,092 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,092 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-06 11:49:13,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,093 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,093 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,093 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-06 11:49:13,093 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-06 11:49:13,093 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-06 11:49:13,105 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,105 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,105 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-06 11:49:13,105 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-06 11:49:13,105 - INFO - problem_instance short name: c2_h6_0
-2024-12-06 11:49:13,105 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,105 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-06 11:49:13,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,107 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,107 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,107 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-06 11:49:13,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-06 11:49:13,107 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-06 11:49:13,118 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,119 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,119 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-06 11:49:13,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-06 11:49:13,119 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,119 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-06 11:49:13,119 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-06 11:49:13,119 - INFO - problem_instance short name: ScO_0
-2024-12-06 11:49:13,119 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,119 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-06 11:49:13,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,120 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,121 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,121 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-06 11:49:13,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-06 11:49:13,121 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-06 11:49:13,132 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,132 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,132 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-06 11:49:13,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-06 11:49:13,132 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,132 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-06 11:49:13,132 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-06 11:49:13,132 - INFO - problem_instance short name: planted_solution_0010
-2024-12-06 11:49:13,132 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,133 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-06 11:49:13,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,134 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,134 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,134 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-06 11:49:13,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-06 11:49:13,134 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-06 11:49:13,145 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,146 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,146 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-06 11:49:13,146 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-06 11:49:13,146 - INFO - problem_instance short name: Cr_1
-2024-12-06 11:49:13,146 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,146 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-06 11:49:13,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,147 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,148 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,148 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-06 11:49:13,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-06 11:49:13,148 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-06 11:49:13,159 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,159 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,159 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-06 11:49:13,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-06 11:49:13,160 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,160 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-06 11:49:13,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,161 - INFO - number of orbitals:  135
-2024-12-06 11:49:13,161 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,161 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,161 - INFO - moving on ...
-2024-12-06 11:49:13,161 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-06 11:49:13,162 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,163 - INFO - number of orbitals:  88
-2024-12-06 11:49:13,163 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,163 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,163 - INFO - moving on ...
-2024-12-06 11:49:13,163 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-06 11:49:13,163 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-06 11:49:13,163 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-06 11:49:13,163 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,163 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-06 11:49:13,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,164 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,165 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,165 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-06 11:49:13,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-06 11:49:13,165 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-06 11:49:13,176 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,176 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,176 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-06 11:49:13,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-06 11:49:13,177 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,177 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-06 11:49:13,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,178 - INFO - number of orbitals:  116
-2024-12-06 11:49:13,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,178 - INFO - moving on ...
-2024-12-06 11:49:13,178 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-06 11:49:13,178 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-06 11:49:13,178 - INFO - problem_instance short name: planted_solution_0004
-2024-12-06 11:49:13,178 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,178 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-06 11:49:13,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,180 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,180 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,180 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-06 11:49:13,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-06 11:49:13,180 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-06 11:49:13,191 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,191 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,191 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-06 11:49:13,192 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-06 11:49:13,192 - INFO - problem_instance short name: h2_c_o_0
-2024-12-06 11:49:13,192 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,192 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-06 11:49:13,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,193 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,193 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,193 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-06 11:49:13,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-06 11:49:13,193 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-06 11:49:13,204 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,205 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,205 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-06 11:49:13,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-06 11:49:13,205 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,205 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-06 11:49:13,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,206 - INFO - number of orbitals:  88
-2024-12-06 11:49:13,206 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,206 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,206 - INFO - moving on ...
-2024-12-06 11:49:13,206 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-06 11:49:13,207 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-06 11:49:13,207 - INFO - problem_instance short name: planted_solution_0002
-2024-12-06 11:49:13,207 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,207 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-06 11:49:13,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,208 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,208 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,208 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-06 11:49:13,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-06 11:49:13,208 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-06 11:49:13,219 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,219 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,220 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-06 11:49:13,220 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-06 11:49:13,220 - INFO - problem_instance short name: h_o_cl_0
-2024-12-06 11:49:13,220 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,220 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-06 11:49:13,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,221 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,221 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,221 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-06 11:49:13,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-06 11:49:13,221 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-06 11:49:13,233 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,233 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,233 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-06 11:49:13,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-06 11:49:13,233 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,233 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-06 11:49:13,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,234 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,235 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,235 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-06 11:49:13,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-06 11:49:13,235 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-06 11:49:13,246 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,246 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,246 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-06 11:49:13,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-06 11:49:13,246 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,247 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-06 11:49:13,247 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-06 11:49:13,247 - INFO - problem_instance short name: c_s_0
-2024-12-06 11:49:13,247 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,247 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-06 11:49:13,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,248 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,248 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,248 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-06 11:49:13,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-06 11:49:13,248 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-06 11:49:13,260 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,260 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,260 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-06 11:49:13,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-06 11:49:13,260 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,260 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-06 11:49:13,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,262 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,262 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,262 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-06 11:49:13,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-06 11:49:13,262 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-06 11:49:13,273 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,273 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,273 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-06 11:49:13,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-06 11:49:13,274 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,274 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-06 11:49:13,274 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-06 11:49:13,274 - INFO - problem_instance short name: cl2_0
-2024-12-06 11:49:13,274 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,274 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-06 11:49:13,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,275 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,275 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,275 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-06 11:49:13,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-06 11:49:13,276 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-06 11:49:13,287 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,287 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,287 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-06 11:49:13,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-06 11:49:13,287 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,287 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-06 11:49:13,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,289 - INFO - number of orbitals:  118
-2024-12-06 11:49:13,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,289 - INFO - moving on ...
-2024-12-06 11:49:13,289 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-06 11:49:13,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,290 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,290 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,290 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-06 11:49:13,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-06 11:49:13,290 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-06 11:49:13,302 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,302 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,302 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-06 11:49:13,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-06 11:49:13,302 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,302 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-06 11:49:13,303 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-06 11:49:13,303 - INFO - problem_instance short name: h2_o_0
-2024-12-06 11:49:13,303 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,303 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-06 11:49:13,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,304 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,304 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,304 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-06 11:49:13,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-06 11:49:13,304 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-06 11:49:13,316 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,316 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,316 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-06 11:49:13,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-06 11:49:13,316 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,316 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-06 11:49:13,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,318 - INFO - number of orbitals:  115
-2024-12-06 11:49:13,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,318 - INFO - moving on ...
-2024-12-06 11:49:13,318 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-06 11:49:13,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,319 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,319 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,319 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-06 11:49:13,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-06 11:49:13,319 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-06 11:49:13,331 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,331 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,331 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-06 11:49:13,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-06 11:49:13,331 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,331 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-06 11:49:13,331 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-06 11:49:13,332 - INFO - problem_instance short name: li2_0
-2024-12-06 11:49:13,332 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,332 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-06 11:49:13,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,333 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,333 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,333 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-06 11:49:13,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-06 11:49:13,333 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-06 11:49:13,344 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,345 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,345 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-06 11:49:13,345 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-06 11:49:13,345 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,345 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-06 11:49:13,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,347 - INFO - number of orbitals:  110
-2024-12-06 11:49:13,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,347 - INFO - moving on ...
-2024-12-06 11:49:13,347 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-06 11:49:13,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,348 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,348 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,348 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-06 11:49:13,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-06 11:49:13,348 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-06 11:49:13,360 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,360 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,360 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-06 11:49:13,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-06 11:49:13,360 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,360 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-06 11:49:13,360 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-06 11:49:13,360 - INFO - problem_instance short name: ru_mono
-2024-12-06 11:49:13,360 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,360 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-06 11:49:13,361 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,361 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,361 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,363 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,363 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,363 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-06 11:49:13,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-06 11:49:13,363 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-06 11:49:13,374 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,374 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,374 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-06 11:49:13,374 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,375 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,375 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,376 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,377 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,377 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-06 11:49:13,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-06 11:49:13,377 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-06 11:49:13,388 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,388 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,388 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-06 11:49:13,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,390 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,390 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,390 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-06 11:49:13,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-06 11:49:13,391 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-06 11:49:13,402 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,402 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,402 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-06 11:49:13,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,404 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,404 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,404 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-06 11:49:13,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-06 11:49:13,404 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-06 11:49:13,415 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,416 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,416 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-06 11:49:13,416 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,416 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,416 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,418 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,418 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,418 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-06 11:49:13,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-06 11:49:13,418 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-06 11:49:13,429 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,430 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,430 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-06 11:49:13,430 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,430 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,430 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,432 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,432 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,432 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-06 11:49:13,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-06 11:49:13,432 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-06 11:49:13,443 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,443 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,443 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-06 11:49:13,443 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-06 11:49:13,443 - INFO - problem_instance short name: TiO_0
-2024-12-06 11:49:13,444 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,444 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-06 11:49:13,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,445 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,445 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,445 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-06 11:49:13,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-06 11:49:13,445 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-06 11:49:13,456 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,457 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,457 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-06 11:49:13,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-06 11:49:13,457 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,457 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-06 11:49:13,457 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-06 11:49:13,457 - INFO - problem_instance short name: si2_h6_0
-2024-12-06 11:49:13,457 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,457 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-06 11:49:13,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,458 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,458 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,458 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-06 11:49:13,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-06 11:49:13,459 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-06 11:49:13,470 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,470 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,470 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-06 11:49:13,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-06 11:49:13,470 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,470 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-06 11:49:13,470 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-06 11:49:13,470 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-06 11:49:13,471 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,471 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-06 11:49:13,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,472 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,472 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,472 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-06 11:49:13,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-06 11:49:13,472 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-06 11:49:13,483 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,484 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,484 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-06 11:49:13,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-06 11:49:13,484 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,484 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-06 11:49:13,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,485 - INFO - number of orbitals:  119
-2024-12-06 11:49:13,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,485 - INFO - moving on ...
-2024-12-06 11:49:13,485 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-06 11:49:13,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,487 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,487 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,487 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-06 11:49:13,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-06 11:49:13,487 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-06 11:49:13,498 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,499 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,499 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-06 11:49:13,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-06 11:49:13,499 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,499 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-06 11:49:13,499 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-06 11:49:13,499 - INFO - problem_instance short name: f2_0
-2024-12-06 11:49:13,499 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,499 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-06 11:49:13,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,500 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,501 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,501 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-06 11:49:13,501 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-06 11:49:13,501 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-06 11:49:13,512 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,512 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,512 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-06 11:49:13,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-06 11:49:13,512 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,512 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-06 11:49:13,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,514 - INFO - number of orbitals:  110
-2024-12-06 11:49:13,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:13,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:13,514 - INFO - moving on ...
-2024-12-06 11:49:13,514 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-06 11:49:13,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,515 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,515 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,515 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-06 11:49:13,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-06 11:49:13,515 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-06 11:49:13,527 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,527 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,527 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-06 11:49:13,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-06 11:49:13,527 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,527 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-06 11:49:13,528 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-06 11:49:13,528 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-06 11:49:13,528 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,528 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-06 11:49:13,528 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,528 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,528 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,530 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,530 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,530 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-06 11:49:13,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-06 11:49:13,530 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-06 11:49:13,542 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,542 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,542 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-06 11:49:13,542 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,542 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,542 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,544 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,544 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,544 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-06 11:49:13,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-06 11:49:13,544 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-06 11:49:13,556 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,556 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,556 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-06 11:49:13,556 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,558 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,559 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,559 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-06 11:49:13,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-06 11:49:13,559 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-06 11:49:13,570 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,570 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,570 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-06 11:49:13,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,572 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,572 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,572 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-06 11:49:13,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-06 11:49:13,572 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-06 11:49:13,583 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,584 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,584 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-06 11:49:13,584 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,584 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,584 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,586 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,586 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,586 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-06 11:49:13,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-06 11:49:13,587 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-06 11:49:13,598 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,599 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,599 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-06 11:49:13,599 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,599 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,599 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,601 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,601 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,601 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-06 11:49:13,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-06 11:49:13,601 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-06 11:49:13,613 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,613 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,613 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-06 11:49:13,613 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,614 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,614 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,616 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,616 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,616 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-06 11:49:13,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-06 11:49:13,616 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-06 11:49:13,627 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,627 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,628 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-06 11:49:13,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,630 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,630 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,630 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-06 11:49:13,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-06 11:49:13,630 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-06 11:49:13,641 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,641 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,642 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-06 11:49:13,642 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,642 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,642 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,644 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,644 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,644 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-06 11:49:13,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-06 11:49:13,644 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-06 11:49:13,655 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,655 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,655 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-06 11:49:13,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,658 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,658 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,658 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-06 11:49:13,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-06 11:49:13,658 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-06 11:49:13,669 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,669 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,670 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-06 11:49:13,670 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,670 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,670 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,672 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,672 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,672 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-06 11:49:13,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-06 11:49:13,672 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-06 11:49:13,683 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,684 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,684 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-06 11:49:13,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,686 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,686 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,686 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-06 11:49:13,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-06 11:49:13,686 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-06 11:49:13,697 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,698 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,698 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-06 11:49:13,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,700 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,700 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,700 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-06 11:49:13,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-06 11:49:13,700 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-06 11:49:13,711 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,711 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,711 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-06 11:49:13,711 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,713 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,714 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,714 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-06 11:49:13,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-06 11:49:13,714 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-06 11:49:13,725 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,725 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,725 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-06 11:49:13,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,726 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,727 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,727 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,727 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-06 11:49:13,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-06 11:49:13,728 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-06 11:49:13,739 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,739 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,739 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-06 11:49:13,739 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,739 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,739 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,741 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,741 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,741 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-06 11:49:13,741 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-06 11:49:13,741 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-06 11:49:13,752 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,752 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,752 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-06 11:49:13,752 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-06 11:49:13,752 - INFO - problem_instance short name: planted_solution_0001
-2024-12-06 11:49:13,752 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,752 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-06 11:49:13,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,754 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,754 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,754 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-06 11:49:13,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-06 11:49:13,754 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-06 11:49:13,765 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,765 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,765 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-06 11:49:13,766 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-06 11:49:13,766 - INFO - problem_instance short name: ru_macho
-2024-12-06 11:49:13,766 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,766 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-06 11:49:13,766 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,766 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,766 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,768 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,768 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,768 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-06 11:49:13,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-06 11:49:13,768 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-06 11:49:13,779 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,779 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,779 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-06 11:49:13,780 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,780 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,780 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,781 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,782 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,782 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-06 11:49:13,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-06 11:49:13,782 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-06 11:49:13,793 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,793 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,793 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-06 11:49:13,793 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,794 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,794 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,796 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,796 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,796 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-06 11:49:13,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-06 11:49:13,796 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-06 11:49:13,807 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,808 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,808 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-06 11:49:13,808 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,808 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,808 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,810 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,810 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,810 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-06 11:49:13,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-06 11:49:13,810 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-06 11:49:13,820 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,821 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,821 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-06 11:49:13,821 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,823 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,823 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,823 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-06 11:49:13,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-06 11:49:13,823 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-06 11:49:13,834 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,835 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,835 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-06 11:49:13,835 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,835 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,835 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,837 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,837 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,837 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-06 11:49:13,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-06 11:49:13,837 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-06 11:49:13,848 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,849 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,849 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-06 11:49:13,849 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,849 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,849 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,851 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,851 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,851 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-06 11:49:13,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-06 11:49:13,851 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-06 11:49:13,862 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,863 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,863 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-06 11:49:13,863 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,863 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,863 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,865 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,865 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,865 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-06 11:49:13,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-06 11:49:13,865 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-06 11:49:13,876 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,877 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,877 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-06 11:49:13,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:13,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:13,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:13,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,879 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,879 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,879 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-06 11:49:13,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-06 11:49:13,879 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-06 11:49:13,890 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,891 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,891 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-06 11:49:13,891 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-06 11:49:13,891 - INFO - problem_instance short name: be_0
-2024-12-06 11:49:13,891 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,891 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-06 11:49:13,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,892 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,892 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,892 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-06 11:49:13,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-06 11:49:13,892 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-06 11:49:13,903 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,904 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,904 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-06 11:49:13,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-06 11:49:13,904 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,904 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-06 11:49:13,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,905 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,905 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,905 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-06 11:49:13,905 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-06 11:49:13,906 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-06 11:49:13,916 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,916 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,916 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-06 11:49:13,916 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-06 11:49:13,916 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,916 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-06 11:49:13,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,918 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,918 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,918 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-06 11:49:13,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-06 11:49:13,918 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-06 11:49:13,929 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,930 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,930 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-06 11:49:13,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-06 11:49:13,930 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,930 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-06 11:49:13,930 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-06 11:49:13,930 - INFO - problem_instance short name: planted_solution_0011
-2024-12-06 11:49:13,930 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,930 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-06 11:49:13,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,932 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,932 - INFO - number of supporting files: 1
-2024-12-06 11:49:13,932 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-06 11:49:13,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-06 11:49:13,932 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-06 11:49:13,944 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,945 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,945 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-06 11:49:13,945 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-06 11:49:13,945 - INFO - problem_instance short name: O_1
-2024-12-06 11:49:13,945 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,945 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-06 11:49:13,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,947 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,947 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,947 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-06 11:49:13,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-06 11:49:13,947 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-06 11:49:13,958 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,958 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,959 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-06 11:49:13,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-06 11:49:13,959 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,959 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-06 11:49:13,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,960 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,960 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,960 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-06 11:49:13,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-06 11:49:13,960 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-06 11:49:13,971 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,972 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,972 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-06 11:49:13,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-06 11:49:13,972 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,972 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-06 11:49:13,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,973 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,974 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,974 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-06 11:49:13,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-06 11:49:13,974 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-06 11:49:13,985 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,985 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,985 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-06 11:49:13,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-06 11:49:13,985 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,985 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-06 11:49:13,985 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-06 11:49:13,985 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-06 11:49:13,985 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:13,985 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-06 11:49:13,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:13,987 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:13,987 - INFO - number of supporting files: 2
-2024-12-06 11:49:13,987 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-06 11:49:13,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-06 11:49:13,987 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-06 11:49:13,998 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:13,999 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-06 11:49:13,999 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-06 11:49:13,999 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-06 11:49:13,999 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:13,999 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-06 11:49:14,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,000 - INFO - number of orbitals:  106
-2024-12-06 11:49:14,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:14,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:14,000 - INFO - moving on ...
-2024-12-06 11:49:14,000 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-06 11:49:14,000 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-06 11:49:14,001 - INFO - problem_instance short name: benzene
-2024-12-06 11:49:14,001 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:14,001 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-06 11:49:14,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,002 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,003 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,003 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-06 11:49:14,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-06 11:49:14,003 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-06 11:49:14,014 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,014 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,014 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-06 11:49:14,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,015 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,015 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,016 - INFO - number of orbitals:  108
-2024-12-06 11:49:14,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:14,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:14,016 - INFO - moving on ...
-2024-12-06 11:49:14,016 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-06 11:49:14,017 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-06 11:49:14,017 - INFO - problem_instance short name: cr_dimer
-2024-12-06 11:49:14,017 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-06 11:49:14,017 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-06 11:49:14,017 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,017 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,017 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,018 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,019 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,019 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-06 11:49:14,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-06 11:49:14,019 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-06 11:49:14,030 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,030 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,030 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-06 11:49:14,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,032 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,032 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,032 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-06 11:49:14,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-06 11:49:14,032 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-06 11:49:14,043 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,044 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,044 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-06 11:49:14,044 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,044 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,046 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,046 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,046 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-06 11:49:14,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-06 11:49:14,046 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-06 11:49:14,058 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,058 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,058 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-06 11:49:14,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,059 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,061 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,061 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,061 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-06 11:49:14,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-06 11:49:14,061 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-06 11:49:14,072 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,073 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,073 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-06 11:49:14,073 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,073 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,073 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,074 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,075 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,075 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,075 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-06 11:49:14,075 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-06 11:49:14,075 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-06 11:49:14,086 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,087 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,087 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-06 11:49:14,087 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,087 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,087 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,089 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,089 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,089 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-06 11:49:14,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-06 11:49:14,089 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-06 11:49:14,100 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,101 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,101 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-06 11:49:14,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,103 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,103 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,103 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-06 11:49:14,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-06 11:49:14,103 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-06 11:49:14,114 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,115 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,115 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-06 11:49:14,115 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,115 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,115 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,117 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,117 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,117 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-06 11:49:14,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-06 11:49:14,117 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-06 11:49:14,128 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,129 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,129 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-06 11:49:14,129 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,129 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,129 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,131 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,131 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,131 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-06 11:49:14,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-06 11:49:14,131 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-06 11:49:14,142 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,143 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,143 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-06 11:49:14,143 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,143 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,143 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,145 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,145 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,145 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-06 11:49:14,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-06 11:49:14,145 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-06 11:49:14,156 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,157 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,157 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-06 11:49:14,157 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,157 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,157 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,159 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,159 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,159 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-06 11:49:14,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-06 11:49:14,159 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-06 11:49:14,170 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,171 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,171 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-06 11:49:14,171 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 11:49:14,171 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 11:49:14,171 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 11:49:14,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,173 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,173 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,173 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-06 11:49:14,173 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-06 11:49:14,173 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-06 11:49:14,184 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,184 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,185 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-06 11:49:14,185 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-06 11:49:14,185 - INFO - problem_instance short name: planted_solution_0005
-2024-12-06 11:49:14,185 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:14,185 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-06 11:49:14,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,186 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,186 - INFO - number of supporting files: 1
-2024-12-06 11:49:14,186 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-06 11:49:14,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-06 11:49:14,186 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-06 11:49:14,197 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,198 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,198 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-06 11:49:14,198 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-06 11:49:14,198 - INFO - problem_instance short name: Mn_0
-2024-12-06 11:49:14,198 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 11:49:14,198 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-06 11:49:14,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,199 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,199 - INFO - number of supporting files: 2
-2024-12-06 11:49:14,199 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-06 11:49:14,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-06 11:49:14,200 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-06 11:49:14,211 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,211 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,211 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-06 11:49:14,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-06 11:49:14,211 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:14,211 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-06 11:49:14,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,213 - INFO - number of orbitals:  88
-2024-12-06 11:49:14,213 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 11:49:14,213 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 11:49:14,213 - INFO - moving on ...
-2024-12-06 11:49:14,213 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-06 11:49:14,213 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-06 11:49:14,213 - INFO - problem_instance short name: VO_0
-2024-12-06 11:49:14,213 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 11:49:14,213 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-06 11:49:14,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,214 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,214 - INFO - number of supporting files: 2
-2024-12-06 11:49:14,215 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-06 11:49:14,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-06 11:49:14,215 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-06 11:49:14,226 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,226 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,226 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-06 11:49:14,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-06 11:49:14,226 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:14,226 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-06 11:49:14,227 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-06 11:49:14,227 - INFO - problem_instance short name: h_f_0
-2024-12-06 11:49:14,227 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 11:49:14,227 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-06 11:49:14,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,228 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,228 - INFO - number of supporting files: 2
-2024-12-06 11:49:14,228 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-06 11:49:14,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-06 11:49:14,228 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-06 11:49:14,239 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,240 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-06 11:49:14,240 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-06 11:49:14,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-06 11:49:14,240 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 11:49:14,240 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-06 11:49:14,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 11:49:14,241 - INFO - attempting to process the Hamiltonian...
-2024-12-06 11:49:14,241 - INFO - number of supporting files: 2
-2024-12-06 11:49:14,241 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-06 11:49:14,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-06 11:49:14,242 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-06 11:49:14,253 - INFO - number of entries in Hamiltonian_features.csv:  184
-2024-12-06 11:49:14,253 - INFO - did NOT find instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc in database.
-2024-12-06 11:49:14,253 - INFO - Processing instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc ...
-2024-12-06 11:49:14,253 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz...
-2024-12-06 11:49:14,257 - INFO - Connected (version 2.0, client 0)
-2024-12-06 11:49:14,815 - INFO - Authentication (publickey) successful!
-2024-12-06 11:49:14,843 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 11:49:34,506 - INFO - [chan 0] sftp session closed.
-2024-12-06 11:49:34,507 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 11:49:34,507 - INFO - decompressing file fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz...
-2024-12-06 11:49:36,031 - INFO - this script has been running for 49.72 hours.
-2024-12-06 11:49:36,032 - INFO - ===============================================
-2024-12-06 11:49:36,032 - INFO - calculating Hamiltonian features...
-2024-12-06 11:49:36,032 - INFO - reading data from fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc
-2024-12-06 11:49:49,187 - INFO - finished reading FCIDUMP data.
-2024-12-06 11:49:49,188 - INFO - data['NORB']: 85
-2024-12-06 11:49:49,188 - INFO - len(data['H1']): 85
-2024-12-06 11:49:49,188 - INFO - ao2mo.restore...
-2024-12-06 11:49:49,300 - INFO - done.
-2024-12-06 11:49:49,300 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 11:49:49,300 - INFO - done.
-2024-12-06 11:49:49,300 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 13:20:32,644 - INFO - done.
-2024-12-06 13:20:32,644 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 13:30:07,697 - INFO - done.
-2024-12-06 13:30:07,697 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 13:31:09,244 - INFO - done.
-2024-12-06 13:31:09,245 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 13:31:25,056 - INFO - done.
-2024-12-06 13:31:25,056 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 13:31:25,057 - INFO - done.
-2024-12-06 13:31:25,057 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 13:31:25,057 - INFO - done.
-2024-12-06 13:31:30,355 - INFO - Hamiltonian features calculation run time (seconds): 6114.323781
-2024-12-06 13:31:30,356 - INFO - wrote df_eigs to file: df_eigs.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.bin
-2024-12-06 13:31:30,356 - INFO - deleting file fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-06 13:31:30,393 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 13:31:30,401 - INFO - this script has been running for 51.42 hours.
-2024-12-06 13:31:30,401 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-06 13:31:30,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-06 13:31:30,401 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,401 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-06 13:31:30,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,403 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,403 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,403 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-06 13:31:30,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-06 13:31:30,403 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-06 13:31:30,414 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,414 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,414 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-06 13:31:30,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-06 13:31:30,415 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,415 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-06 13:31:30,415 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-06 13:31:30,415 - INFO - problem_instance short name: Ti_1
-2024-12-06 13:31:30,415 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,415 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-06 13:31:30,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,416 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,416 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,416 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-06 13:31:30,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-06 13:31:30,416 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-06 13:31:30,428 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,428 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,428 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-06 13:31:30,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-06 13:31:30,428 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,428 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-06 13:31:30,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,430 - INFO - number of orbitals:  88
-2024-12-06 13:31:30,430 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 13:31:30,430 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 13:31:30,430 - INFO - moving on ...
-2024-12-06 13:31:30,430 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-06 13:31:30,430 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-06 13:31:30,430 - INFO - problem_instance short name: n2_h4_0
-2024-12-06 13:31:30,430 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,430 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-06 13:31:30,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,432 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,432 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,432 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-06 13:31:30,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-06 13:31:30,432 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-06 13:31:30,444 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,444 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,444 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-06 13:31:30,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-06 13:31:30,444 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,444 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-06 13:31:30,444 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-06 13:31:30,444 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-06 13:31:30,444 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,444 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-06 13:31:30,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,446 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,446 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,446 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-06 13:31:30,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-06 13:31:30,446 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-06 13:31:30,457 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,457 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,457 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-06 13:31:30,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-06 13:31:30,458 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,458 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-06 13:31:30,458 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-06 13:31:30,458 - INFO - problem_instance short name: O_0
-2024-12-06 13:31:30,458 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,458 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-06 13:31:30,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,459 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,459 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,459 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-06 13:31:30,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-06 13:31:30,460 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-06 13:31:30,471 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,471 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,471 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-06 13:31:30,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-06 13:31:30,471 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,471 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-06 13:31:30,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,473 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,473 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,473 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-06 13:31:30,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-06 13:31:30,473 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-06 13:31:30,484 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,484 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,484 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-06 13:31:30,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-06 13:31:30,485 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,485 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-06 13:31:30,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,486 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,486 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,486 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-06 13:31:30,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-06 13:31:30,486 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-06 13:31:30,498 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,498 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,498 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-06 13:31:30,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-06 13:31:30,498 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,498 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-06 13:31:30,498 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-06 13:31:30,499 - INFO - problem_instance short name: planted_solution_0008
-2024-12-06 13:31:30,499 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,499 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-06 13:31:30,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,500 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,500 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,500 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-06 13:31:30,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-06 13:31:30,500 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-06 13:31:30,512 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,512 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,512 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-06 13:31:30,512 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-06 13:31:30,512 - INFO - problem_instance short name: s_o2_0
-2024-12-06 13:31:30,512 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,513 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-06 13:31:30,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,514 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,514 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,514 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-06 13:31:30,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-06 13:31:30,514 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-06 13:31:30,526 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,526 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,526 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-06 13:31:30,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-06 13:31:30,526 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,526 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-06 13:31:30,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,528 - INFO - number of orbitals:  94
-2024-12-06 13:31:30,528 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 13:31:30,528 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 13:31:30,528 - INFO - moving on ...
-2024-12-06 13:31:30,528 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-06 13:31:30,528 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-06 13:31:30,528 - INFO - problem_instance short name: c_o_0
-2024-12-06 13:31:30,528 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,528 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-06 13:31:30,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,529 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,529 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,529 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-06 13:31:30,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-06 13:31:30,529 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-06 13:31:30,541 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,542 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,542 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-06 13:31:30,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-06 13:31:30,542 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,542 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-06 13:31:30,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,543 - INFO - number of orbitals:  110
-2024-12-06 13:31:30,543 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 13:31:30,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 13:31:30,543 - INFO - moving on ...
-2024-12-06 13:31:30,544 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-06 13:31:30,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,545 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,545 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,545 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-06 13:31:30,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-06 13:31:30,545 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-06 13:31:30,556 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,557 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,557 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-06 13:31:30,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-06 13:31:30,557 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,557 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-06 13:31:30,557 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-06 13:31:30,557 - INFO - problem_instance short name: Cr_0
-2024-12-06 13:31:30,557 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,557 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-06 13:31:30,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,559 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,559 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,559 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-06 13:31:30,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-06 13:31:30,559 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-06 13:31:30,570 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,571 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,571 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-06 13:31:30,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-06 13:31:30,571 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,571 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-06 13:31:30,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,572 - INFO - number of orbitals:  88
-2024-12-06 13:31:30,573 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 13:31:30,573 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 13:31:30,573 - INFO - moving on ...
-2024-12-06 13:31:30,573 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-06 13:31:30,573 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-06 13:31:30,573 - INFO - problem_instance short name: mn_mono
-2024-12-06 13:31:30,573 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,573 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-06 13:31:30,573 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,573 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,573 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,575 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,575 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,575 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-06 13:31:30,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-06 13:31:30,575 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-06 13:31:30,587 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,587 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,587 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-06 13:31:30,587 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,587 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,587 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,589 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,589 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,589 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-06 13:31:30,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-06 13:31:30,589 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-06 13:31:30,601 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,601 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,601 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-06 13:31:30,601 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,601 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,602 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,604 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,604 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,604 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-06 13:31:30,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-06 13:31:30,604 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-06 13:31:30,615 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,616 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,616 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-06 13:31:30,616 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,616 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,616 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,618 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,618 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,618 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-06 13:31:30,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-06 13:31:30,618 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-06 13:31:30,629 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,629 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,630 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-06 13:31:30,630 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,630 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,632 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,632 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,632 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-06 13:31:30,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-06 13:31:30,632 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-06 13:31:30,643 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,643 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,644 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-06 13:31:30,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,644 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,646 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,646 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,646 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-06 13:31:30,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-06 13:31:30,646 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-06 13:31:30,657 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,658 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,658 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-06 13:31:30,658 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,658 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,658 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,660 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,660 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,660 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-06 13:31:30,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-06 13:31:30,660 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-06 13:31:30,671 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,672 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,672 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-06 13:31:30,672 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,672 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,672 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,674 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,674 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,674 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-06 13:31:30,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-06 13:31:30,674 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-06 13:31:30,686 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,686 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,686 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-06 13:31:30,686 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-06 13:31:30,686 - INFO - problem_instance short name: FeO_0
-2024-12-06 13:31:30,686 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,686 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-06 13:31:30,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,688 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,688 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,688 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-06 13:31:30,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-06 13:31:30,688 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-06 13:31:30,699 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,700 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,700 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-06 13:31:30,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-06 13:31:30,700 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,700 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-06 13:31:30,700 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-06 13:31:30,700 - INFO - problem_instance short name: mo2_n2
-2024-12-06 13:31:30,700 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,700 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-06 13:31:30,700 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,701 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,701 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,702 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,703 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,703 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-06 13:31:30,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-06 13:31:30,703 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-06 13:31:30,714 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,714 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,714 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-06 13:31:30,714 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,714 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,717 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,717 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,717 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-06 13:31:30,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-06 13:31:30,717 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-06 13:31:30,728 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,729 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,729 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-06 13:31:30,729 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 13:31:30,729 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 13:31:30,729 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 13:31:30,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,731 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,731 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,731 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-06 13:31:30,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-06 13:31:30,731 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-06 13:31:30,743 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,743 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,743 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-06 13:31:30,743 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-06 13:31:30,743 - INFO - problem_instance short name: Mn_1
-2024-12-06 13:31:30,743 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,743 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-06 13:31:30,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,745 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,745 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,745 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-06 13:31:30,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-06 13:31:30,745 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-06 13:31:30,756 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,757 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,757 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-06 13:31:30,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-06 13:31:30,757 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,757 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-06 13:31:30,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,759 - INFO - number of orbitals:  88
-2024-12-06 13:31:30,759 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-06 13:31:30,759 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 13:31:30,759 - INFO - moving on ...
-2024-12-06 13:31:30,759 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-06 13:31:30,759 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-06 13:31:30,759 - INFO - problem_instance short name: planted_solution_0005
-2024-12-06 13:31:30,759 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,759 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-06 13:31:30,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,760 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,760 - INFO - number of supporting files: 1
-2024-12-06 13:31:30,760 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-06 13:31:30,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-06 13:31:30,761 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-06 13:31:30,772 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,772 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,772 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-06 13:31:30,773 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-06 13:31:30,773 - INFO - problem_instance short name: Sc_1
-2024-12-06 13:31:30,773 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 13:31:30,773 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-06 13:31:30,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,774 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,774 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,774 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-06 13:31:30,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-06 13:31:30,774 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-06 13:31:30,786 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,786 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-06 13:31:30,786 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-06 13:31:30,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-06 13:31:30,787 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 13:31:30,787 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-06 13:31:30,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,788 - INFO - number of orbitals:  135
-2024-12-06 13:31:30,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-06 13:31:30,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 13:31:30,788 - INFO - moving on ...
-2024-12-06 13:31:30,788 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-06 13:31:30,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 13:31:30,790 - INFO - attempting to process the Hamiltonian...
-2024-12-06 13:31:30,790 - INFO - number of supporting files: 2
-2024-12-06 13:31:30,790 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-06 13:31:30,790 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-06 13:31:30,790 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-06 13:31:30,804 - INFO - number of entries in Hamiltonian_features.csv:  185
-2024-12-06 13:31:30,804 - INFO - did NOT find instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a in database.
-2024-12-06 13:31:30,804 - INFO - Processing instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a ...
-2024-12-06 13:31:30,804 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz...
-2024-12-06 13:31:30,816 - INFO - Connected (version 2.0, client 0)
-2024-12-06 13:31:31,380 - INFO - Authentication (publickey) successful!
-2024-12-06 13:31:31,400 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 13:31:37,648 - INFO - [chan 0] sftp session closed.
-2024-12-06 13:31:37,648 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 13:31:37,649 - INFO - decompressing file fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz...
-2024-12-06 13:31:38,677 - INFO - this script has been running for 51.42 hours.
-2024-12-06 13:31:38,677 - INFO - ===============================================
-2024-12-06 13:31:38,677 - INFO - calculating Hamiltonian features...
-2024-12-06 13:31:38,677 - INFO - reading data from fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a
-2024-12-06 13:31:47,261 - INFO - finished reading FCIDUMP data.
-2024-12-06 13:31:47,262 - INFO - data['NORB']: 88
-2024-12-06 13:31:47,262 - INFO - len(data['H1']): 88
-2024-12-06 13:31:47,262 - INFO - ao2mo.restore...
-2024-12-06 13:31:47,359 - INFO - done.
-2024-12-06 13:31:47,359 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 13:31:47,359 - INFO - done.
-2024-12-06 13:31:47,359 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 14:27:57,673 - INFO - done.
-2024-12-06 14:27:57,674 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 14:31:18,732 - INFO - done.
-2024-12-06 14:31:18,732 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 14:31:43,504 - INFO - done.
-2024-12-06 14:31:43,504 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 14:32:01,849 - INFO - done.
-2024-12-06 14:32:01,849 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 14:32:01,850 - INFO - done.
-2024-12-06 14:32:01,850 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 14:32:01,850 - INFO - done.
-2024-12-06 14:32:04,005 - INFO - Hamiltonian features calculation run time (seconds): 3625.327332
-2024-12-06 14:32:04,005 - INFO - wrote df_eigs to file: df_eigs.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.bin
-2024-12-06 14:32:04,005 - INFO - deleting file fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-06 14:32:04,028 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 14:32:04,036 - INFO - this script has been running for 52.43 hours.
-2024-12-06 14:32:04,036 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-06 14:32:04,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-06 14:32:04,036 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,036 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-06 14:32:04,036 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-06 14:32:04,036 - INFO - problem_instance short name: p2_0
-2024-12-06 14:32:04,036 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 14:32:04,036 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-06 14:32:04,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,038 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,038 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,038 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-06 14:32:04,038 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-06 14:32:04,038 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-06 14:32:04,049 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,050 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,050 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-06 14:32:04,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-06 14:32:04,050 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,050 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-06 14:32:04,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,051 - INFO - number of orbitals:  118
-2024-12-06 14:32:04,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-06 14:32:04,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 14:32:04,051 - INFO - moving on ...
-2024-12-06 14:32:04,051 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-06 14:32:04,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,052 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,053 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,053 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-06 14:32:04,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-06 14:32:04,053 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-06 14:32:04,064 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,064 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,064 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-06 14:32:04,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-06 14:32:04,064 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,064 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-06 14:32:04,065 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-06 14:32:04,065 - INFO - problem_instance short name: CuO_0
-2024-12-06 14:32:04,065 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 14:32:04,065 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-06 14:32:04,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,066 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,066 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,066 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-06 14:32:04,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-06 14:32:04,066 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-06 14:32:04,078 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,078 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,078 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-06 14:32:04,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-06 14:32:04,078 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,078 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-06 14:32:04,078 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-06 14:32:04,078 - INFO - problem_instance short name: si2_h6_0
-2024-12-06 14:32:04,078 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 14:32:04,078 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-06 14:32:04,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,080 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,080 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,080 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-06 14:32:04,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-06 14:32:04,080 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-06 14:32:04,091 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,092 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,092 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-06 14:32:04,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-06 14:32:04,092 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,092 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-06 14:32:04,092 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-06 14:32:04,092 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-06 14:32:04,092 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 14:32:04,092 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-06 14:32:04,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,093 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,094 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,094 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-06 14:32:04,094 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-06 14:32:04,094 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-06 14:32:04,105 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,105 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,105 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-06 14:32:04,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-06 14:32:04,105 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,105 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-06 14:32:04,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,106 - INFO - number of orbitals:  115
-2024-12-06 14:32:04,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-06 14:32:04,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 14:32:04,107 - INFO - moving on ...
-2024-12-06 14:32:04,107 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-06 14:32:04,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,108 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,108 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,108 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-06 14:32:04,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-06 14:32:04,108 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-06 14:32:04,119 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,119 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,119 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-06 14:32:04,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-06 14:32:04,120 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,120 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-06 14:32:04,120 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-06 14:32:04,120 - INFO - problem_instance short name: h_f_0
-2024-12-06 14:32:04,120 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 14:32:04,120 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-06 14:32:04,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,121 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,121 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,121 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-06 14:32:04,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-06 14:32:04,121 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-06 14:32:04,133 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,133 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,133 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-06 14:32:04,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-06 14:32:04,133 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,133 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-06 14:32:04,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,135 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,135 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,135 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-06 14:32:04,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-06 14:32:04,135 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-06 14:32:04,146 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,146 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,146 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-06 14:32:04,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-06 14:32:04,146 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,146 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-06 14:32:04,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,147 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,148 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,148 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-06 14:32:04,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-06 14:32:04,148 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-06 14:32:04,159 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,159 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,159 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-06 14:32:04,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-06 14:32:04,159 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,159 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-06 14:32:04,160 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-06 14:32:04,160 - INFO - problem_instance short name: mn_mono
-2024-12-06 14:32:04,160 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-06 14:32:04,160 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-06 14:32:04,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 14:32:04,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 14:32:04,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 14:32:04,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,162 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,162 - INFO - number of supporting files: 1
-2024-12-06 14:32:04,162 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-06 14:32:04,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-06 14:32:04,162 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-06 14:32:04,173 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,173 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,174 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-06 14:32:04,174 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 14:32:04,174 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 14:32:04,174 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 14:32:04,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,176 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,176 - INFO - number of supporting files: 1
-2024-12-06 14:32:04,176 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-06 14:32:04,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-06 14:32:04,176 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-06 14:32:04,187 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,187 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,188 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-06 14:32:04,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 14:32:04,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 14:32:04,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 14:32:04,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,190 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,190 - INFO - number of supporting files: 1
-2024-12-06 14:32:04,190 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-06 14:32:04,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-06 14:32:04,190 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-06 14:32:04,202 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,202 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,202 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-06 14:32:04,202 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 14:32:04,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 14:32:04,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 14:32:04,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,204 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,204 - INFO - number of supporting files: 1
-2024-12-06 14:32:04,204 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-06 14:32:04,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-06 14:32:04,204 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-06 14:32:04,215 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,216 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,216 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-06 14:32:04,216 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 14:32:04,216 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 14:32:04,216 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 14:32:04,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,218 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,218 - INFO - number of supporting files: 1
-2024-12-06 14:32:04,218 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-06 14:32:04,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-06 14:32:04,218 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-06 14:32:04,229 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,229 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,230 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-06 14:32:04,230 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 14:32:04,230 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 14:32:04,230 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 14:32:04,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,231 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,231 - INFO - number of supporting files: 1
-2024-12-06 14:32:04,232 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-06 14:32:04,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-06 14:32:04,232 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-06 14:32:04,243 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,243 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,243 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-06 14:32:04,243 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 14:32:04,243 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 14:32:04,243 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 14:32:04,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,245 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,245 - INFO - number of supporting files: 1
-2024-12-06 14:32:04,245 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-06 14:32:04,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-06 14:32:04,245 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-06 14:32:04,257 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,257 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,257 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-06 14:32:04,258 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-06 14:32:04,258 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-06 14:32:04,258 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-06 14:32:04,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,260 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,260 - INFO - number of supporting files: 1
-2024-12-06 14:32:04,260 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-06 14:32:04,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-06 14:32:04,260 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-06 14:32:04,271 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,272 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,272 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-06 14:32:04,272 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-06 14:32:04,272 - INFO - problem_instance short name: h2_c_o_0
-2024-12-06 14:32:04,272 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 14:32:04,272 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-06 14:32:04,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,273 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,273 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,273 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-06 14:32:04,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-06 14:32:04,273 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-06 14:32:04,285 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,285 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-06 14:32:04,285 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-06 14:32:04,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-06 14:32:04,285 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 14:32:04,285 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-06 14:32:04,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 14:32:04,286 - INFO - attempting to process the Hamiltonian...
-2024-12-06 14:32:04,287 - INFO - number of supporting files: 2
-2024-12-06 14:32:04,287 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-06 14:32:04,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-06 14:32:04,287 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-06 14:32:04,298 - INFO - number of entries in Hamiltonian_features.csv:  186
-2024-12-06 14:32:04,298 - INFO - did NOT find instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 in database.
-2024-12-06 14:32:04,298 - INFO - Processing instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 ...
-2024-12-06 14:32:04,298 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz...
-2024-12-06 14:32:04,309 - INFO - Connected (version 2.0, client 0)
-2024-12-06 14:32:05,022 - INFO - Authentication (publickey) successful!
-2024-12-06 14:32:05,040 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 14:32:13,283 - INFO - [chan 0] sftp session closed.
-2024-12-06 14:32:13,283 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 14:32:13,283 - INFO - decompressing file fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz...
-2024-12-06 14:32:14,411 - INFO - this script has been running for 52.43 hours.
-2024-12-06 14:32:14,411 - INFO - ===============================================
-2024-12-06 14:32:14,411 - INFO - calculating Hamiltonian features...
-2024-12-06 14:32:14,411 - INFO - reading data from fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47
-2024-12-06 14:32:23,986 - INFO - finished reading FCIDUMP data.
-2024-12-06 14:32:23,986 - INFO - data['NORB']: 88
-2024-12-06 14:32:23,986 - INFO - len(data['H1']): 88
-2024-12-06 14:32:23,986 - INFO - ao2mo.restore...
-2024-12-06 14:32:24,072 - INFO - done.
-2024-12-06 14:32:24,072 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 14:32:24,072 - INFO - done.
-2024-12-06 14:32:24,072 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 15:41:17,888 - INFO - done.
-2024-12-06 15:41:17,888 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 15:47:45,052 - INFO - done.
-2024-12-06 15:47:45,053 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 15:48:32,026 - INFO - done.
-2024-12-06 15:48:32,026 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 15:48:49,023 - INFO - done.
-2024-12-06 15:48:49,023 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 15:48:49,024 - INFO - done.
-2024-12-06 15:48:49,024 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 15:48:49,024 - INFO - done.
-2024-12-06 15:48:52,839 - INFO - Hamiltonian features calculation run time (seconds): 4598.427946
-2024-12-06 15:48:52,839 - INFO - wrote df_eigs to file: df_eigs.f1c78add-0e23-423a-bb96-f1370626aa47.bin
-2024-12-06 15:48:52,840 - INFO - deleting file fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-06 15:48:52,863 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 15:48:52,865 - INFO - this script has been running for 53.71 hours.
-2024-12-06 15:48:52,865 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-06 15:48:52,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-06 15:48:52,865 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 15:48:52,865 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-06 15:48:52,865 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-06 15:48:52,865 - INFO - problem_instance short name: c2_h2_0
-2024-12-06 15:48:52,865 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 15:48:52,865 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-06 15:48:52,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 15:48:52,867 - INFO - attempting to process the Hamiltonian...
-2024-12-06 15:48:52,867 - INFO - number of supporting files: 2
-2024-12-06 15:48:52,867 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-06 15:48:52,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-06 15:48:52,867 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-06 15:48:52,878 - INFO - number of entries in Hamiltonian_features.csv:  187
-2024-12-06 15:48:52,879 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-06 15:48:52,879 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-06 15:48:52,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-06 15:48:52,879 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 15:48:52,879 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-06 15:48:52,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 15:48:52,880 - INFO - attempting to process the Hamiltonian...
-2024-12-06 15:48:52,880 - INFO - number of supporting files: 2
-2024-12-06 15:48:52,880 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-06 15:48:52,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-06 15:48:52,880 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-06 15:48:52,891 - INFO - number of entries in Hamiltonian_features.csv:  187
-2024-12-06 15:48:52,892 - INFO - did NOT find instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 in database.
-2024-12-06 15:48:52,892 - INFO - Processing instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 ...
-2024-12-06 15:48:52,892 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz...
-2024-12-06 15:48:52,898 - INFO - Connected (version 2.0, client 0)
-2024-12-06 15:48:53,391 - INFO - Authentication (publickey) successful!
-2024-12-06 15:48:53,406 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 15:49:02,635 - INFO - [chan 0] sftp session closed.
-2024-12-06 15:49:02,635 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 15:49:02,635 - INFO - decompressing file fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz...
-2024-12-06 15:49:03,884 - INFO - this script has been running for 53.71 hours.
-2024-12-06 15:49:03,884 - INFO - ===============================================
-2024-12-06 15:49:03,884 - INFO - calculating Hamiltonian features...
-2024-12-06 15:49:03,884 - INFO - reading data from fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87
-2024-12-06 15:49:13,835 - INFO - finished reading FCIDUMP data.
-2024-12-06 15:49:13,835 - INFO - data['NORB']: 88
-2024-12-06 15:49:13,835 - INFO - len(data['H1']): 88
-2024-12-06 15:49:13,835 - INFO - ao2mo.restore...
-2024-12-06 15:49:13,921 - INFO - done.
-2024-12-06 15:49:13,921 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 15:49:13,921 - INFO - done.
-2024-12-06 15:49:13,921 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 16:50:38,034 - INFO - done.
-2024-12-06 16:50:38,034 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 16:53:47,971 - INFO - done.
-2024-12-06 16:53:47,971 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 16:54:09,168 - INFO - done.
-2024-12-06 16:54:09,168 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 16:54:26,703 - INFO - done.
-2024-12-06 16:54:26,703 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 16:54:26,704 - INFO - done.
-2024-12-06 16:54:26,704 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 16:54:26,704 - INFO - done.
-2024-12-06 16:54:28,810 - INFO - Hamiltonian features calculation run time (seconds): 3924.926649
-2024-12-06 16:54:28,811 - INFO - wrote df_eigs to file: df_eigs.57793481-c847-4746-8241-ea949add5f87.bin
-2024-12-06 16:54:28,811 - INFO - deleting file fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.
-2024-12-06 16:54:28,837 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 16:54:28,839 - INFO - this script has been running for 54.80 hours.
-2024-12-06 16:54:28,839 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-06 16:54:28,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-06 16:54:28,839 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 16:54:28,839 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-06 16:54:28,839 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-06 16:54:28,840 - INFO - problem_instance short name: planted_solution_0009
-2024-12-06 16:54:28,840 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 16:54:28,840 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-06 16:54:28,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,841 - INFO - attempting to process the Hamiltonian...
-2024-12-06 16:54:28,841 - INFO - number of supporting files: 1
-2024-12-06 16:54:28,841 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-06 16:54:28,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-06 16:54:28,841 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-06 16:54:28,852 - INFO - number of entries in Hamiltonian_features.csv:  188
-2024-12-06 16:54:28,852 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-06 16:54:28,852 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-06 16:54:28,853 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-06 16:54:28,853 - INFO - problem_instance short name: FeO_0
-2024-12-06 16:54:28,853 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 16:54:28,853 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-06 16:54:28,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,854 - INFO - attempting to process the Hamiltonian...
-2024-12-06 16:54:28,854 - INFO - number of supporting files: 2
-2024-12-06 16:54:28,854 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-06 16:54:28,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-06 16:54:28,854 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-06 16:54:28,865 - INFO - number of entries in Hamiltonian_features.csv:  188
-2024-12-06 16:54:28,865 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-06 16:54:28,865 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-06 16:54:28,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-06 16:54:28,865 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 16:54:28,865 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-06 16:54:28,865 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-06 16:54:28,865 - INFO - problem_instance short name: h2_o_0
-2024-12-06 16:54:28,865 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 16:54:28,865 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-06 16:54:28,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,866 - INFO - attempting to process the Hamiltonian...
-2024-12-06 16:54:28,866 - INFO - number of supporting files: 2
-2024-12-06 16:54:28,866 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-06 16:54:28,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-06 16:54:28,867 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-06 16:54:28,877 - INFO - number of entries in Hamiltonian_features.csv:  188
-2024-12-06 16:54:28,878 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-06 16:54:28,878 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-06 16:54:28,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-06 16:54:28,878 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 16:54:28,878 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-06 16:54:28,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,879 - INFO - number of orbitals:  115
-2024-12-06 16:54:28,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-06 16:54:28,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 16:54:28,879 - INFO - moving on ...
-2024-12-06 16:54:28,879 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-06 16:54:28,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,880 - INFO - attempting to process the Hamiltonian...
-2024-12-06 16:54:28,880 - INFO - number of supporting files: 2
-2024-12-06 16:54:28,880 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-06 16:54:28,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-06 16:54:28,881 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-06 16:54:28,891 - INFO - number of entries in Hamiltonian_features.csv:  188
-2024-12-06 16:54:28,891 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-06 16:54:28,891 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-06 16:54:28,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-06 16:54:28,891 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 16:54:28,891 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-06 16:54:28,892 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-06 16:54:28,892 - INFO - problem_instance short name: si_o_0
-2024-12-06 16:54:28,892 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 16:54:28,892 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-06 16:54:28,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,893 - INFO - attempting to process the Hamiltonian...
-2024-12-06 16:54:28,893 - INFO - number of supporting files: 2
-2024-12-06 16:54:28,893 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-06 16:54:28,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-06 16:54:28,893 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-06 16:54:28,904 - INFO - number of entries in Hamiltonian_features.csv:  188
-2024-12-06 16:54:28,904 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-06 16:54:28,904 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-06 16:54:28,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-06 16:54:28,904 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 16:54:28,904 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-06 16:54:28,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,905 - INFO - number of orbitals:  114
-2024-12-06 16:54:28,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-06 16:54:28,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 16:54:28,905 - INFO - moving on ...
-2024-12-06 16:54:28,905 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-06 16:54:28,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,907 - INFO - attempting to process the Hamiltonian...
-2024-12-06 16:54:28,907 - INFO - number of supporting files: 2
-2024-12-06 16:54:28,907 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-06 16:54:28,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-06 16:54:28,907 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-06 16:54:28,917 - INFO - number of entries in Hamiltonian_features.csv:  188
-2024-12-06 16:54:28,917 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-06 16:54:28,917 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-06 16:54:28,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-06 16:54:28,918 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 16:54:28,918 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-06 16:54:28,918 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-06 16:54:28,918 - INFO - problem_instance short name: h2_o2_0
-2024-12-06 16:54:28,918 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 16:54:28,918 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-06 16:54:28,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,919 - INFO - attempting to process the Hamiltonian...
-2024-12-06 16:54:28,919 - INFO - number of supporting files: 2
-2024-12-06 16:54:28,919 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-06 16:54:28,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-06 16:54:28,919 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-06 16:54:28,929 - INFO - number of entries in Hamiltonian_features.csv:  188
-2024-12-06 16:54:28,929 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-06 16:54:28,929 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-06 16:54:28,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-06 16:54:28,929 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 16:54:28,929 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-06 16:54:28,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 16:54:28,930 - INFO - attempting to process the Hamiltonian...
-2024-12-06 16:54:28,931 - INFO - number of supporting files: 2
-2024-12-06 16:54:28,931 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-06 16:54:28,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-06 16:54:28,931 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-06 16:54:28,941 - INFO - number of entries in Hamiltonian_features.csv:  188
-2024-12-06 16:54:28,941 - INFO - did NOT find instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 in database.
-2024-12-06 16:54:28,941 - INFO - Processing instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 ...
-2024-12-06 16:54:28,941 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz...
-2024-12-06 16:54:28,946 - INFO - Connected (version 2.0, client 0)
-2024-12-06 16:54:29,455 - INFO - Authentication (publickey) successful!
-2024-12-06 16:54:29,468 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 16:56:15,461 - INFO - [chan 0] sftp session closed.
-2024-12-06 16:56:15,462 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 16:56:15,462 - INFO - decompressing file fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz...
-2024-12-06 16:56:19,547 - INFO - this script has been running for 54.83 hours.
-2024-12-06 16:56:19,547 - INFO - ===============================================
-2024-12-06 16:56:19,547 - INFO - calculating Hamiltonian features...
-2024-12-06 16:56:19,547 - INFO - reading data from fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65
-2024-12-06 16:56:52,965 - INFO - finished reading FCIDUMP data.
-2024-12-06 16:56:52,965 - INFO - data['NORB']: 88
-2024-12-06 16:56:52,965 - INFO - len(data['H1']): 88
-2024-12-06 16:56:52,965 - INFO - ao2mo.restore...
-2024-12-06 16:56:53,050 - INFO - done.
-2024-12-06 16:56:53,050 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 16:56:53,050 - INFO - done.
-2024-12-06 16:56:53,050 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 20:45:31,807 - INFO - done.
-2024-12-06 20:45:31,807 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 20:58:42,383 - INFO - done.
-2024-12-06 20:58:42,383 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 21:00:22,858 - INFO - done.
-2024-12-06 21:00:22,858 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 21:00:41,489 - INFO - done.
-2024-12-06 21:00:41,490 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 21:00:41,490 - INFO - done.
-2024-12-06 21:00:41,490 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 21:00:41,490 - INFO - done.
-2024-12-06 21:00:49,205 - INFO - Hamiltonian features calculation run time (seconds): 14669.658039
-2024-12-06 21:00:49,206 - INFO - wrote df_eigs to file: df_eigs.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.bin
-2024-12-06 21:00:49,206 - INFO - deleting file fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-06 21:00:49,300 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 21:00:49,302 - INFO - this script has been running for 58.91 hours.
-2024-12-06 21:00:49,302 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-06 21:00:49,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-06 21:00:49,302 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 21:00:49,302 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-06 21:00:49,303 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-06 21:00:49,303 - INFO - problem_instance short name: Ti_1
-2024-12-06 21:00:49,303 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 21:00:49,303 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-06 21:00:49,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 21:00:49,304 - INFO - attempting to process the Hamiltonian...
-2024-12-06 21:00:49,304 - INFO - number of supporting files: 2
-2024-12-06 21:00:49,304 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-06 21:00:49,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-06 21:00:49,304 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-06 21:00:49,316 - INFO - number of entries in Hamiltonian_features.csv:  189
-2024-12-06 21:00:49,316 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-06 21:00:49,317 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-06 21:00:49,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-06 21:00:49,317 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 21:00:49,317 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-06 21:00:49,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 21:00:49,318 - INFO - attempting to process the Hamiltonian...
-2024-12-06 21:00:49,318 - INFO - number of supporting files: 2
-2024-12-06 21:00:49,318 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-06 21:00:49,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-06 21:00:49,318 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-06 21:00:49,329 - INFO - number of entries in Hamiltonian_features.csv:  189
-2024-12-06 21:00:49,330 - INFO - did NOT find instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 in database.
-2024-12-06 21:00:49,330 - INFO - Processing instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 ...
-2024-12-06 21:00:49,330 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz...
-2024-12-06 21:00:49,336 - INFO - Connected (version 2.0, client 0)
-2024-12-06 21:00:49,883 - INFO - Authentication (publickey) successful!
-2024-12-06 21:00:49,901 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 21:01:11,045 - INFO - [chan 0] sftp session closed.
-2024-12-06 21:01:11,045 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 21:01:11,045 - INFO - decompressing file fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz...
-2024-12-06 21:01:13,108 - INFO - this script has been running for 58.91 hours.
-2024-12-06 21:01:13,108 - INFO - ===============================================
-2024-12-06 21:01:13,108 - INFO - calculating Hamiltonian features...
-2024-12-06 21:01:13,108 - INFO - reading data from fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9
-2024-12-06 21:01:29,302 - INFO - finished reading FCIDUMP data.
-2024-12-06 21:01:29,302 - INFO - data['NORB']: 88
-2024-12-06 21:01:29,302 - INFO - len(data['H1']): 88
-2024-12-06 21:01:29,302 - INFO - ao2mo.restore...
-2024-12-06 21:01:29,394 - INFO - done.
-2024-12-06 21:01:29,394 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 21:01:29,394 - INFO - done.
-2024-12-06 21:01:29,394 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-06 22:56:53,937 - INFO - done.
-2024-12-06 22:56:53,937 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-06 23:08:14,874 - INFO - done.
-2024-12-06 23:08:14,874 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-06 23:09:37,920 - INFO - done.
-2024-12-06 23:09:37,920 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-06 23:09:55,110 - INFO - done.
-2024-12-06 23:09:55,110 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-06 23:09:55,111 - INFO - done.
-2024-12-06 23:09:55,111 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-06 23:09:55,111 - INFO - done.
-2024-12-06 23:10:01,902 - INFO - Hamiltonian features calculation run time (seconds): 7728.793658
-2024-12-06 23:10:01,902 - INFO - wrote df_eigs to file: df_eigs.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.bin
-2024-12-06 23:10:01,902 - INFO - deleting file fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-06 23:10:01,941 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-06 23:10:01,949 - INFO - this script has been running for 61.06 hours.
-2024-12-06 23:10:01,949 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-06 23:10:01,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-06 23:10:01,949 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 23:10:01,949 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-06 23:10:01,949 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-06 23:10:01,949 - INFO - problem_instance short name: c2_h4_0
-2024-12-06 23:10:01,949 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 23:10:01,949 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-06 23:10:01,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 23:10:01,951 - INFO - attempting to process the Hamiltonian...
-2024-12-06 23:10:01,951 - INFO - number of supporting files: 2
-2024-12-06 23:10:01,951 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-06 23:10:01,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-06 23:10:01,951 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-06 23:10:01,963 - INFO - number of entries in Hamiltonian_features.csv:  190
-2024-12-06 23:10:01,963 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-06 23:10:01,963 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-06 23:10:01,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-06 23:10:01,963 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 23:10:01,963 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-06 23:10:01,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 23:10:01,965 - INFO - number of orbitals:  116
-2024-12-06 23:10:01,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-06 23:10:01,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-06 23:10:01,965 - INFO - moving on ...
-2024-12-06 23:10:01,965 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-06 23:10:01,965 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-06 23:10:01,965 - INFO - problem_instance short name: be_0
-2024-12-06 23:10:01,965 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-06 23:10:01,965 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-06 23:10:01,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 23:10:01,966 - INFO - attempting to process the Hamiltonian...
-2024-12-06 23:10:01,966 - INFO - number of supporting files: 2
-2024-12-06 23:10:01,967 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-06 23:10:01,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-06 23:10:01,967 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-06 23:10:01,979 - INFO - number of entries in Hamiltonian_features.csv:  190
-2024-12-06 23:10:01,979 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-06 23:10:01,979 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-06 23:10:01,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-06 23:10:01,979 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 23:10:01,979 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-06 23:10:01,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 23:10:01,980 - INFO - attempting to process the Hamiltonian...
-2024-12-06 23:10:01,981 - INFO - number of supporting files: 2
-2024-12-06 23:10:01,981 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-06 23:10:01,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-06 23:10:01,981 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-06 23:10:01,992 - INFO - number of entries in Hamiltonian_features.csv:  190
-2024-12-06 23:10:01,993 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-06 23:10:01,993 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-06 23:10:01,993 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-06 23:10:01,993 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 23:10:01,993 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-06 23:10:01,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 23:10:01,994 - INFO - attempting to process the Hamiltonian...
-2024-12-06 23:10:01,994 - INFO - number of supporting files: 2
-2024-12-06 23:10:01,994 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-06 23:10:01,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-06 23:10:01,994 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-06 23:10:02,006 - INFO - number of entries in Hamiltonian_features.csv:  190
-2024-12-06 23:10:02,006 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-06 23:10:02,006 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-06 23:10:02,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-06 23:10:02,006 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 23:10:02,006 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-06 23:10:02,007 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-06 23:10:02,007 - INFO - problem_instance short name: MnO_0
-2024-12-06 23:10:02,007 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-06 23:10:02,007 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-06 23:10:02,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 23:10:02,008 - INFO - attempting to process the Hamiltonian...
-2024-12-06 23:10:02,008 - INFO - number of supporting files: 2
-2024-12-06 23:10:02,008 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-06 23:10:02,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-06 23:10:02,008 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-06 23:10:02,019 - INFO - number of entries in Hamiltonian_features.csv:  190
-2024-12-06 23:10:02,020 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-06 23:10:02,020 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-06 23:10:02,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-06 23:10:02,020 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 23:10:02,020 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-06 23:10:02,020 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-06 23:10:02,020 - INFO - problem_instance short name: si_h4_0
-2024-12-06 23:10:02,020 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-06 23:10:02,020 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-06 23:10:02,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 23:10:02,022 - INFO - attempting to process the Hamiltonian...
-2024-12-06 23:10:02,022 - INFO - number of supporting files: 2
-2024-12-06 23:10:02,022 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-06 23:10:02,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-06 23:10:02,022 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-06 23:10:02,035 - INFO - number of entries in Hamiltonian_features.csv:  190
-2024-12-06 23:10:02,036 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-06 23:10:02,036 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-06 23:10:02,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-06 23:10:02,036 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-06 23:10:02,036 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-06 23:10:02,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-06 23:10:02,038 - INFO - attempting to process the Hamiltonian...
-2024-12-06 23:10:02,038 - INFO - number of supporting files: 2
-2024-12-06 23:10:02,038 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-06 23:10:02,038 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-06 23:10:02,038 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-06 23:10:02,052 - INFO - number of entries in Hamiltonian_features.csv:  190
-2024-12-06 23:10:02,052 - INFO - did NOT find instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 in database.
-2024-12-06 23:10:02,052 - INFO - Processing instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 ...
-2024-12-06 23:10:02,052 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz...
-2024-12-06 23:10:02,062 - INFO - Connected (version 2.0, client 0)
-2024-12-06 23:10:02,571 - INFO - Authentication (publickey) successful!
-2024-12-06 23:10:02,587 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-06 23:11:44,223 - INFO - [chan 0] sftp session closed.
-2024-12-06 23:11:44,224 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-06 23:11:44,224 - INFO - decompressing file fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz...
-2024-12-06 23:11:48,160 - INFO - this script has been running for 61.09 hours.
-2024-12-06 23:11:48,160 - INFO - ===============================================
-2024-12-06 23:11:48,160 - INFO - calculating Hamiltonian features...
-2024-12-06 23:11:48,160 - INFO - reading data from fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772
-2024-12-06 23:12:22,022 - INFO - finished reading FCIDUMP data.
-2024-12-06 23:12:22,022 - INFO - data['NORB']: 90
-2024-12-06 23:12:22,022 - INFO - len(data['H1']): 90
-2024-12-06 23:12:22,022 - INFO - ao2mo.restore...
-2024-12-06 23:12:22,113 - INFO - done.
-2024-12-06 23:12:22,113 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-06 23:12:22,114 - INFO - done.
-2024-12-06 23:12:22,114 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-07 03:41:15,611 - INFO - done.
-2024-12-07 03:41:15,611 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-07 04:07:55,283 - INFO - done.
-2024-12-07 04:07:55,284 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-07 04:11:12,708 - INFO - done.
-2024-12-07 04:11:12,708 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-07 04:11:32,600 - INFO - done.
-2024-12-07 04:11:32,600 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-07 04:11:32,600 - INFO - done.
-2024-12-07 04:11:32,601 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-07 04:11:32,601 - INFO - done.
-2024-12-07 04:11:47,756 - INFO - Hamiltonian features calculation run time (seconds): 17999.59573
-2024-12-07 04:11:47,757 - INFO - wrote df_eigs to file: df_eigs.e709c0b6-d851-47d2-b72a-f4da8479a772.bin
-2024-12-07 04:11:47,757 - INFO - deleting file fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-07 04:11:47,845 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-07 04:11:47,847 - INFO - this script has been running for 66.09 hours.
-2024-12-07 04:11:47,848 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-07 04:11:47,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-07 04:11:47,848 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 04:11:47,848 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-07 04:11:47,848 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-07 04:11:47,848 - INFO - problem_instance short name: h_cl_0
-2024-12-07 04:11:47,848 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-07 04:11:47,848 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-07 04:11:47,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 04:11:47,849 - INFO - attempting to process the Hamiltonian...
-2024-12-07 04:11:47,849 - INFO - number of supporting files: 2
-2024-12-07 04:11:47,849 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-07 04:11:47,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-07 04:11:47,850 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-07 04:11:47,860 - INFO - number of entries in Hamiltonian_features.csv:  191
-2024-12-07 04:11:47,861 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-07 04:11:47,861 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-07 04:11:47,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-07 04:11:47,862 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 04:11:47,862 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-07 04:11:47,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 04:11:47,863 - INFO - attempting to process the Hamiltonian...
-2024-12-07 04:11:47,863 - INFO - number of supporting files: 2
-2024-12-07 04:11:47,863 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-07 04:11:47,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-07 04:11:47,863 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-07 04:11:47,874 - INFO - number of entries in Hamiltonian_features.csv:  191
-2024-12-07 04:11:47,874 - INFO - did NOT find instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 in database.
-2024-12-07 04:11:47,874 - INFO - Processing instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 ...
-2024-12-07 04:11:47,874 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz...
-2024-12-07 04:11:47,879 - INFO - Connected (version 2.0, client 0)
-2024-12-07 04:11:48,391 - INFO - Authentication (publickey) successful!
-2024-12-07 04:11:48,410 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-07 04:12:11,982 - INFO - [chan 0] sftp session closed.
-2024-12-07 04:12:11,982 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-07 04:12:11,982 - INFO - decompressing file fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz...
-2024-12-07 04:12:14,036 - INFO - this script has been running for 66.10 hours.
-2024-12-07 04:12:14,037 - INFO - ===============================================
-2024-12-07 04:12:14,037 - INFO - calculating Hamiltonian features...
-2024-12-07 04:12:14,037 - INFO - reading data from fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96
-2024-12-07 04:12:30,869 - INFO - finished reading FCIDUMP data.
-2024-12-07 04:12:30,869 - INFO - data['NORB']: 89
-2024-12-07 04:12:30,869 - INFO - len(data['H1']): 89
-2024-12-07 04:12:30,869 - INFO - ao2mo.restore...
-2024-12-07 04:12:30,960 - INFO - done.
-2024-12-07 04:12:30,960 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-07 04:12:30,960 - INFO - done.
-2024-12-07 04:12:30,960 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-07 06:12:38,268 - INFO - done.
-2024-12-07 06:12:38,268 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-07 06:23:28,815 - INFO - done.
-2024-12-07 06:23:28,815 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-07 06:24:35,337 - INFO - done.
-2024-12-07 06:24:35,337 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-07 06:24:52,188 - INFO - done.
-2024-12-07 06:24:52,188 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-07 06:24:52,189 - INFO - done.
-2024-12-07 06:24:52,189 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-07 06:24:52,189 - INFO - done.
-2024-12-07 06:24:58,569 - INFO - Hamiltonian features calculation run time (seconds): 7964.532441
-2024-12-07 06:24:58,570 - INFO - wrote df_eigs to file: df_eigs.1235d3d0-2c41-4036-909c-807ed3c89d96.bin
-2024-12-07 06:24:58,570 - INFO - deleting file fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-07 06:24:58,613 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-07 06:24:58,620 - INFO - this script has been running for 68.31 hours.
-2024-12-07 06:24:58,620 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-07 06:24:58,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-07 06:24:58,620 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 06:24:58,620 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-07 06:24:58,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 06:24:58,622 - INFO - attempting to process the Hamiltonian...
-2024-12-07 06:24:58,622 - INFO - number of supporting files: 2
-2024-12-07 06:24:58,622 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-07 06:24:58,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-07 06:24:58,622 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-07 06:24:58,632 - INFO - number of entries in Hamiltonian_features.csv:  192
-2024-12-07 06:24:58,633 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-07 06:24:58,633 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-07 06:24:58,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-07 06:24:58,633 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 06:24:58,633 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-07 06:24:58,633 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-07 06:24:58,633 - INFO - problem_instance short name: Fe_1
-2024-12-07 06:24:58,633 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 06:24:58,633 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-07 06:24:58,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 06:24:58,635 - INFO - attempting to process the Hamiltonian...
-2024-12-07 06:24:58,635 - INFO - number of supporting files: 2
-2024-12-07 06:24:58,635 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-07 06:24:58,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-07 06:24:58,635 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-07 06:24:58,646 - INFO - number of entries in Hamiltonian_features.csv:  192
-2024-12-07 06:24:58,646 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-07 06:24:58,646 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-07 06:24:58,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-07 06:24:58,646 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 06:24:58,647 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-07 06:24:58,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 06:24:58,648 - INFO - attempting to process the Hamiltonian...
-2024-12-07 06:24:58,648 - INFO - number of supporting files: 2
-2024-12-07 06:24:58,648 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-07 06:24:58,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-07 06:24:58,648 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-07 06:24:58,659 - INFO - number of entries in Hamiltonian_features.csv:  192
-2024-12-07 06:24:58,659 - INFO - did NOT find instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 in database.
-2024-12-07 06:24:58,659 - INFO - Processing instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 ...
-2024-12-07 06:24:58,659 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz...
-2024-12-07 06:24:58,664 - INFO - Connected (version 2.0, client 0)
-2024-12-07 06:24:59,157 - INFO - Authentication (publickey) successful!
-2024-12-07 06:24:59,169 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-07 06:25:09,986 - INFO - [chan 0] sftp session closed.
-2024-12-07 06:25:09,987 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-07 06:25:09,987 - INFO - decompressing file fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz...
-2024-12-07 06:25:11,275 - INFO - this script has been running for 68.31 hours.
-2024-12-07 06:25:11,275 - INFO - ===============================================
-2024-12-07 06:25:11,275 - INFO - calculating Hamiltonian features...
-2024-12-07 06:25:11,275 - INFO - reading data from fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211
-2024-12-07 06:25:22,074 - INFO - finished reading FCIDUMP data.
-2024-12-07 06:25:22,074 - INFO - data['NORB']: 88
-2024-12-07 06:25:22,074 - INFO - len(data['H1']): 88
-2024-12-07 06:25:22,074 - INFO - ao2mo.restore...
-2024-12-07 06:25:22,196 - INFO - done.
-2024-12-07 06:25:22,197 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-07 06:25:22,197 - INFO - done.
-2024-12-07 06:25:22,197 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-07 07:33:26,832 - INFO - done.
-2024-12-07 07:33:26,832 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-07 07:36:35,795 - INFO - done.
-2024-12-07 07:36:35,795 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-07 07:36:53,729 - INFO - done.
-2024-12-07 07:36:53,729 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-07 07:37:11,615 - INFO - done.
-2024-12-07 07:37:11,615 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-07 07:37:11,618 - INFO - done.
-2024-12-07 07:37:11,618 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-07 07:37:11,618 - INFO - done.
-2024-12-07 07:37:13,946 - INFO - Hamiltonian features calculation run time (seconds): 4322.670737
-2024-12-07 07:37:13,947 - INFO - wrote df_eigs to file: df_eigs.b9615d62-11ee-49f7-8df4-df94466b2211.bin
-2024-12-07 07:37:13,947 - INFO - deleting file fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-07 07:37:13,975 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-07 07:37:13,982 - INFO - this script has been running for 69.51 hours.
-2024-12-07 07:37:13,982 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-07 07:37:13,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-07 07:37:13,982 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 07:37:13,982 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-07 07:37:13,982 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-07 07:37:13,982 - INFO - problem_instance short name: planted_solution_0002
-2024-12-07 07:37:13,982 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-07 07:37:13,982 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-07 07:37:13,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:13,984 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:13,984 - INFO - number of supporting files: 1
-2024-12-07 07:37:13,984 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-07 07:37:13,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-07 07:37:13,984 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-07 07:37:13,996 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:13,996 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-07 07:37:13,996 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-07 07:37:13,997 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-07 07:37:13,997 - INFO - problem_instance short name: c2_h6_0
-2024-12-07 07:37:13,997 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-07 07:37:13,997 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-07 07:37:13,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:13,998 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:13,998 - INFO - number of supporting files: 2
-2024-12-07 07:37:13,998 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-07 07:37:13,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-07 07:37:13,999 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-07 07:37:14,010 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,011 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,011 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-07 07:37:14,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-07 07:37:14,011 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 07:37:14,011 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-07 07:37:14,011 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-07 07:37:14,011 - INFO - problem_instance short name: blue_dimer
-2024-12-07 07:37:14,011 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-07 07:37:14,011 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-07 07:37:14,011 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,012 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,012 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,013 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,013 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,013 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-07 07:37:14,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-07 07:37:14,013 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-07 07:37:14,025 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,025 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,025 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-07 07:37:14,025 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,026 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,026 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,027 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,027 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,028 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-07 07:37:14,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-07 07:37:14,028 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-07 07:37:14,039 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,040 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,040 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-07 07:37:14,040 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,040 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,040 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,042 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,042 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,042 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-07 07:37:14,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-07 07:37:14,042 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-07 07:37:14,055 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,055 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,055 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-07 07:37:14,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,055 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,055 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,057 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,057 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,057 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-07 07:37:14,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-07 07:37:14,057 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-07 07:37:14,069 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,069 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,070 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-07 07:37:14,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,072 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,072 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,072 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-07 07:37:14,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-07 07:37:14,072 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-07 07:37:14,083 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,083 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,083 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-07 07:37:14,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,085 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,086 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,086 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-07 07:37:14,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-07 07:37:14,086 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-07 07:37:14,097 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,098 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,098 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-07 07:37:14,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,100 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,100 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,100 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-07 07:37:14,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-07 07:37:14,100 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-07 07:37:14,112 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,112 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,112 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-07 07:37:14,112 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,112 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,112 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,114 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,114 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,114 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-07 07:37:14,114 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-07 07:37:14,114 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-07 07:37:14,126 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,127 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,127 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-07 07:37:14,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,129 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,129 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,129 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-07 07:37:14,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-07 07:37:14,129 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-07 07:37:14,141 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,141 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,141 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-07 07:37:14,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,143 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,143 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,143 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-07 07:37:14,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-07 07:37:14,143 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-07 07:37:14,157 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,157 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,157 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-07 07:37:14,157 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,157 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,158 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,160 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,160 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,160 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-07 07:37:14,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-07 07:37:14,160 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-07 07:37:14,173 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,173 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,173 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-07 07:37:14,173 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-07 07:37:14,174 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-07 07:37:14,174 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-07 07:37:14,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,175 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,175 - INFO - number of supporting files: 1
-2024-12-07 07:37:14,175 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-07 07:37:14,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-07 07:37:14,175 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-07 07:37:14,187 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,187 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,187 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-07 07:37:14,187 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-07 07:37:14,188 - INFO - problem_instance short name: h_c_n_0
-2024-12-07 07:37:14,188 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 07:37:14,188 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-07 07:37:14,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,189 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,189 - INFO - number of supporting files: 2
-2024-12-07 07:37:14,189 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-07 07:37:14,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-07 07:37:14,189 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-07 07:37:14,200 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,201 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,201 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-07 07:37:14,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-07 07:37:14,201 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 07:37:14,201 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-07 07:37:14,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,202 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,202 - INFO - number of supporting files: 2
-2024-12-07 07:37:14,202 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-07 07:37:14,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-07 07:37:14,202 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-07 07:37:14,213 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,214 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,214 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-07 07:37:14,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-07 07:37:14,214 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 07:37:14,214 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-07 07:37:14,214 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-07 07:37:14,214 - INFO - problem_instance short name: Ti_0
-2024-12-07 07:37:14,214 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 07:37:14,214 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-07 07:37:14,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,215 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,216 - INFO - number of supporting files: 2
-2024-12-07 07:37:14,216 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-07 07:37:14,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-07 07:37:14,216 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-07 07:37:14,227 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,228 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-07 07:37:14,228 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-07 07:37:14,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-07 07:37:14,228 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 07:37:14,228 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-07 07:37:14,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 07:37:14,229 - INFO - attempting to process the Hamiltonian...
-2024-12-07 07:37:14,229 - INFO - number of supporting files: 2
-2024-12-07 07:37:14,229 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-07 07:37:14,229 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-07 07:37:14,229 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-07 07:37:14,241 - INFO - number of entries in Hamiltonian_features.csv:  193
-2024-12-07 07:37:14,242 - INFO - did NOT find instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 in database.
-2024-12-07 07:37:14,242 - INFO - Processing instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 ...
-2024-12-07 07:37:14,242 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz...
-2024-12-07 07:37:14,246 - INFO - Connected (version 2.0, client 0)
-2024-12-07 07:37:14,753 - INFO - Authentication (publickey) successful!
-2024-12-07 07:37:14,770 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-07 07:37:47,469 - INFO - [chan 0] sftp session closed.
-2024-12-07 07:37:47,469 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-07 07:37:47,469 - INFO - decompressing file fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz...
-2024-12-07 07:37:49,705 - INFO - this script has been running for 69.52 hours.
-2024-12-07 07:37:49,705 - INFO - ===============================================
-2024-12-07 07:37:49,705 - INFO - calculating Hamiltonian features...
-2024-12-07 07:37:49,705 - INFO - reading data from fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407
-2024-12-07 07:38:08,738 - INFO - finished reading FCIDUMP data.
-2024-12-07 07:38:08,738 - INFO - data['NORB']: 88
-2024-12-07 07:38:08,738 - INFO - len(data['H1']): 88
-2024-12-07 07:38:08,738 - INFO - ao2mo.restore...
-2024-12-07 07:38:08,859 - INFO - done.
-2024-12-07 07:38:08,859 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-07 07:38:08,859 - INFO - done.
-2024-12-07 07:38:08,859 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-07 09:55:53,429 - INFO - done.
-2024-12-07 09:55:53,429 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-07 10:07:40,640 - INFO - done.
-2024-12-07 10:07:40,640 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-07 10:09:05,101 - INFO - done.
-2024-12-07 10:09:05,101 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-07 10:09:21,549 - INFO - done.
-2024-12-07 10:09:21,549 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-07 10:09:21,550 - INFO - done.
-2024-12-07 10:09:21,550 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-07 10:09:21,550 - INFO - done.
-2024-12-07 10:09:28,477 - INFO - Hamiltonian features calculation run time (seconds): 9098.772117
-2024-12-07 10:09:28,477 - INFO - wrote df_eigs to file: df_eigs.7766bf7c-05db-4294-b125-6f0110aa9407.bin
-2024-12-07 10:09:28,477 - INFO - deleting file fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-07 10:09:28,528 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-07 10:09:28,535 - INFO - this script has been running for 72.05 hours.
-2024-12-07 10:09:28,535 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-07 10:09:28,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-07 10:09:28,535 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 10:09:28,535 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-07 10:09:28,536 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-07 10:09:28,536 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-07 10:09:28,536 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-07 10:09:28,536 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-07 10:09:28,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 10:09:28,537 - INFO - attempting to process the Hamiltonian...
-2024-12-07 10:09:28,537 - INFO - number of supporting files: 2
-2024-12-07 10:09:28,537 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-07 10:09:28,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-07 10:09:28,538 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-07 10:09:28,550 - INFO - number of entries in Hamiltonian_features.csv:  194
-2024-12-07 10:09:28,550 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-07 10:09:28,550 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-07 10:09:28,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-07 10:09:28,550 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 10:09:28,550 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-07 10:09:28,550 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-07 10:09:28,550 - INFO - problem_instance short name: h_o_cl_0
-2024-12-07 10:09:28,550 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 10:09:28,550 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-07 10:09:28,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 10:09:28,552 - INFO - attempting to process the Hamiltonian...
-2024-12-07 10:09:28,552 - INFO - number of supporting files: 2
-2024-12-07 10:09:28,552 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-07 10:09:28,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-07 10:09:28,552 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-07 10:09:28,563 - INFO - number of entries in Hamiltonian_features.csv:  194
-2024-12-07 10:09:28,564 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-07 10:09:28,564 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-07 10:09:28,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-07 10:09:28,564 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 10:09:28,564 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-07 10:09:28,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 10:09:28,565 - INFO - attempting to process the Hamiltonian...
-2024-12-07 10:09:28,565 - INFO - number of supporting files: 2
-2024-12-07 10:09:28,565 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-07 10:09:28,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-07 10:09:28,565 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-07 10:09:28,577 - INFO - number of entries in Hamiltonian_features.csv:  194
-2024-12-07 10:09:28,577 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-07 10:09:28,577 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-07 10:09:28,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-07 10:09:28,577 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 10:09:28,577 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-07 10:09:28,577 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-07 10:09:28,577 - INFO - problem_instance short name: c_h4_0
-2024-12-07 10:09:28,577 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 10:09:28,577 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-07 10:09:28,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 10:09:28,579 - INFO - attempting to process the Hamiltonian...
-2024-12-07 10:09:28,579 - INFO - number of supporting files: 2
-2024-12-07 10:09:28,579 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-07 10:09:28,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-07 10:09:28,579 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-07 10:09:28,590 - INFO - number of entries in Hamiltonian_features.csv:  194
-2024-12-07 10:09:28,591 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-07 10:09:28,591 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-07 10:09:28,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-07 10:09:28,591 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 10:09:28,591 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-07 10:09:28,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 10:09:28,592 - INFO - attempting to process the Hamiltonian...
-2024-12-07 10:09:28,592 - INFO - number of supporting files: 2
-2024-12-07 10:09:28,592 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-07 10:09:28,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-07 10:09:28,592 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-07 10:09:28,604 - INFO - number of entries in Hamiltonian_features.csv:  194
-2024-12-07 10:09:28,605 - INFO - did NOT find instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea in database.
-2024-12-07 10:09:28,605 - INFO - Processing instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea ...
-2024-12-07 10:09:28,605 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz...
-2024-12-07 10:09:28,610 - INFO - Connected (version 2.0, client 0)
-2024-12-07 10:09:29,115 - INFO - Authentication (publickey) successful!
-2024-12-07 10:09:29,131 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-07 10:10:40,399 - INFO - [chan 0] sftp session closed.
-2024-12-07 10:10:40,399 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-07 10:10:40,399 - INFO - decompressing file fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz...
-2024-12-07 10:10:43,780 - INFO - this script has been running for 72.07 hours.
-2024-12-07 10:10:43,780 - INFO - ===============================================
-2024-12-07 10:10:43,780 - INFO - calculating Hamiltonian features...
-2024-12-07 10:10:43,780 - INFO - reading data from fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea
-2024-12-07 10:11:12,955 - INFO - finished reading FCIDUMP data.
-2024-12-07 10:11:12,955 - INFO - data['NORB']: 86
-2024-12-07 10:11:12,956 - INFO - len(data['H1']): 86
-2024-12-07 10:11:12,956 - INFO - ao2mo.restore...
-2024-12-07 10:11:13,063 - INFO - done.
-2024-12-07 10:11:13,063 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-07 10:11:13,063 - INFO - done.
-2024-12-07 10:11:13,063 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-07 13:40:44,940 - INFO - done.
-2024-12-07 13:40:44,940 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-07 14:03:02,809 - INFO - done.
-2024-12-07 14:03:02,809 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-07 14:05:48,726 - INFO - done.
-2024-12-07 14:05:48,726 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-07 14:06:02,767 - INFO - done.
-2024-12-07 14:06:02,767 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-07 14:06:02,767 - INFO - done.
-2024-12-07 14:06:02,767 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-07 14:06:02,768 - INFO - done.
-2024-12-07 14:06:15,179 - INFO - Hamiltonian features calculation run time (seconds): 14131.398243
-2024-12-07 14:06:15,179 - INFO - wrote df_eigs to file: df_eigs.47a5eadf-e31e-4c38-983f-8c75460463ea.bin
-2024-12-07 14:06:15,179 - INFO - deleting file fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-07 14:06:15,263 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-07 14:06:15,265 - INFO - this script has been running for 76.00 hours.
-2024-12-07 14:06:15,265 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-07 14:06:15,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-07 14:06:15,265 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 14:06:15,265 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-07 14:06:15,265 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-07 14:06:15,265 - INFO - problem_instance short name: O_0
-2024-12-07 14:06:15,265 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-07 14:06:15,265 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-07 14:06:15,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,267 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,267 - INFO - number of supporting files: 2
-2024-12-07 14:06:15,267 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-07 14:06:15,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-07 14:06:15,267 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-07 14:06:15,279 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,279 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-07 14:06:15,279 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-07 14:06:15,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-07 14:06:15,280 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 14:06:15,280 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-07 14:06:15,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,281 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,281 - INFO - number of supporting files: 2
-2024-12-07 14:06:15,281 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-07 14:06:15,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-07 14:06:15,281 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-07 14:06:15,293 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,293 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-07 14:06:15,293 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-07 14:06:15,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-07 14:06:15,294 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 14:06:15,294 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-07 14:06:15,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,295 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,295 - INFO - number of supporting files: 2
-2024-12-07 14:06:15,295 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-07 14:06:15,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-07 14:06:15,295 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-07 14:06:15,307 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,307 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-07 14:06:15,307 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-07 14:06:15,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-07 14:06:15,307 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 14:06:15,308 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-07 14:06:15,308 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-07 14:06:15,308 - INFO - problem_instance short name: p_h3_0
-2024-12-07 14:06:15,308 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 14:06:15,308 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-07 14:06:15,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,309 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,309 - INFO - number of supporting files: 2
-2024-12-07 14:06:15,309 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-07 14:06:15,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-07 14:06:15,309 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-07 14:06:15,321 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,321 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-07 14:06:15,322 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-07 14:06:15,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-07 14:06:15,322 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 14:06:15,322 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-07 14:06:15,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,323 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,323 - INFO - number of supporting files: 2
-2024-12-07 14:06:15,323 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-07 14:06:15,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-07 14:06:15,323 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-07 14:06:15,335 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,335 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-07 14:06:15,335 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-07 14:06:15,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-07 14:06:15,336 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 14:06:15,336 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-07 14:06:15,336 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-07 14:06:15,336 - INFO - problem_instance short name: planted_solution_0007
-2024-12-07 14:06:15,336 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-07 14:06:15,336 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-07 14:06:15,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,337 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,337 - INFO - number of supporting files: 1
-2024-12-07 14:06:15,337 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-07 14:06:15,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-07 14:06:15,337 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-07 14:06:15,349 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,350 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-07 14:06:15,350 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-07 14:06:15,350 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-07 14:06:15,350 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-07 14:06:15,350 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-07 14:06:15,350 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-07 14:06:15,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,352 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,352 - INFO - number of supporting files: 2
-2024-12-07 14:06:15,352 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-07 14:06:15,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-07 14:06:15,352 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-07 14:06:15,364 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,364 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-07 14:06:15,364 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-07 14:06:15,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-07 14:06:15,364 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 14:06:15,364 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-07 14:06:15,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,365 - INFO - number of orbitals:  119
-2024-12-07 14:06:15,365 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-07 14:06:15,366 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-07 14:06:15,366 - INFO - moving on ...
-2024-12-07 14:06:15,366 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-07 14:06:15,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,367 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,367 - INFO - number of supporting files: 2
-2024-12-07 14:06:15,367 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-07 14:06:15,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-07 14:06:15,367 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-07 14:06:15,378 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,378 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-07 14:06:15,378 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-07 14:06:15,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-07 14:06:15,379 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 14:06:15,379 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-07 14:06:15,379 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-07 14:06:15,379 - INFO - problem_instance short name: V_1
-2024-12-07 14:06:15,379 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 14:06:15,379 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-07 14:06:15,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,380 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,380 - INFO - number of supporting files: 2
-2024-12-07 14:06:15,380 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-07 14:06:15,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-07 14:06:15,380 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-07 14:06:15,391 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,392 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-07 14:06:15,392 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-07 14:06:15,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-07 14:06:15,392 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 14:06:15,392 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-07 14:06:15,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 14:06:15,394 - INFO - attempting to process the Hamiltonian...
-2024-12-07 14:06:15,394 - INFO - number of supporting files: 2
-2024-12-07 14:06:15,394 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-07 14:06:15,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-07 14:06:15,394 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-07 14:06:15,406 - INFO - number of entries in Hamiltonian_features.csv:  195
-2024-12-07 14:06:15,406 - INFO - did NOT find instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 in database.
-2024-12-07 14:06:15,406 - INFO - Processing instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 ...
-2024-12-07 14:06:15,406 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz...
-2024-12-07 14:06:15,411 - INFO - Connected (version 2.0, client 0)
-2024-12-07 14:06:15,921 - INFO - Authentication (publickey) successful!
-2024-12-07 14:06:15,934 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-07 14:06:40,993 - INFO - [chan 0] sftp session closed.
-2024-12-07 14:06:40,994 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-07 14:06:40,994 - INFO - decompressing file fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz...
-2024-12-07 14:06:42,928 - INFO - this script has been running for 76.00 hours.
-2024-12-07 14:06:42,929 - INFO - ===============================================
-2024-12-07 14:06:42,929 - INFO - calculating Hamiltonian features...
-2024-12-07 14:06:42,929 - INFO - reading data from fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771
-2024-12-07 14:06:59,041 - INFO - finished reading FCIDUMP data.
-2024-12-07 14:06:59,041 - INFO - data['NORB']: 88
-2024-12-07 14:06:59,041 - INFO - len(data['H1']): 88
-2024-12-07 14:06:59,041 - INFO - ao2mo.restore...
-2024-12-07 14:06:59,164 - INFO - done.
-2024-12-07 14:06:59,165 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-07 14:06:59,165 - INFO - done.
-2024-12-07 14:06:59,165 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-07 16:01:28,471 - INFO - done.
-2024-12-07 16:01:28,471 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-07 16:13:02,045 - INFO - done.
-2024-12-07 16:13:02,045 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-07 16:14:20,579 - INFO - done.
-2024-12-07 16:14:20,579 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-07 16:14:36,116 - INFO - done.
-2024-12-07 16:14:36,116 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-07 16:14:36,117 - INFO - done.
-2024-12-07 16:14:36,117 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-07 16:14:36,117 - INFO - done.
-2024-12-07 16:14:42,911 - INFO - Hamiltonian features calculation run time (seconds): 7679.982669
-2024-12-07 16:14:42,912 - INFO - wrote df_eigs to file: df_eigs.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.bin
-2024-12-07 16:14:42,912 - INFO - deleting file fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-07 16:14:42,951 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-07 16:14:42,958 - INFO - this script has been running for 78.14 hours.
-2024-12-07 16:14:42,958 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-07 16:14:42,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-07 16:14:42,958 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 16:14:42,958 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-07 16:14:42,958 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-07 16:14:42,958 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-07 16:14:42,958 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 16:14:42,958 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-07 16:14:42,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 16:14:42,960 - INFO - attempting to process the Hamiltonian...
-2024-12-07 16:14:42,960 - INFO - number of supporting files: 2
-2024-12-07 16:14:42,960 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-07 16:14:42,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-07 16:14:42,960 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-07 16:14:42,971 - INFO - number of entries in Hamiltonian_features.csv:  196
-2024-12-07 16:14:42,971 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-07 16:14:42,971 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-07 16:14:42,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-07 16:14:42,971 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 16:14:42,971 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-07 16:14:42,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 16:14:42,972 - INFO - number of orbitals:  116
-2024-12-07 16:14:42,972 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-07 16:14:42,972 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-07 16:14:42,972 - INFO - moving on ...
-2024-12-07 16:14:42,972 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-07 16:14:42,972 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-07 16:14:42,973 - INFO - problem_instance short name: n2_h4_0
-2024-12-07 16:14:42,973 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-07 16:14:42,973 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-07 16:14:42,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 16:14:42,974 - INFO - attempting to process the Hamiltonian...
-2024-12-07 16:14:42,974 - INFO - number of supporting files: 2
-2024-12-07 16:14:42,974 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-07 16:14:42,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-07 16:14:42,974 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-07 16:14:42,984 - INFO - number of entries in Hamiltonian_features.csv:  196
-2024-12-07 16:14:42,984 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-07 16:14:42,984 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-07 16:14:42,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-07 16:14:42,985 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 16:14:42,985 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-07 16:14:42,985 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-07 16:14:42,985 - INFO - problem_instance short name: cl2_0
-2024-12-07 16:14:42,985 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-07 16:14:42,985 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-07 16:14:42,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 16:14:42,986 - INFO - attempting to process the Hamiltonian...
-2024-12-07 16:14:42,986 - INFO - number of supporting files: 2
-2024-12-07 16:14:42,986 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-07 16:14:42,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-07 16:14:42,986 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-07 16:14:42,997 - INFO - number of entries in Hamiltonian_features.csv:  196
-2024-12-07 16:14:42,998 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-07 16:14:42,998 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-07 16:14:42,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-07 16:14:42,998 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 16:14:42,998 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-07 16:14:42,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 16:14:42,999 - INFO - number of orbitals:  118
-2024-12-07 16:14:42,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-07 16:14:42,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-07 16:14:42,999 - INFO - moving on ...
-2024-12-07 16:14:42,999 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-07 16:14:43,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 16:14:43,000 - INFO - attempting to process the Hamiltonian...
-2024-12-07 16:14:43,000 - INFO - number of supporting files: 2
-2024-12-07 16:14:43,000 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-07 16:14:43,000 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-07 16:14:43,000 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-07 16:14:43,010 - INFO - number of entries in Hamiltonian_features.csv:  196
-2024-12-07 16:14:43,010 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-07 16:14:43,010 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-07 16:14:43,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-07 16:14:43,010 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 16:14:43,011 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-07 16:14:43,011 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-07 16:14:43,011 - INFO - problem_instance short name: c_o2_0
-2024-12-07 16:14:43,011 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 16:14:43,011 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-07 16:14:43,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 16:14:43,012 - INFO - attempting to process the Hamiltonian...
-2024-12-07 16:14:43,012 - INFO - number of supporting files: 2
-2024-12-07 16:14:43,012 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-07 16:14:43,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-07 16:14:43,012 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-07 16:14:43,022 - INFO - number of entries in Hamiltonian_features.csv:  196
-2024-12-07 16:14:43,022 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-07 16:14:43,022 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-07 16:14:43,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-07 16:14:43,022 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 16:14:43,022 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-07 16:14:43,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 16:14:43,023 - INFO - attempting to process the Hamiltonian...
-2024-12-07 16:14:43,024 - INFO - number of supporting files: 2
-2024-12-07 16:14:43,024 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-07 16:14:43,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-07 16:14:43,024 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-07 16:14:43,034 - INFO - number of entries in Hamiltonian_features.csv:  196
-2024-12-07 16:14:43,034 - INFO - did NOT find instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 in database.
-2024-12-07 16:14:43,034 - INFO - Processing instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 ...
-2024-12-07 16:14:43,034 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz...
-2024-12-07 16:14:43,038 - INFO - Connected (version 2.0, client 0)
-2024-12-07 16:14:43,526 - INFO - Authentication (publickey) successful!
-2024-12-07 16:14:43,538 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-07 16:14:58,532 - INFO - [chan 0] sftp session closed.
-2024-12-07 16:14:58,532 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-07 16:14:58,532 - INFO - decompressing file fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz...
-2024-12-07 16:14:59,921 - INFO - this script has been running for 78.14 hours.
-2024-12-07 16:14:59,921 - INFO - ===============================================
-2024-12-07 16:14:59,921 - INFO - calculating Hamiltonian features...
-2024-12-07 16:14:59,921 - INFO - reading data from fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9
-2024-12-07 16:15:11,488 - INFO - finished reading FCIDUMP data.
-2024-12-07 16:15:11,488 - INFO - data['NORB']: 90
-2024-12-07 16:15:11,488 - INFO - len(data['H1']): 90
-2024-12-07 16:15:11,488 - INFO - ao2mo.restore...
-2024-12-07 16:15:11,580 - INFO - done.
-2024-12-07 16:15:11,581 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-07 16:15:11,581 - INFO - done.
-2024-12-07 16:15:11,581 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-07 17:33:28,722 - INFO - done.
-2024-12-07 17:33:28,723 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-07 17:39:10,800 - INFO - done.
-2024-12-07 17:39:10,800 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-07 17:39:52,269 - INFO - done.
-2024-12-07 17:39:52,269 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-07 17:40:09,440 - INFO - done.
-2024-12-07 17:40:09,440 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-07 17:40:09,441 - INFO - done.
-2024-12-07 17:40:09,441 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-07 17:40:09,441 - INFO - done.
-2024-12-07 17:40:13,031 - INFO - Hamiltonian features calculation run time (seconds): 5113.110274
-2024-12-07 17:40:13,032 - INFO - wrote df_eigs to file: df_eigs.0ffd2489-0b50-49b6-9e6e-7607f14102a9.bin
-2024-12-07 17:40:13,032 - INFO - deleting file fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-07 17:40:13,062 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-07 17:40:13,064 - INFO - this script has been running for 79.56 hours.
-2024-12-07 17:40:13,064 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-07 17:40:13,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-07 17:40:13,064 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 17:40:13,064 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-07 17:40:13,064 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-07 17:40:13,064 - INFO - problem_instance short name: li2_0
-2024-12-07 17:40:13,064 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-07 17:40:13,064 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-07 17:40:13,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 17:40:13,066 - INFO - attempting to process the Hamiltonian...
-2024-12-07 17:40:13,066 - INFO - number of supporting files: 2
-2024-12-07 17:40:13,066 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-07 17:40:13,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-07 17:40:13,066 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-07 17:40:13,077 - INFO - number of entries in Hamiltonian_features.csv:  197
-2024-12-07 17:40:13,078 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-07 17:40:13,078 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-07 17:40:13,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-07 17:40:13,078 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 17:40:13,078 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-07 17:40:13,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 17:40:13,079 - INFO - number of orbitals:  110
-2024-12-07 17:40:13,079 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-07 17:40:13,079 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-07 17:40:13,079 - INFO - moving on ...
-2024-12-07 17:40:13,079 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-07 17:40:13,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 17:40:13,081 - INFO - attempting to process the Hamiltonian...
-2024-12-07 17:40:13,081 - INFO - number of supporting files: 2
-2024-12-07 17:40:13,081 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-07 17:40:13,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-07 17:40:13,081 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-07 17:40:13,092 - INFO - number of entries in Hamiltonian_features.csv:  197
-2024-12-07 17:40:13,092 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-07 17:40:13,092 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-07 17:40:13,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-07 17:40:13,092 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 17:40:13,092 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-07 17:40:13,092 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-07 17:40:13,092 - INFO - problem_instance short name: VO_0
-2024-12-07 17:40:13,092 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-07 17:40:13,092 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-07 17:40:13,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 17:40:13,094 - INFO - attempting to process the Hamiltonian...
-2024-12-07 17:40:13,094 - INFO - number of supporting files: 2
-2024-12-07 17:40:13,094 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-07 17:40:13,094 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-07 17:40:13,094 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-07 17:40:13,105 - INFO - number of entries in Hamiltonian_features.csv:  197
-2024-12-07 17:40:13,105 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-07 17:40:13,105 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-07 17:40:13,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-07 17:40:13,105 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 17:40:13,105 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-07 17:40:13,106 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-07 17:40:13,106 - INFO - problem_instance short name: V_0
-2024-12-07 17:40:13,106 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 17:40:13,106 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-07 17:40:13,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 17:40:13,107 - INFO - attempting to process the Hamiltonian...
-2024-12-07 17:40:13,107 - INFO - number of supporting files: 2
-2024-12-07 17:40:13,107 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-07 17:40:13,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-07 17:40:13,107 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-07 17:40:13,118 - INFO - number of entries in Hamiltonian_features.csv:  197
-2024-12-07 17:40:13,119 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-07 17:40:13,119 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-07 17:40:13,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-07 17:40:13,119 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 17:40:13,119 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-07 17:40:13,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 17:40:13,120 - INFO - attempting to process the Hamiltonian...
-2024-12-07 17:40:13,120 - INFO - number of supporting files: 2
-2024-12-07 17:40:13,120 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-07 17:40:13,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-07 17:40:13,120 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-07 17:40:13,131 - INFO - number of entries in Hamiltonian_features.csv:  197
-2024-12-07 17:40:13,131 - INFO - did NOT find instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd in database.
-2024-12-07 17:40:13,131 - INFO - Processing instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd ...
-2024-12-07 17:40:13,131 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz...
-2024-12-07 17:40:13,138 - INFO - Connected (version 2.0, client 0)
-2024-12-07 17:40:13,662 - INFO - Authentication (publickey) successful!
-2024-12-07 17:40:13,675 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-07 17:40:52,176 - INFO - [chan 0] sftp session closed.
-2024-12-07 17:40:52,177 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-07 17:40:52,177 - INFO - decompressing file fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz...
-2024-12-07 17:40:54,690 - INFO - this script has been running for 79.57 hours.
-2024-12-07 17:40:54,690 - INFO - ===============================================
-2024-12-07 17:40:54,691 - INFO - calculating Hamiltonian features...
-2024-12-07 17:40:54,691 - INFO - reading data from fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd
-2024-12-07 17:41:16,124 - INFO - finished reading FCIDUMP data.
-2024-12-07 17:41:16,124 - INFO - data['NORB']: 88
-2024-12-07 17:41:16,124 - INFO - len(data['H1']): 88
-2024-12-07 17:41:16,124 - INFO - ao2mo.restore...
-2024-12-07 17:41:16,255 - INFO - done.
-2024-12-07 17:41:16,255 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-07 17:41:16,255 - INFO - done.
-2024-12-07 17:41:16,255 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-07 20:04:11,773 - INFO - done.
-2024-12-07 20:04:11,773 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-07 20:15:23,349 - INFO - done.
-2024-12-07 20:15:23,350 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-07 20:16:46,517 - INFO - done.
-2024-12-07 20:16:46,517 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-07 20:17:01,804 - INFO - done.
-2024-12-07 20:17:01,804 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-07 20:17:01,806 - INFO - done.
-2024-12-07 20:17:01,806 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-07 20:17:01,806 - INFO - done.
-2024-12-07 20:17:08,693 - INFO - Hamiltonian features calculation run time (seconds): 9374.002271
-2024-12-07 20:17:08,693 - INFO - wrote df_eigs to file: df_eigs.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.bin
-2024-12-07 20:17:08,693 - INFO - deleting file fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-07 20:17:08,749 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-07 20:17:08,756 - INFO - this script has been running for 82.18 hours.
-2024-12-07 20:17:08,756 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-07 20:17:08,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-07 20:17:08,756 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 20:17:08,756 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-07 20:17:08,757 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-07 20:17:08,757 - INFO - problem_instance short name: Cu_0
-2024-12-07 20:17:08,757 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 20:17:08,757 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-07 20:17:08,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 20:17:08,758 - INFO - attempting to process the Hamiltonian...
-2024-12-07 20:17:08,758 - INFO - number of supporting files: 2
-2024-12-07 20:17:08,758 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-07 20:17:08,758 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-07 20:17:08,758 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-07 20:17:08,772 - INFO - number of entries in Hamiltonian_features.csv:  198
-2024-12-07 20:17:08,772 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-07 20:17:08,772 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-07 20:17:08,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-07 20:17:08,772 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 20:17:08,772 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-07 20:17:08,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 20:17:08,774 - INFO - attempting to process the Hamiltonian...
-2024-12-07 20:17:08,774 - INFO - number of supporting files: 2
-2024-12-07 20:17:08,774 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-07 20:17:08,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-07 20:17:08,774 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-07 20:17:08,787 - INFO - number of entries in Hamiltonian_features.csv:  198
-2024-12-07 20:17:08,787 - INFO - did NOT find instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 in database.
-2024-12-07 20:17:08,787 - INFO - Processing instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 ...
-2024-12-07 20:17:08,787 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz...
-2024-12-07 20:17:08,791 - INFO - Connected (version 2.0, client 0)
-2024-12-07 20:17:09,319 - INFO - Authentication (publickey) successful!
-2024-12-07 20:17:09,333 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-07 20:17:32,661 - INFO - [chan 0] sftp session closed.
-2024-12-07 20:17:32,661 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-07 20:17:32,661 - INFO - decompressing file fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz...
-2024-12-07 20:17:34,536 - INFO - this script has been running for 82.19 hours.
-2024-12-07 20:17:34,536 - INFO - ===============================================
-2024-12-07 20:17:34,536 - INFO - calculating Hamiltonian features...
-2024-12-07 20:17:34,536 - INFO - reading data from fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16
-2024-12-07 20:17:50,390 - INFO - finished reading FCIDUMP data.
-2024-12-07 20:17:50,390 - INFO - data['NORB']: 88
-2024-12-07 20:17:50,390 - INFO - len(data['H1']): 88
-2024-12-07 20:17:50,390 - INFO - ao2mo.restore...
-2024-12-07 20:17:50,513 - INFO - done.
-2024-12-07 20:17:50,513 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-07 20:17:50,513 - INFO - done.
-2024-12-07 20:17:50,513 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-07 22:21:04,946 - INFO - done.
-2024-12-07 22:21:04,946 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-07 22:33:47,390 - INFO - done.
-2024-12-07 22:33:47,390 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-07 22:35:21,169 - INFO - done.
-2024-12-07 22:35:21,170 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-07 22:35:37,219 - INFO - done.
-2024-12-07 22:35:37,219 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-07 22:35:37,220 - INFO - done.
-2024-12-07 22:35:37,220 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-07 22:35:37,220 - INFO - done.
-2024-12-07 22:35:44,492 - INFO - Hamiltonian features calculation run time (seconds): 8289.955709
-2024-12-07 22:35:44,492 - INFO - wrote df_eigs to file: df_eigs.e304b6b5-b820-470d-a8b5-92d6354abd16.bin
-2024-12-07 22:35:44,492 - INFO - deleting file fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-07 22:35:44,539 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-07 22:35:44,546 - INFO - this script has been running for 84.49 hours.
-2024-12-07 22:35:44,546 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-07 22:35:44,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-07 22:35:44,546 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,546 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-07 22:35:44,546 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-07 22:35:44,547 - INFO - problem_instance short name: li_f_0
-2024-12-07 22:35:44,547 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-07 22:35:44,547 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-07 22:35:44,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,548 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,548 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,548 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-07 22:35:44,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-07 22:35:44,548 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-07 22:35:44,562 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,563 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,563 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-07 22:35:44,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-07 22:35:44,563 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,563 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-07 22:35:44,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,564 - INFO - number of orbitals:  110
-2024-12-07 22:35:44,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-07 22:35:44,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-07 22:35:44,564 - INFO - moving on ...
-2024-12-07 22:35:44,564 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-07 22:35:44,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,565 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,565 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,565 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-07 22:35:44,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-07 22:35:44,565 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-07 22:35:44,579 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,579 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,580 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-07 22:35:44,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-07 22:35:44,580 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,580 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-07 22:35:44,580 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-07 22:35:44,580 - INFO - problem_instance short name: f2_0
-2024-12-07 22:35:44,580 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-07 22:35:44,580 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-07 22:35:44,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,581 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,581 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,581 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-07 22:35:44,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-07 22:35:44,582 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-07 22:35:44,595 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,595 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,596 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-07 22:35:44,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-07 22:35:44,596 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,596 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-07 22:35:44,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,597 - INFO - number of orbitals:  110
-2024-12-07 22:35:44,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-07 22:35:44,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-07 22:35:44,597 - INFO - moving on ...
-2024-12-07 22:35:44,597 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-07 22:35:44,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,598 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,598 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,598 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-07 22:35:44,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-07 22:35:44,598 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-07 22:35:44,612 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,612 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,612 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-07 22:35:44,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-07 22:35:44,612 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,612 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-07 22:35:44,612 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-07 22:35:44,612 - INFO - problem_instance short name: n_h3_0
-2024-12-07 22:35:44,612 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 22:35:44,612 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-07 22:35:44,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,614 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,614 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,614 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-07 22:35:44,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-07 22:35:44,614 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-07 22:35:44,627 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,628 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,628 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-07 22:35:44,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-07 22:35:44,628 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,628 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-07 22:35:44,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,629 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,629 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,629 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-07 22:35:44,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-07 22:35:44,629 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-07 22:35:44,643 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,643 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,643 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-07 22:35:44,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-07 22:35:44,643 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,643 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-07 22:35:44,643 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-07 22:35:44,643 - INFO - problem_instance short name: n2_0
-2024-12-07 22:35:44,643 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-07 22:35:44,643 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-07 22:35:44,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,645 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,645 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,645 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-07 22:35:44,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-07 22:35:44,645 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-07 22:35:44,658 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,659 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,659 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-07 22:35:44,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-07 22:35:44,659 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,659 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-07 22:35:44,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,660 - INFO - number of orbitals:  110
-2024-12-07 22:35:44,660 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-07 22:35:44,660 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-07 22:35:44,660 - INFO - moving on ...
-2024-12-07 22:35:44,660 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-07 22:35:44,661 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,661 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,661 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,661 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-07 22:35:44,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-07 22:35:44,662 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-07 22:35:44,675 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,675 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,675 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-07 22:35:44,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-07 22:35:44,675 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,675 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-07 22:35:44,675 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-07 22:35:44,675 - INFO - problem_instance short name: na2_0
-2024-12-07 22:35:44,675 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-07 22:35:44,675 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-07 22:35:44,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,677 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,677 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,677 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-07 22:35:44,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-07 22:35:44,677 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-07 22:35:44,690 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,691 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,691 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-07 22:35:44,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-07 22:35:44,691 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,691 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-07 22:35:44,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,692 - INFO - number of orbitals:  118
-2024-12-07 22:35:44,692 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-07 22:35:44,692 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-07 22:35:44,692 - INFO - moving on ...
-2024-12-07 22:35:44,692 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-07 22:35:44,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,693 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,693 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,693 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-07 22:35:44,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-07 22:35:44,693 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-07 22:35:44,707 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,707 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,707 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-07 22:35:44,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-07 22:35:44,707 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,707 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-07 22:35:44,707 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-07 22:35:44,707 - INFO - problem_instance short name: Mn_0
-2024-12-07 22:35:44,707 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-07 22:35:44,707 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-07 22:35:44,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,709 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,709 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,709 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-07 22:35:44,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-07 22:35:44,709 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-07 22:35:44,722 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,722 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-07 22:35:44,722 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-07 22:35:44,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-07 22:35:44,722 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-07 22:35:44,722 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-07 22:35:44,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-07 22:35:44,723 - INFO - attempting to process the Hamiltonian...
-2024-12-07 22:35:44,723 - INFO - number of supporting files: 2
-2024-12-07 22:35:44,723 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-07 22:35:44,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-07 22:35:44,724 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-07 22:35:44,737 - INFO - number of entries in Hamiltonian_features.csv:  199
-2024-12-07 22:35:44,737 - INFO - did NOT find instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c in database.
-2024-12-07 22:35:44,737 - INFO - Processing instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c ...
-2024-12-07 22:35:44,737 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz...
-2024-12-07 22:35:47,162 - INFO - Connected (version 2.0, client 0)
-2024-12-07 22:35:48,076 - INFO - Authentication (publickey) successful!
-2024-12-07 22:35:48,098 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-07 22:37:27,136 - INFO - [chan 0] sftp session closed.
-2024-12-07 22:37:27,136 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-07 22:37:27,136 - INFO - decompressing file fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz...
-2024-12-07 22:37:31,370 - INFO - this script has been running for 84.52 hours.
-2024-12-07 22:37:31,371 - INFO - ===============================================
-2024-12-07 22:37:31,371 - INFO - calculating Hamiltonian features...
-2024-12-07 22:37:31,371 - INFO - reading data from fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c
-2024-12-07 22:38:05,844 - INFO - finished reading FCIDUMP data.
-2024-12-07 22:38:05,845 - INFO - data['NORB']: 88
-2024-12-07 22:38:05,845 - INFO - len(data['H1']): 88
-2024-12-07 22:38:05,845 - INFO - ao2mo.restore...
-2024-12-07 22:38:05,972 - INFO - done.
-2024-12-07 22:38:05,972 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-07 22:38:05,972 - INFO - done.
-2024-12-07 22:38:05,973 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-08 02:48:55,847 - INFO - done.
-2024-12-08 02:48:55,847 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-08 03:12:19,188 - INFO - done.
-2024-12-08 03:12:19,188 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-08 03:15:09,412 - INFO - done.
-2024-12-08 03:15:09,412 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-08 03:15:25,203 - INFO - done.
-2024-12-08 03:15:25,204 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-08 03:15:25,205 - INFO - done.
-2024-12-08 03:15:25,205 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-08 03:15:25,205 - INFO - done.
-2024-12-08 03:15:39,156 - INFO - Hamiltonian features calculation run time (seconds): 16687.785274
-2024-12-08 03:15:39,156 - INFO - wrote df_eigs to file: df_eigs.07c9da30-e172-4183-a8af-301628b75f1c.bin
-2024-12-08 03:15:39,156 - INFO - deleting file fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-08 03:15:39,246 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-08 03:15:39,254 - INFO - this script has been running for 89.15 hours.
-2024-12-08 03:15:39,254 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-08 03:15:39,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-08 03:15:39,254 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 03:15:39,254 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-08 03:15:39,254 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-08 03:15:39,255 - INFO - problem_instance short name: li_h_0
-2024-12-08 03:15:39,255 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 03:15:39,255 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-08 03:15:39,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,256 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,256 - INFO - number of supporting files: 2
-2024-12-08 03:15:39,256 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-08 03:15:39,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-08 03:15:39,256 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-08 03:15:39,271 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,271 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,271 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-08 03:15:39,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-08 03:15:39,271 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 03:15:39,271 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-08 03:15:39,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,272 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,273 - INFO - number of supporting files: 2
-2024-12-08 03:15:39,273 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-08 03:15:39,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-08 03:15:39,273 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-08 03:15:39,287 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,287 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,287 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-08 03:15:39,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-08 03:15:39,288 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 03:15:39,288 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-08 03:15:39,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,289 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,289 - INFO - number of supporting files: 2
-2024-12-08 03:15:39,289 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-08 03:15:39,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-08 03:15:39,289 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-08 03:15:39,303 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,303 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,303 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-08 03:15:39,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-08 03:15:39,303 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 03:15:39,303 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-08 03:15:39,304 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-08 03:15:39,304 - INFO - problem_instance short name: planted_solution_0006
-2024-12-08 03:15:39,304 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 03:15:39,304 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-08 03:15:39,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,305 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,305 - INFO - number of supporting files: 1
-2024-12-08 03:15:39,305 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-08 03:15:39,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-08 03:15:39,305 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-08 03:15:39,319 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,320 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,320 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-08 03:15:39,320 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-08 03:15:39,320 - INFO - problem_instance short name: mo_n2
-2024-12-08 03:15:39,320 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-08 03:15:39,320 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-08 03:15:39,320 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 03:15:39,320 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 03:15:39,320 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 03:15:39,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,322 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,322 - INFO - number of supporting files: 1
-2024-12-08 03:15:39,322 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-08 03:15:39,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-08 03:15:39,322 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-08 03:15:39,337 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,337 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,337 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-08 03:15:39,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 03:15:39,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 03:15:39,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 03:15:39,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,340 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,340 - INFO - number of supporting files: 1
-2024-12-08 03:15:39,340 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-08 03:15:39,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-08 03:15:39,340 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-08 03:15:39,354 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,354 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,354 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-08 03:15:39,354 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 03:15:39,355 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 03:15:39,355 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 03:15:39,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,356 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,357 - INFO - number of supporting files: 1
-2024-12-08 03:15:39,357 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-08 03:15:39,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-08 03:15:39,357 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-08 03:15:39,370 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,371 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,371 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-08 03:15:39,371 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 03:15:39,371 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 03:15:39,371 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 03:15:39,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,373 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,373 - INFO - number of supporting files: 1
-2024-12-08 03:15:39,373 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-08 03:15:39,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-08 03:15:39,373 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-08 03:15:39,388 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,389 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,389 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-08 03:15:39,389 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-08 03:15:39,389 - INFO - problem_instance short name: O_1
-2024-12-08 03:15:39,389 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 03:15:39,389 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-08 03:15:39,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,390 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,390 - INFO - number of supporting files: 2
-2024-12-08 03:15:39,391 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-08 03:15:39,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-08 03:15:39,391 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-08 03:15:39,405 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,405 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,405 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-08 03:15:39,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-08 03:15:39,405 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 03:15:39,405 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-08 03:15:39,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,407 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,407 - INFO - number of supporting files: 2
-2024-12-08 03:15:39,407 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-08 03:15:39,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-08 03:15:39,407 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-08 03:15:39,421 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,421 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,421 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-08 03:15:39,421 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-08 03:15:39,421 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 03:15:39,422 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-08 03:15:39,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,423 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,423 - INFO - number of supporting files: 2
-2024-12-08 03:15:39,423 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-08 03:15:39,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-08 03:15:39,423 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-08 03:15:39,437 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,437 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,437 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-08 03:15:39,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-08 03:15:39,437 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 03:15:39,437 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-08 03:15:39,437 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-08 03:15:39,437 - INFO - problem_instance short name: Sc_0
-2024-12-08 03:15:39,437 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 03:15:39,437 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-08 03:15:39,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,439 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,439 - INFO - number of supporting files: 2
-2024-12-08 03:15:39,439 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-08 03:15:39,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-08 03:15:39,439 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-08 03:15:39,453 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,453 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-08 03:15:39,453 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-08 03:15:39,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-08 03:15:39,453 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 03:15:39,453 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-08 03:15:39,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,455 - INFO - number of orbitals:  135
-2024-12-08 03:15:39,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-08 03:15:39,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 03:15:39,455 - INFO - moving on ...
-2024-12-08 03:15:39,455 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-08 03:15:39,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 03:15:39,456 - INFO - attempting to process the Hamiltonian...
-2024-12-08 03:15:39,456 - INFO - number of supporting files: 2
-2024-12-08 03:15:39,456 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-08 03:15:39,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-08 03:15:39,456 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-08 03:15:39,470 - INFO - number of entries in Hamiltonian_features.csv:  200
-2024-12-08 03:15:39,471 - INFO - did NOT find instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 in database.
-2024-12-08 03:15:39,471 - INFO - Processing instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 ...
-2024-12-08 03:15:39,471 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz...
-2024-12-08 03:15:39,476 - INFO - Connected (version 2.0, client 0)
-2024-12-08 03:15:39,980 - INFO - Authentication (publickey) successful!
-2024-12-08 03:15:39,994 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-08 03:15:47,023 - INFO - [chan 0] sftp session closed.
-2024-12-08 03:15:47,023 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-08 03:15:47,023 - INFO - decompressing file fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz...
-2024-12-08 03:15:48,059 - INFO - this script has been running for 89.16 hours.
-2024-12-08 03:15:48,059 - INFO - ===============================================
-2024-12-08 03:15:48,059 - INFO - calculating Hamiltonian features...
-2024-12-08 03:15:48,059 - INFO - reading data from fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080
-2024-12-08 03:15:56,650 - INFO - finished reading FCIDUMP data.
-2024-12-08 03:15:56,651 - INFO - data['NORB']: 88
-2024-12-08 03:15:56,651 - INFO - len(data['H1']): 88
-2024-12-08 03:15:56,651 - INFO - ao2mo.restore...
-2024-12-08 03:15:56,775 - INFO - done.
-2024-12-08 03:15:56,775 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-08 03:15:56,775 - INFO - done.
-2024-12-08 03:15:56,775 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-08 04:11:52,078 - INFO - done.
-2024-12-08 04:11:52,079 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-08 04:14:58,191 - INFO - done.
-2024-12-08 04:14:58,191 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-08 04:15:15,326 - INFO - done.
-2024-12-08 04:15:15,326 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-08 04:15:31,413 - INFO - done.
-2024-12-08 04:15:31,413 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-08 04:15:31,414 - INFO - done.
-2024-12-08 04:15:31,414 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-08 04:15:31,414 - INFO - done.
-2024-12-08 04:15:33,600 - INFO - Hamiltonian features calculation run time (seconds): 3585.540639
-2024-12-08 04:15:33,600 - INFO - wrote df_eigs to file: df_eigs.83008296-5ec9-4af7-a03b-372025fad080.bin
-2024-12-08 04:15:33,601 - INFO - deleting file fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-08 04:15:33,623 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-08 04:15:33,630 - INFO - this script has been running for 90.15 hours.
-2024-12-08 04:15:33,630 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-08 04:15:33,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-08 04:15:33,630 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 04:15:33,630 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-08 04:15:33,630 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-08 04:15:33,630 - INFO - problem_instance short name: TiO_0
-2024-12-08 04:15:33,630 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 04:15:33,630 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-08 04:15:33,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,632 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,632 - INFO - number of supporting files: 2
-2024-12-08 04:15:33,632 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-08 04:15:33,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-08 04:15:33,632 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-08 04:15:33,646 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,646 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,646 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-08 04:15:33,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-08 04:15:33,647 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 04:15:33,647 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-08 04:15:33,647 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-08 04:15:33,647 - INFO - problem_instance short name: cr_dimer
-2024-12-08 04:15:33,647 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-08 04:15:33,647 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-08 04:15:33,647 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,647 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,647 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,649 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,649 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,649 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-08 04:15:33,649 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-08 04:15:33,649 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-08 04:15:33,663 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,663 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,663 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-08 04:15:33,663 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,663 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,663 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,665 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,665 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,665 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-08 04:15:33,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-08 04:15:33,665 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-08 04:15:33,678 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,679 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,679 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-08 04:15:33,679 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,681 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,681 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,681 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-08 04:15:33,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-08 04:15:33,681 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-08 04:15:33,694 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,695 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,695 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-08 04:15:33,695 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,695 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,695 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,697 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,697 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,697 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-08 04:15:33,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-08 04:15:33,697 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-08 04:15:33,711 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,711 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,712 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-08 04:15:33,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,714 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,714 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,714 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-08 04:15:33,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-08 04:15:33,714 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-08 04:15:33,730 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,731 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,731 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-08 04:15:33,731 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,731 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,731 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,733 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,733 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,733 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-08 04:15:33,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-08 04:15:33,733 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-08 04:15:33,747 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,747 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,747 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-08 04:15:33,747 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,748 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,748 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,749 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,749 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,750 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-08 04:15:33,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-08 04:15:33,750 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-08 04:15:33,763 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,763 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,763 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-08 04:15:33,763 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,765 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,765 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,765 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-08 04:15:33,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-08 04:15:33,765 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-08 04:15:33,778 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,778 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,779 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-08 04:15:33,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,780 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,781 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,781 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-08 04:15:33,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-08 04:15:33,781 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-08 04:15:33,794 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,795 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,795 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-08 04:15:33,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,797 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,797 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,797 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-08 04:15:33,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-08 04:15:33,797 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-08 04:15:33,811 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,811 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,811 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-08 04:15:33,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,813 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,813 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,813 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-08 04:15:33,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-08 04:15:33,813 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-08 04:15:33,828 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,828 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,828 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-08 04:15:33,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 04:15:33,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 04:15:33,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 04:15:33,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,830 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,830 - INFO - number of supporting files: 1
-2024-12-08 04:15:33,830 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-08 04:15:33,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-08 04:15:33,830 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-08 04:15:33,843 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,844 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,844 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-08 04:15:33,844 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-08 04:15:33,844 - INFO - problem_instance short name: CrO_0
-2024-12-08 04:15:33,844 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 04:15:33,844 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-08 04:15:33,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,845 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,846 - INFO - number of supporting files: 2
-2024-12-08 04:15:33,846 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-08 04:15:33,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-08 04:15:33,846 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-08 04:15:33,859 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,859 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,859 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-08 04:15:33,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-08 04:15:33,859 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 04:15:33,859 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-08 04:15:33,859 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-08 04:15:33,859 - INFO - problem_instance short name: ScO_0
-2024-12-08 04:15:33,859 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 04:15:33,859 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-08 04:15:33,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,861 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,861 - INFO - number of supporting files: 2
-2024-12-08 04:15:33,861 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-08 04:15:33,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-08 04:15:33,861 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-08 04:15:33,875 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,876 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,876 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-08 04:15:33,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-08 04:15:33,876 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 04:15:33,876 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-08 04:15:33,876 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-08 04:15:33,876 - INFO - problem_instance short name: Fe_0
-2024-12-08 04:15:33,876 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 04:15:33,876 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-08 04:15:33,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,878 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,878 - INFO - number of supporting files: 2
-2024-12-08 04:15:33,878 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-08 04:15:33,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-08 04:15:33,878 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-08 04:15:33,891 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,892 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-08 04:15:33,892 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-08 04:15:33,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-08 04:15:33,892 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 04:15:33,892 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-08 04:15:33,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 04:15:33,893 - INFO - attempting to process the Hamiltonian...
-2024-12-08 04:15:33,893 - INFO - number of supporting files: 2
-2024-12-08 04:15:33,893 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-08 04:15:33,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-08 04:15:33,893 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-08 04:15:33,907 - INFO - number of entries in Hamiltonian_features.csv:  201
-2024-12-08 04:15:33,907 - INFO - did NOT find instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 in database.
-2024-12-08 04:15:33,907 - INFO - Processing instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 ...
-2024-12-08 04:15:33,907 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz...
-2024-12-08 04:15:33,912 - INFO - Connected (version 2.0, client 0)
-2024-12-08 04:15:34,433 - INFO - Authentication (publickey) successful!
-2024-12-08 04:15:34,447 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-08 04:17:21,436 - INFO - [chan 0] sftp session closed.
-2024-12-08 04:17:21,436 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-08 04:17:21,436 - INFO - decompressing file fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz...
-2024-12-08 04:17:25,318 - INFO - this script has been running for 90.18 hours.
-2024-12-08 04:17:25,318 - INFO - ===============================================
-2024-12-08 04:17:25,319 - INFO - calculating Hamiltonian features...
-2024-12-08 04:17:25,319 - INFO - reading data from fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5
-2024-12-08 04:17:58,286 - INFO - finished reading FCIDUMP data.
-2024-12-08 04:17:58,286 - INFO - data['NORB']: 88
-2024-12-08 04:17:58,286 - INFO - len(data['H1']): 88
-2024-12-08 04:17:58,286 - INFO - ao2mo.restore...
-2024-12-08 04:17:58,405 - INFO - done.
-2024-12-08 04:17:58,405 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-08 04:17:58,405 - INFO - done.
-2024-12-08 04:17:58,405 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-08 07:45:11,766 - INFO - done.
-2024-12-08 07:45:11,766 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-08 07:51:56,391 - INFO - done.
-2024-12-08 07:51:56,391 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-08 07:52:44,179 - INFO - done.
-2024-12-08 07:52:44,180 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-08 07:52:59,448 - INFO - done.
-2024-12-08 07:52:59,449 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-08 07:52:59,449 - INFO - done.
-2024-12-08 07:52:59,449 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-08 07:52:59,449 - INFO - done.
-2024-12-08 07:53:04,683 - INFO - Hamiltonian features calculation run time (seconds): 12939.364074
-2024-12-08 07:53:04,683 - INFO - wrote df_eigs to file: df_eigs.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.bin
-2024-12-08 07:53:04,683 - INFO - deleting file fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-08 07:53:04,771 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-08 07:53:04,779 - INFO - this script has been running for 93.78 hours.
-2024-12-08 07:53:04,779 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-08 07:53:04,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-08 07:53:04,779 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 07:53:04,779 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-08 07:53:04,779 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-08 07:53:04,779 - INFO - problem_instance short name: planted_solution_0004
-2024-12-08 07:53:04,779 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 07:53:04,779 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-08 07:53:04,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,781 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,781 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,781 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-08 07:53:04,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-08 07:53:04,781 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-08 07:53:04,794 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,794 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,794 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-08 07:53:04,795 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-08 07:53:04,795 - INFO - problem_instance short name: h2_s_0
-2024-12-08 07:53:04,795 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 07:53:04,795 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-08 07:53:04,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,796 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,796 - INFO - number of supporting files: 2
-2024-12-08 07:53:04,796 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-08 07:53:04,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-08 07:53:04,796 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-08 07:53:04,810 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,810 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,810 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-08 07:53:04,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-08 07:53:04,810 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 07:53:04,810 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-08 07:53:04,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,811 - INFO - number of orbitals:  119
-2024-12-08 07:53:04,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-08 07:53:04,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 07:53:04,811 - INFO - moving on ...
-2024-12-08 07:53:04,812 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-08 07:53:04,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,813 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,813 - INFO - number of supporting files: 2
-2024-12-08 07:53:04,813 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-08 07:53:04,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-08 07:53:04,813 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-08 07:53:04,826 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,826 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,827 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-08 07:53:04,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-08 07:53:04,827 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 07:53:04,827 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-08 07:53:04,827 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-08 07:53:04,827 - INFO - problem_instance short name: mo2_n2
-2024-12-08 07:53:04,827 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 07:53:04,827 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-08 07:53:04,827 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,827 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,827 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,828 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,829 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,829 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,829 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-08 07:53:04,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-08 07:53:04,829 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-08 07:53:04,843 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,843 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,843 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-08 07:53:04,843 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,843 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,844 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,845 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,845 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,845 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-08 07:53:04,845 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-08 07:53:04,845 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-08 07:53:04,859 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,859 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,859 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-08 07:53:04,859 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,861 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,861 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,861 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-08 07:53:04,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-08 07:53:04,862 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-08 07:53:04,875 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,875 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,875 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-08 07:53:04,875 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-08 07:53:04,875 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-08 07:53:04,875 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 07:53:04,876 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-08 07:53:04,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,877 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,877 - INFO - number of supporting files: 2
-2024-12-08 07:53:04,877 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-08 07:53:04,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-08 07:53:04,877 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-08 07:53:04,890 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,891 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,891 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-08 07:53:04,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-08 07:53:04,891 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 07:53:04,891 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-08 07:53:04,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,892 - INFO - number of orbitals:  106
-2024-12-08 07:53:04,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-08 07:53:04,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 07:53:04,892 - INFO - moving on ...
-2024-12-08 07:53:04,892 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-08 07:53:04,893 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-08 07:53:04,893 - INFO - problem_instance short name: ru_macho
-2024-12-08 07:53:04,893 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-08 07:53:04,893 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-08 07:53:04,893 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,893 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,893 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,895 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,895 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,895 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-08 07:53:04,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-08 07:53:04,895 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-08 07:53:04,908 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,909 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,909 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-08 07:53:04,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,909 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,909 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,911 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,911 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,911 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-08 07:53:04,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-08 07:53:04,911 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-08 07:53:04,924 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,924 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,924 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-08 07:53:04,924 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,925 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,926 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,926 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,927 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-08 07:53:04,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-08 07:53:04,927 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-08 07:53:04,940 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,941 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,941 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-08 07:53:04,941 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,941 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,941 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,943 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,943 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,943 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-08 07:53:04,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-08 07:53:04,943 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-08 07:53:04,956 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,957 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,957 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-08 07:53:04,957 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,957 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,957 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,959 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,959 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,959 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-08 07:53:04,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-08 07:53:04,959 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-08 07:53:04,972 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,972 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,972 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-08 07:53:04,972 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,972 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,973 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,974 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,974 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,974 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-08 07:53:04,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-08 07:53:04,974 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-08 07:53:04,987 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:04,987 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-08 07:53:04,987 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-08 07:53:04,987 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:04,988 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:04,988 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:04,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:04,989 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:04,989 - INFO - number of supporting files: 1
-2024-12-08 07:53:04,989 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-08 07:53:04,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-08 07:53:04,989 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-08 07:53:05,003 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:05,003 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-08 07:53:05,003 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-08 07:53:05,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:05,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:05,003 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:05,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:05,005 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:05,005 - INFO - number of supporting files: 1
-2024-12-08 07:53:05,005 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-08 07:53:05,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-08 07:53:05,005 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-08 07:53:05,018 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:05,018 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-08 07:53:05,018 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-08 07:53:05,018 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 07:53:05,018 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 07:53:05,018 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 07:53:05,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:05,020 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:05,020 - INFO - number of supporting files: 1
-2024-12-08 07:53:05,020 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-08 07:53:05,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-08 07:53:05,020 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-08 07:53:05,033 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:05,033 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-08 07:53:05,033 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-08 07:53:05,034 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-08 07:53:05,034 - INFO - problem_instance short name: planted_solution_0010
-2024-12-08 07:53:05,034 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 07:53:05,034 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-08 07:53:05,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:05,035 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:05,035 - INFO - number of supporting files: 1
-2024-12-08 07:53:05,035 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-08 07:53:05,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-08 07:53:05,035 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-08 07:53:05,048 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:05,049 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-08 07:53:05,049 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-08 07:53:05,049 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-08 07:53:05,049 - INFO - problem_instance short name: Cr_1
-2024-12-08 07:53:05,049 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 07:53:05,049 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-08 07:53:05,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:05,050 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:05,050 - INFO - number of supporting files: 2
-2024-12-08 07:53:05,050 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-08 07:53:05,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-08 07:53:05,051 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-08 07:53:05,064 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:05,064 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-08 07:53:05,064 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-08 07:53:05,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-08 07:53:05,064 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 07:53:05,064 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-08 07:53:05,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:05,066 - INFO - number of orbitals:  135
-2024-12-08 07:53:05,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-08 07:53:05,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 07:53:05,066 - INFO - moving on ...
-2024-12-08 07:53:05,066 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-08 07:53:05,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 07:53:05,067 - INFO - attempting to process the Hamiltonian...
-2024-12-08 07:53:05,067 - INFO - number of supporting files: 2
-2024-12-08 07:53:05,067 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-08 07:53:05,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-08 07:53:05,067 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-08 07:53:05,080 - INFO - number of entries in Hamiltonian_features.csv:  202
-2024-12-08 07:53:05,080 - INFO - did NOT find instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 in database.
-2024-12-08 07:53:05,081 - INFO - Processing instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 ...
-2024-12-08 07:53:05,081 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz...
-2024-12-08 07:53:05,092 - INFO - Connected (version 2.0, client 0)
-2024-12-08 07:53:05,694 - INFO - Authentication (publickey) successful!
-2024-12-08 07:53:05,710 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-08 07:53:21,867 - INFO - [chan 0] sftp session closed.
-2024-12-08 07:53:21,867 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-08 07:53:21,867 - INFO - decompressing file fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz...
-2024-12-08 07:53:23,079 - INFO - this script has been running for 93.78 hours.
-2024-12-08 07:53:23,080 - INFO - ===============================================
-2024-12-08 07:53:23,080 - INFO - calculating Hamiltonian features...
-2024-12-08 07:53:23,080 - INFO - reading data from fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010
-2024-12-08 07:53:33,275 - INFO - finished reading FCIDUMP data.
-2024-12-08 07:53:33,275 - INFO - data['NORB']: 88
-2024-12-08 07:53:33,275 - INFO - len(data['H1']): 88
-2024-12-08 07:53:33,275 - INFO - ao2mo.restore...
-2024-12-08 07:53:33,406 - INFO - done.
-2024-12-08 07:53:33,406 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-08 07:53:33,406 - INFO - done.
-2024-12-08 07:53:33,406 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-08 08:57:47,751 - INFO - done.
-2024-12-08 08:57:47,751 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-08 09:00:53,583 - INFO - done.
-2024-12-08 09:00:53,583 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-08 09:01:13,999 - INFO - done.
-2024-12-08 09:01:13,999 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-08 09:01:29,517 - INFO - done.
-2024-12-08 09:01:29,517 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-08 09:01:29,518 - INFO - done.
-2024-12-08 09:01:29,518 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-08 09:01:29,518 - INFO - done.
-2024-12-08 09:01:31,646 - INFO - Hamiltonian features calculation run time (seconds): 4088.566445
-2024-12-08 09:01:31,646 - INFO - wrote df_eigs to file: df_eigs.efaceb68-6fae-491a-bb90-1e3e3463f010.bin
-2024-12-08 09:01:31,647 - INFO - deleting file fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-08 09:01:31,675 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-08 09:01:31,683 - INFO - this script has been running for 94.92 hours.
-2024-12-08 09:01:31,683 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-08 09:01:31,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-08 09:01:31,683 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 09:01:31,683 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-08 09:01:31,684 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-08 09:01:31,684 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-08 09:01:31,684 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-08 09:01:31,684 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-08 09:01:31,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,686 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,686 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,686 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-08 09:01:31,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-08 09:01:31,687 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-08 09:01:31,701 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,701 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,701 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-08 09:01:31,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,701 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,701 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,703 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,703 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,703 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-08 09:01:31,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-08 09:01:31,703 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-08 09:01:31,717 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,718 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,718 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-08 09:01:31,718 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,720 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,720 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,720 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-08 09:01:31,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-08 09:01:31,720 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-08 09:01:31,734 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,734 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,734 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-08 09:01:31,734 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,736 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,736 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,736 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-08 09:01:31,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-08 09:01:31,736 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-08 09:01:31,750 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,750 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,750 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-08 09:01:31,750 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,750 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,752 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,752 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,752 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-08 09:01:31,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-08 09:01:31,752 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-08 09:01:31,766 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,766 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,767 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-08 09:01:31,767 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,767 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,767 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,769 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,769 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,769 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-08 09:01:31,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-08 09:01:31,769 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-08 09:01:31,782 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,783 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,783 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-08 09:01:31,783 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,783 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,783 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,785 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,785 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,785 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-08 09:01:31,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-08 09:01:31,785 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-08 09:01:31,798 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,799 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,799 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-08 09:01:31,799 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,799 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,799 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,801 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,801 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,801 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-08 09:01:31,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-08 09:01:31,801 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-08 09:01:31,814 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,815 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,815 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-08 09:01:31,815 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,815 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,815 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,817 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,817 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,817 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-08 09:01:31,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-08 09:01:31,817 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-08 09:01:31,831 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,831 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,831 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-08 09:01:31,831 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,833 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,833 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,833 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-08 09:01:31,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-08 09:01:31,833 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-08 09:01:31,847 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,848 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,848 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-08 09:01:31,848 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,848 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,848 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,850 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,850 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,850 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-08 09:01:31,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-08 09:01:31,850 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-08 09:01:31,863 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,864 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,864 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-08 09:01:31,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,866 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,866 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,866 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-08 09:01:31,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-08 09:01:31,866 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-08 09:01:31,881 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,881 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,881 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-08 09:01:31,881 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,881 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,882 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,883 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,884 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,884 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-08 09:01:31,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-08 09:01:31,884 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-08 09:01:31,899 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,899 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,899 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-08 09:01:31,899 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,899 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,899 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,901 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,901 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,901 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-08 09:01:31,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-08 09:01:31,901 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-08 09:01:31,915 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,916 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,916 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-08 09:01:31,916 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,916 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,916 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,917 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,918 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,918 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-08 09:01:31,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-08 09:01:31,918 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-08 09:01:31,931 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,931 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,932 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-08 09:01:31,932 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 09:01:31,932 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 09:01:31,932 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 09:01:31,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,933 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,933 - INFO - number of supporting files: 1
-2024-12-08 09:01:31,933 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-08 09:01:31,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-08 09:01:31,934 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-08 09:01:31,947 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,947 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,947 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-08 09:01:31,947 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-08 09:01:31,947 - INFO - problem_instance short name: c_o_0
-2024-12-08 09:01:31,947 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 09:01:31,947 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-08 09:01:31,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,949 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,949 - INFO - number of supporting files: 2
-2024-12-08 09:01:31,949 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-08 09:01:31,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-08 09:01:31,949 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-08 09:01:31,962 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,963 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,963 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-08 09:01:31,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-08 09:01:31,963 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 09:01:31,963 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-08 09:01:31,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,964 - INFO - number of orbitals:  110
-2024-12-08 09:01:31,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-08 09:01:31,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 09:01:31,964 - INFO - moving on ...
-2024-12-08 09:01:31,964 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-08 09:01:31,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,966 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,966 - INFO - number of supporting files: 2
-2024-12-08 09:01:31,966 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-08 09:01:31,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-08 09:01:31,966 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-08 09:01:31,979 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,979 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,979 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-08 09:01:31,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-08 09:01:31,980 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 09:01:31,980 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-08 09:01:31,980 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-08 09:01:31,980 - INFO - problem_instance short name: Cu_1
-2024-12-08 09:01:31,980 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 09:01:31,980 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-08 09:01:31,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,981 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,981 - INFO - number of supporting files: 2
-2024-12-08 09:01:31,981 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-08 09:01:31,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-08 09:01:31,981 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-08 09:01:31,995 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:31,995 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-08 09:01:31,995 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-08 09:01:31,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-08 09:01:31,995 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 09:01:31,995 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-08 09:01:31,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 09:01:31,996 - INFO - attempting to process the Hamiltonian...
-2024-12-08 09:01:31,996 - INFO - number of supporting files: 2
-2024-12-08 09:01:31,996 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-08 09:01:31,996 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-08 09:01:31,996 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-08 09:01:32,010 - INFO - number of entries in Hamiltonian_features.csv:  203
-2024-12-08 09:01:32,011 - INFO - did NOT find instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 in database.
-2024-12-08 09:01:32,011 - INFO - Processing instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 ...
-2024-12-08 09:01:32,011 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz...
-2024-12-08 09:01:32,016 - INFO - Connected (version 2.0, client 0)
-2024-12-08 09:01:32,533 - INFO - Authentication (publickey) successful!
-2024-12-08 09:01:32,551 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-08 09:01:55,110 - INFO - [chan 0] sftp session closed.
-2024-12-08 09:01:55,111 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-08 09:01:55,111 - INFO - decompressing file fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz...
-2024-12-08 09:01:57,105 - INFO - this script has been running for 94.92 hours.
-2024-12-08 09:01:57,105 - INFO - ===============================================
-2024-12-08 09:01:57,105 - INFO - calculating Hamiltonian features...
-2024-12-08 09:01:57,105 - INFO - reading data from fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89
-2024-12-08 09:02:13,615 - INFO - finished reading FCIDUMP data.
-2024-12-08 09:02:13,615 - INFO - data['NORB']: 88
-2024-12-08 09:02:13,615 - INFO - len(data['H1']): 88
-2024-12-08 09:02:13,615 - INFO - ao2mo.restore...
-2024-12-08 09:02:13,739 - INFO - done.
-2024-12-08 09:02:13,739 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-08 09:02:13,740 - INFO - done.
-2024-12-08 09:02:13,740 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-08 10:59:22,137 - INFO - done.
-2024-12-08 10:59:22,137 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-08 11:11:34,032 - INFO - done.
-2024-12-08 11:11:34,032 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-08 11:13:00,234 - INFO - done.
-2024-12-08 11:13:00,234 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-08 11:13:16,351 - INFO - done.
-2024-12-08 11:13:16,351 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-08 11:13:16,352 - INFO - done.
-2024-12-08 11:13:16,352 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-08 11:13:16,352 - INFO - done.
-2024-12-08 11:13:23,201 - INFO - Hamiltonian features calculation run time (seconds): 7886.096136
-2024-12-08 11:13:23,201 - INFO - wrote df_eigs to file: df_eigs.68952c71-d281-40fa-bcd2-cb0352f70a89.bin
-2024-12-08 11:13:23,201 - INFO - deleting file fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-08 11:13:23,245 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-08 11:13:23,252 - INFO - this script has been running for 97.12 hours.
-2024-12-08 11:13:23,252 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-08 11:13:23,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-08 11:13:23,252 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 11:13:23,253 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-08 11:13:23,253 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-08 11:13:23,253 - INFO - problem_instance short name: planted_solution_0001
-2024-12-08 11:13:23,253 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 11:13:23,253 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-08 11:13:23,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,254 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,254 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,254 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-08 11:13:23,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-08 11:13:23,254 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-08 11:13:23,268 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,268 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,268 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-08 11:13:23,268 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-08 11:13:23,268 - INFO - problem_instance short name: planted_solution_0011
-2024-12-08 11:13:23,268 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 11:13:23,268 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-08 11:13:23,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,269 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,269 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,270 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-08 11:13:23,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-08 11:13:23,270 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-08 11:13:23,282 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,283 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,283 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-08 11:13:23,283 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-08 11:13:23,283 - INFO - problem_instance short name: fe_red
-2024-12-08 11:13:23,283 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-08 11:13:23,283 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-08 11:13:23,283 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 11:13:23,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 11:13:23,283 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 11:13:23,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,285 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,285 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,285 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-08 11:13:23,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-08 11:13:23,285 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-08 11:13:23,297 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,298 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,298 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-08 11:13:23,298 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 11:13:23,298 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 11:13:23,298 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 11:13:23,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,299 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,299 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,299 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-08 11:13:23,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-08 11:13:23,300 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-08 11:13:23,312 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,312 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,312 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-08 11:13:23,312 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 11:13:23,312 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 11:13:23,312 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 11:13:23,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,314 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,314 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,314 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-08 11:13:23,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-08 11:13:23,314 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-08 11:13:23,326 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,326 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,327 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-08 11:13:23,327 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 11:13:23,327 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 11:13:23,327 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 11:13:23,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,328 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,328 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,329 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-08 11:13:23,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-08 11:13:23,329 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-08 11:13:23,342 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,342 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,342 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-08 11:13:23,342 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 11:13:23,342 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 11:13:23,342 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 11:13:23,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,344 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,344 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,344 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-08 11:13:23,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-08 11:13:23,344 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-08 11:13:23,357 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,357 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,357 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-08 11:13:23,357 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 11:13:23,357 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 11:13:23,357 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 11:13:23,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,359 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,359 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,359 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-08 11:13:23,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-08 11:13:23,359 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-08 11:13:23,372 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,372 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,372 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-08 11:13:23,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 11:13:23,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 11:13:23,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 11:13:23,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,374 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,374 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,374 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-08 11:13:23,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-08 11:13:23,374 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-08 11:13:23,388 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,389 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,389 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-08 11:13:23,389 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 11:13:23,389 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 11:13:23,389 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 11:13:23,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,391 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,391 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,391 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-08 11:13:23,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-08 11:13:23,391 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-08 11:13:23,404 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,405 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,405 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-08 11:13:23,405 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 11:13:23,405 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 11:13:23,405 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 11:13:23,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,407 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,407 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,407 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-08 11:13:23,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-08 11:13:23,407 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-08 11:13:23,421 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,421 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,421 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-08 11:13:23,421 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-08 11:13:23,421 - INFO - problem_instance short name: na_cl_0
-2024-12-08 11:13:23,421 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 11:13:23,421 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-08 11:13:23,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,422 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,423 - INFO - number of supporting files: 2
-2024-12-08 11:13:23,423 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-08 11:13:23,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-08 11:13:23,423 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-08 11:13:23,435 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,435 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,435 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-08 11:13:23,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-08 11:13:23,435 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 11:13:23,435 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-08 11:13:23,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,436 - INFO - number of orbitals:  118
-2024-12-08 11:13:23,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-08 11:13:23,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 11:13:23,436 - INFO - moving on ...
-2024-12-08 11:13:23,436 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-08 11:13:23,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,437 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,437 - INFO - number of supporting files: 2
-2024-12-08 11:13:23,437 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-08 11:13:23,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-08 11:13:23,438 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-08 11:13:23,450 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,450 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,450 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-08 11:13:23,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-08 11:13:23,451 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 11:13:23,451 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-08 11:13:23,451 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-08 11:13:23,451 - INFO - problem_instance short name: planted_solution_0003
-2024-12-08 11:13:23,451 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 11:13:23,451 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-08 11:13:23,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,452 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,452 - INFO - number of supporting files: 1
-2024-12-08 11:13:23,452 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-08 11:13:23,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-08 11:13:23,452 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-08 11:13:23,465 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,465 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,466 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-08 11:13:23,466 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-08 11:13:23,466 - INFO - problem_instance short name: Mn_1
-2024-12-08 11:13:23,466 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 11:13:23,466 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-08 11:13:23,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,467 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,467 - INFO - number of supporting files: 2
-2024-12-08 11:13:23,467 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-08 11:13:23,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-08 11:13:23,467 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-08 11:13:23,480 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,480 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-08 11:13:23,480 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-08 11:13:23,480 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-08 11:13:23,480 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 11:13:23,480 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-08 11:13:23,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 11:13:23,482 - INFO - attempting to process the Hamiltonian...
-2024-12-08 11:13:23,482 - INFO - number of supporting files: 2
-2024-12-08 11:13:23,482 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-08 11:13:23,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-08 11:13:23,482 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-08 11:13:23,495 - INFO - number of entries in Hamiltonian_features.csv:  204
-2024-12-08 11:13:23,496 - INFO - did NOT find instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 in database.
-2024-12-08 11:13:23,496 - INFO - Processing instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 ...
-2024-12-08 11:13:23,496 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz...
-2024-12-08 11:13:23,502 - INFO - Connected (version 2.0, client 0)
-2024-12-08 11:13:23,976 - INFO - Authentication (publickey) successful!
-2024-12-08 11:13:23,988 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-08 11:13:48,512 - INFO - [chan 0] sftp session closed.
-2024-12-08 11:13:48,512 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-08 11:13:48,512 - INFO - decompressing file fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz...
-2024-12-08 11:13:50,448 - INFO - this script has been running for 97.12 hours.
-2024-12-08 11:13:50,448 - INFO - ===============================================
-2024-12-08 11:13:50,448 - INFO - calculating Hamiltonian features...
-2024-12-08 11:13:50,448 - INFO - reading data from fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854
-2024-12-08 11:14:06,963 - INFO - finished reading FCIDUMP data.
-2024-12-08 11:14:06,963 - INFO - data['NORB']: 88
-2024-12-08 11:14:06,963 - INFO - len(data['H1']): 88
-2024-12-08 11:14:06,963 - INFO - ao2mo.restore...
-2024-12-08 11:14:07,088 - INFO - done.
-2024-12-08 11:14:07,088 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-08 11:14:07,088 - INFO - done.
-2024-12-08 11:14:07,088 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-08 13:14:24,828 - INFO - done.
-2024-12-08 13:14:24,828 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-08 13:26:07,487 - INFO - done.
-2024-12-08 13:26:07,487 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-08 13:27:35,713 - INFO - done.
-2024-12-08 13:27:35,713 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-08 13:27:50,789 - INFO - done.
-2024-12-08 13:27:50,789 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-08 13:27:50,790 - INFO - done.
-2024-12-08 13:27:50,790 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-08 13:27:50,790 - INFO - done.
-2024-12-08 13:27:57,751 - INFO - Hamiltonian features calculation run time (seconds): 8047.303011
-2024-12-08 13:27:57,752 - INFO - wrote df_eigs to file: df_eigs.00c757c4-3c99-4521-82b1-3e3a12d49854.bin
-2024-12-08 13:27:57,752 - INFO - deleting file fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-08 13:27:57,797 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-08 13:27:57,805 - INFO - this script has been running for 99.36 hours.
-2024-12-08 13:27:57,805 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-08 13:27:57,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-08 13:27:57,805 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 13:27:57,805 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-08 13:27:57,805 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-08 13:27:57,805 - INFO - problem_instance short name: Cr_0
-2024-12-08 13:27:57,805 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 13:27:57,805 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-08 13:27:57,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 13:27:57,807 - INFO - attempting to process the Hamiltonian...
-2024-12-08 13:27:57,807 - INFO - number of supporting files: 2
-2024-12-08 13:27:57,807 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-08 13:27:57,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-08 13:27:57,807 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-08 13:27:57,821 - INFO - number of entries in Hamiltonian_features.csv:  205
-2024-12-08 13:27:57,821 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-08 13:27:57,821 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-08 13:27:57,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-08 13:27:57,821 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 13:27:57,821 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-08 13:27:57,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 13:27:57,823 - INFO - attempting to process the Hamiltonian...
-2024-12-08 13:27:57,823 - INFO - number of supporting files: 2
-2024-12-08 13:27:57,823 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-08 13:27:57,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-08 13:27:57,823 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-08 13:27:57,837 - INFO - number of entries in Hamiltonian_features.csv:  205
-2024-12-08 13:27:57,837 - INFO - did NOT find instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 in database.
-2024-12-08 13:27:57,837 - INFO - Processing instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 ...
-2024-12-08 13:27:57,837 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz...
-2024-12-08 13:27:57,843 - INFO - Connected (version 2.0, client 0)
-2024-12-08 13:27:58,309 - INFO - Authentication (publickey) successful!
-2024-12-08 13:27:58,328 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-08 13:29:33,178 - INFO - [chan 0] sftp session closed.
-2024-12-08 13:29:33,179 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-08 13:29:33,179 - INFO - decompressing file fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz...
-2024-12-08 13:29:36,962 - INFO - this script has been running for 99.39 hours.
-2024-12-08 13:29:36,962 - INFO - ===============================================
-2024-12-08 13:29:36,962 - INFO - calculating Hamiltonian features...
-2024-12-08 13:29:36,962 - INFO - reading data from fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411
-2024-12-08 13:30:09,404 - INFO - finished reading FCIDUMP data.
-2024-12-08 13:30:09,404 - INFO - data['NORB']: 88
-2024-12-08 13:30:09,404 - INFO - len(data['H1']): 88
-2024-12-08 13:30:09,404 - INFO - ao2mo.restore...
-2024-12-08 13:30:09,525 - INFO - done.
-2024-12-08 13:30:09,525 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-08 13:30:09,525 - INFO - done.
-2024-12-08 13:30:09,525 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-08 17:28:26,288 - INFO - done.
-2024-12-08 17:28:26,288 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-08 17:52:44,748 - INFO - done.
-2024-12-08 17:52:44,748 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-08 17:55:42,812 - INFO - done.
-2024-12-08 17:55:42,812 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-08 17:55:58,973 - INFO - done.
-2024-12-08 17:55:58,973 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-08 17:55:58,974 - INFO - done.
-2024-12-08 17:55:58,974 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-08 17:55:58,974 - INFO - done.
-2024-12-08 17:56:13,965 - INFO - Hamiltonian features calculation run time (seconds): 15997.003615
-2024-12-08 17:56:13,966 - INFO - wrote df_eigs to file: df_eigs.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.bin
-2024-12-08 17:56:13,966 - INFO - deleting file fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-08 17:56:14,056 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-08 17:56:14,065 - INFO - this script has been running for 103.83 hours.
-2024-12-08 17:56:14,066 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-08 17:56:14,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-08 17:56:14,066 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 17:56:14,066 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-08 17:56:14,066 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-08 17:56:14,066 - INFO - problem_instance short name: ru_mono
-2024-12-08 17:56:14,066 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-08 17:56:14,066 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-08 17:56:14,066 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,066 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,066 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,068 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,068 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,068 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-08 17:56:14,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-08 17:56:14,068 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-08 17:56:14,083 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,084 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,084 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-08 17:56:14,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,086 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,086 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,086 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-08 17:56:14,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-08 17:56:14,086 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-08 17:56:14,099 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,099 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,100 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-08 17:56:14,100 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,100 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,100 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,101 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,101 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,102 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-08 17:56:14,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-08 17:56:14,102 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-08 17:56:14,115 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,115 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,115 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-08 17:56:14,116 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,116 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,116 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,117 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,117 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,117 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-08 17:56:14,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-08 17:56:14,118 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-08 17:56:14,132 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,133 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,133 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-08 17:56:14,133 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,133 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,133 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,135 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,135 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,135 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-08 17:56:14,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-08 17:56:14,135 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-08 17:56:14,148 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,149 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,149 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-08 17:56:14,149 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,149 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,149 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,151 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,151 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,151 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-08 17:56:14,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-08 17:56:14,151 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-08 17:56:14,164 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,164 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,164 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-08 17:56:14,165 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-08 17:56:14,165 - INFO - problem_instance short name: benzene
-2024-12-08 17:56:14,165 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 17:56:14,165 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-08 17:56:14,165 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,165 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,165 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,166 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,167 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,167 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-08 17:56:14,167 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-08 17:56:14,167 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-08 17:56:14,180 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,181 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,181 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-08 17:56:14,181 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,181 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,181 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,183 - INFO - number of orbitals:  108
-2024-12-08 17:56:14,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-08 17:56:14,183 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 17:56:14,183 - INFO - moving on ...
-2024-12-08 17:56:14,183 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-08 17:56:14,183 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-08 17:56:14,183 - INFO - problem_instance short name: c_s_0
-2024-12-08 17:56:14,183 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 17:56:14,183 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-08 17:56:14,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,184 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,185 - INFO - number of supporting files: 2
-2024-12-08 17:56:14,185 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-08 17:56:14,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-08 17:56:14,185 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-08 17:56:14,199 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,199 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,199 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-08 17:56:14,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-08 17:56:14,199 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 17:56:14,199 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-08 17:56:14,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,200 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,200 - INFO - number of supporting files: 2
-2024-12-08 17:56:14,200 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-08 17:56:14,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-08 17:56:14,201 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-08 17:56:14,214 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,215 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,215 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-08 17:56:14,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-08 17:56:14,215 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 17:56:14,215 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-08 17:56:14,215 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-08 17:56:14,215 - INFO - problem_instance short name: ozone
-2024-12-08 17:56:14,215 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-08 17:56:14,215 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-08 17:56:14,215 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,215 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,215 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,217 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,217 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,217 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-08 17:56:14,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-08 17:56:14,217 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-08 17:56:14,231 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,231 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,231 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-08 17:56:14,231 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,231 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,231 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,233 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,233 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,233 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-08 17:56:14,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-08 17:56:14,233 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-08 17:56:14,247 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,248 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-08 17:56:14,248 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-08 17:56:14,248 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 17:56:14,248 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 17:56:14,248 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 17:56:14,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 17:56:14,250 - INFO - attempting to process the Hamiltonian...
-2024-12-08 17:56:14,250 - INFO - number of supporting files: 1
-2024-12-08 17:56:14,250 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-08 17:56:14,250 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-08 17:56:14,250 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-08 17:56:14,264 - INFO - number of entries in Hamiltonian_features.csv:  206
-2024-12-08 17:56:14,264 - INFO - did NOT find instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a in database.
-2024-12-08 17:56:14,264 - INFO - Processing instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a ...
-2024-12-08 17:56:14,264 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz...
-2024-12-08 17:56:14,269 - INFO - Connected (version 2.0, client 0)
-2024-12-08 17:56:14,778 - INFO - Authentication (publickey) successful!
-2024-12-08 17:56:14,797 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-08 17:56:42,950 - INFO - [chan 0] sftp session closed.
-2024-12-08 17:56:42,951 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-08 17:56:42,951 - INFO - decompressing file FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz...
-2024-12-08 17:56:44,954 - INFO - this script has been running for 103.84 hours.
-2024-12-08 17:56:44,955 - INFO - ===============================================
-2024-12-08 17:56:44,955 - INFO - calculating Hamiltonian features...
-2024-12-08 17:56:44,955 - INFO - reading data from FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a
-2024-12-08 17:57:01,385 - INFO - finished reading FCIDUMP data.
-2024-12-08 17:57:01,385 - INFO - data['NORB']: 90
-2024-12-08 17:57:01,385 - INFO - len(data['H1']): 90
-2024-12-08 17:57:01,385 - INFO - ao2mo.restore...
-2024-12-08 17:57:01,482 - INFO - done.
-2024-12-08 17:57:01,482 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-08 17:57:01,482 - INFO - done.
-2024-12-08 17:57:01,482 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-08 19:47:02,247 - INFO - done.
-2024-12-08 19:47:02,247 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-08 19:53:46,693 - INFO - done.
-2024-12-08 19:53:46,693 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-08 19:54:37,641 - INFO - done.
-2024-12-08 19:54:37,641 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-08 19:54:53,723 - INFO - done.
-2024-12-08 19:54:53,723 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-08 19:54:53,724 - INFO - done.
-2024-12-08 19:54:53,724 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-08 19:54:53,724 - INFO - done.
-2024-12-08 19:54:58,059 - INFO - Hamiltonian features calculation run time (seconds): 7093.104179
-2024-12-08 19:54:58,060 - INFO - wrote df_eigs to file: df_eigs.8fc9b179-ff7d-4402-b0cf-18ec074b211a.bin
-2024-12-08 19:54:58,060 - INFO - deleting file FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-08 19:54:58,102 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-08 19:54:58,104 - INFO - this script has been running for 105.81 hours.
-2024-12-08 19:54:58,105 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-08 19:54:58,105 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 19:54:58,105 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 19:54:58,105 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 19:54:58,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 19:54:58,107 - INFO - attempting to process the Hamiltonian...
-2024-12-08 19:54:58,107 - INFO - number of supporting files: 1
-2024-12-08 19:54:58,107 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-08 19:54:58,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-08 19:54:58,107 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-08 19:54:58,120 - INFO - number of entries in Hamiltonian_features.csv:  207
-2024-12-08 19:54:58,121 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-08 19:54:58,121 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-08 19:54:58,121 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 19:54:58,121 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 19:54:58,121 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 19:54:58,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 19:54:58,122 - INFO - attempting to process the Hamiltonian...
-2024-12-08 19:54:58,123 - INFO - number of supporting files: 1
-2024-12-08 19:54:58,123 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-08 19:54:58,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-08 19:54:58,123 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-08 19:54:58,135 - INFO - number of entries in Hamiltonian_features.csv:  207
-2024-12-08 19:54:58,136 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-08 19:54:58,136 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-08 19:54:58,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 19:54:58,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 19:54:58,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 19:54:58,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 19:54:58,137 - INFO - attempting to process the Hamiltonian...
-2024-12-08 19:54:58,137 - INFO - number of supporting files: 1
-2024-12-08 19:54:58,137 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-08 19:54:58,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-08 19:54:58,137 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-08 19:54:58,149 - INFO - number of entries in Hamiltonian_features.csv:  207
-2024-12-08 19:54:58,150 - INFO - did NOT find instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d in database.
-2024-12-08 19:54:58,150 - INFO - Processing instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d ...
-2024-12-08 19:54:58,150 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz...
-2024-12-08 19:54:58,155 - INFO - Connected (version 2.0, client 0)
-2024-12-08 19:54:58,656 - INFO - Authentication (publickey) successful!
-2024-12-08 19:54:58,673 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-08 19:55:29,107 - INFO - [chan 0] sftp session closed.
-2024-12-08 19:55:29,107 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-08 19:55:29,107 - INFO - decompressing file FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz...
-2024-12-08 19:55:31,157 - INFO - this script has been running for 105.82 hours.
-2024-12-08 19:55:31,157 - INFO - ===============================================
-2024-12-08 19:55:31,157 - INFO - calculating Hamiltonian features...
-2024-12-08 19:55:31,157 - INFO - reading data from FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d
-2024-12-08 19:55:48,240 - INFO - finished reading FCIDUMP data.
-2024-12-08 19:55:48,240 - INFO - data['NORB']: 90
-2024-12-08 19:55:48,240 - INFO - len(data['H1']): 90
-2024-12-08 19:55:48,240 - INFO - ao2mo.restore...
-2024-12-08 19:55:48,339 - INFO - done.
-2024-12-08 19:55:48,339 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-08 19:55:48,339 - INFO - done.
-2024-12-08 19:55:48,339 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-08 21:46:51,870 - INFO - done.
-2024-12-08 21:46:51,870 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-08 21:53:48,849 - INFO - done.
-2024-12-08 21:53:48,849 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-08 21:54:39,101 - INFO - done.
-2024-12-08 21:54:39,102 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-08 21:54:55,180 - INFO - done.
-2024-12-08 21:54:55,180 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-08 21:54:55,181 - INFO - done.
-2024-12-08 21:54:55,181 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-08 21:54:55,181 - INFO - done.
-2024-12-08 21:54:59,575 - INFO - Hamiltonian features calculation run time (seconds): 7168.417651
-2024-12-08 21:54:59,575 - INFO - wrote df_eigs to file: df_eigs.8b6ad6f7-f004-4941-95b2-829eb3723c8d.bin
-2024-12-08 21:54:59,575 - INFO - deleting file FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-08 21:54:59,626 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-08 21:54:59,628 - INFO - this script has been running for 107.81 hours.
-2024-12-08 21:54:59,628 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-08 21:54:59,628 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-08 21:54:59,628 - INFO - problem_instance short name: planted_solution_0008
-2024-12-08 21:54:59,628 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,628 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-08 21:54:59,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,629 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,629 - INFO - number of supporting files: 1
-2024-12-08 21:54:59,629 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-08 21:54:59,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-08 21:54:59,630 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-08 21:54:59,643 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,643 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,643 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-08 21:54:59,643 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-08 21:54:59,644 - INFO - problem_instance short name: s_o2_0
-2024-12-08 21:54:59,644 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,644 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-08 21:54:59,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,645 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,645 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,645 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-08 21:54:59,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-08 21:54:59,645 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-08 21:54:59,659 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,659 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,659 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-08 21:54:59,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-08 21:54:59,659 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,659 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-08 21:54:59,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,661 - INFO - number of orbitals:  94
-2024-12-08 21:54:59,661 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-08 21:54:59,661 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:54:59,661 - INFO - moving on ...
-2024-12-08 21:54:59,661 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-08 21:54:59,661 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-08 21:54:59,661 - INFO - problem_instance short name: ozone
-2024-12-08 21:54:59,661 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,661 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-08 21:54:59,661 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:54:59,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:54:59,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:54:59,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,663 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,663 - INFO - number of supporting files: 1
-2024-12-08 21:54:59,663 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-08 21:54:59,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-08 21:54:59,663 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-08 21:54:59,676 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,676 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,676 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-08 21:54:59,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:54:59,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:54:59,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:54:59,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,678 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,678 - INFO - number of supporting files: 1
-2024-12-08 21:54:59,678 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-08 21:54:59,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-08 21:54:59,678 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-08 21:54:59,693 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,693 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,693 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-08 21:54:59,693 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:54:59,693 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:54:59,693 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:54:59,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,695 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,695 - INFO - number of supporting files: 1
-2024-12-08 21:54:59,695 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-08 21:54:59,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-08 21:54:59,695 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-08 21:54:59,708 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,709 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,709 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-08 21:54:59,709 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:54:59,709 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:54:59,709 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:54:59,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,710 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,711 - INFO - number of supporting files: 1
-2024-12-08 21:54:59,711 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-08 21:54:59,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-08 21:54:59,711 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-08 21:54:59,724 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,725 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,725 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-08 21:54:59,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:54:59,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:54:59,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:54:59,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,727 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,727 - INFO - number of supporting files: 1
-2024-12-08 21:54:59,727 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-08 21:54:59,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-08 21:54:59,727 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-08 21:54:59,741 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,741 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,741 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-08 21:54:59,741 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:54:59,741 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:54:59,741 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:54:59,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,743 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,743 - INFO - number of supporting files: 1
-2024-12-08 21:54:59,743 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-08 21:54:59,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-08 21:54:59,743 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-08 21:54:59,757 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,757 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,757 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-08 21:54:59,758 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-08 21:54:59,758 - INFO - problem_instance short name: Cr_0
-2024-12-08 21:54:59,758 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,758 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-08 21:54:59,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,759 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,759 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,759 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-08 21:54:59,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-08 21:54:59,759 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-08 21:54:59,774 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,774 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,774 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-08 21:54:59,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-08 21:54:59,775 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,775 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-08 21:54:59,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,776 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,776 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,776 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-08 21:54:59,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-08 21:54:59,776 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-08 21:54:59,790 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,791 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,791 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-08 21:54:59,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-08 21:54:59,791 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,791 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-08 21:54:59,791 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-08 21:54:59,791 - INFO - problem_instance short name: c2_h4_0
-2024-12-08 21:54:59,791 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,791 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-08 21:54:59,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,793 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,793 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,793 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-08 21:54:59,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-08 21:54:59,793 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-08 21:54:59,806 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,806 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,807 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-08 21:54:59,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-08 21:54:59,807 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,807 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-08 21:54:59,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,808 - INFO - number of orbitals:  116
-2024-12-08 21:54:59,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:54:59,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:54:59,808 - INFO - moving on ...
-2024-12-08 21:54:59,808 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-08 21:54:59,808 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-08 21:54:59,808 - INFO - problem_instance short name: Mn_0
-2024-12-08 21:54:59,808 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,808 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-08 21:54:59,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,809 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,809 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,809 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-08 21:54:59,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-08 21:54:59,810 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-08 21:54:59,824 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,824 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,824 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-08 21:54:59,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-08 21:54:59,824 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,824 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-08 21:54:59,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,825 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,825 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,825 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-08 21:54:59,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-08 21:54:59,825 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-08 21:54:59,839 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,839 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,840 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-08 21:54:59,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-08 21:54:59,840 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,840 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-08 21:54:59,840 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-08 21:54:59,840 - INFO - problem_instance short name: Cu_1
-2024-12-08 21:54:59,840 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,840 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-08 21:54:59,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,841 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,841 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,841 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-08 21:54:59,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-08 21:54:59,841 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-08 21:54:59,854 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,855 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,855 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-08 21:54:59,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-08 21:54:59,855 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,855 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-08 21:54:59,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,856 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,856 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,856 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-08 21:54:59,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-08 21:54:59,856 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-08 21:54:59,869 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,869 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,869 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-08 21:54:59,870 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-08 21:54:59,870 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,870 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-08 21:54:59,870 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-08 21:54:59,870 - INFO - problem_instance short name: na_cl_0
-2024-12-08 21:54:59,870 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,870 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-08 21:54:59,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,871 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,871 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,871 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-08 21:54:59,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-08 21:54:59,871 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-08 21:54:59,883 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,884 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,884 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-08 21:54:59,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-08 21:54:59,884 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,884 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-08 21:54:59,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,885 - INFO - number of orbitals:  118
-2024-12-08 21:54:59,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:54:59,885 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:54:59,885 - INFO - moving on ...
-2024-12-08 21:54:59,885 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-08 21:54:59,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,886 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,886 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,886 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-08 21:54:59,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-08 21:54:59,886 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-08 21:54:59,898 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,898 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,898 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-08 21:54:59,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-08 21:54:59,898 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,899 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-08 21:54:59,899 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-08 21:54:59,899 - INFO - problem_instance short name: h_f_0
-2024-12-08 21:54:59,899 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,899 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-08 21:54:59,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,900 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,900 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,900 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-08 21:54:59,900 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-08 21:54:59,900 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-08 21:54:59,914 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,914 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,914 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-08 21:54:59,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-08 21:54:59,914 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,914 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-08 21:54:59,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,915 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,915 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,915 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-08 21:54:59,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-08 21:54:59,915 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-08 21:54:59,927 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,927 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,927 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-08 21:54:59,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-08 21:54:59,928 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,928 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-08 21:54:59,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,929 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,929 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,929 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-08 21:54:59,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-08 21:54:59,929 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-08 21:54:59,941 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,941 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,942 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-08 21:54:59,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-08 21:54:59,942 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,942 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-08 21:54:59,942 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-08 21:54:59,942 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-08 21:54:59,942 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,942 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-08 21:54:59,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,943 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,943 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,943 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-08 21:54:59,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-08 21:54:59,943 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-08 21:54:59,956 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,956 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,956 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-08 21:54:59,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-08 21:54:59,956 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,956 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-08 21:54:59,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,957 - INFO - number of orbitals:  115
-2024-12-08 21:54:59,957 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:54:59,957 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:54:59,957 - INFO - moving on ...
-2024-12-08 21:54:59,957 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-08 21:54:59,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,958 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,958 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,958 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-08 21:54:59,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-08 21:54:59,959 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-08 21:54:59,970 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,971 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,971 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-08 21:54:59,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-08 21:54:59,971 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,971 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-08 21:54:59,971 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-08 21:54:59,971 - INFO - problem_instance short name: Mn_1
-2024-12-08 21:54:59,971 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,971 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-08 21:54:59,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,972 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,972 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,972 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-08 21:54:59,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-08 21:54:59,972 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-08 21:54:59,984 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,984 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,985 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-08 21:54:59,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-08 21:54:59,985 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,985 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-08 21:54:59,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:54:59,986 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:54:59,986 - INFO - number of supporting files: 2
-2024-12-08 21:54:59,986 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-08 21:54:59,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-08 21:54:59,986 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-08 21:54:59,998 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:54:59,998 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-08 21:54:59,998 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-08 21:54:59,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-08 21:54:59,998 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:54:59,998 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-08 21:54:59,998 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-08 21:54:59,998 - INFO - problem_instance short name: n_h3_0
-2024-12-08 21:54:59,998 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:54:59,998 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-08 21:54:59,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,000 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,000 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,000 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-08 21:55:00,000 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-08 21:55:00,000 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-08 21:55:00,014 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,014 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,014 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-08 21:55:00,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-08 21:55:00,014 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,014 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-08 21:55:00,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,016 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,016 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,016 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-08 21:55:00,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-08 21:55:00,016 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-08 21:55:00,029 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,030 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,030 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-08 21:55:00,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-08 21:55:00,030 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,030 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-08 21:55:00,030 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-08 21:55:00,030 - INFO - problem_instance short name: h_c_n_0
-2024-12-08 21:55:00,030 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,030 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-08 21:55:00,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,031 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,031 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,031 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-08 21:55:00,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-08 21:55:00,032 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-08 21:55:00,045 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,045 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,045 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-08 21:55:00,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-08 21:55:00,045 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,045 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-08 21:55:00,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,047 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,047 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,047 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-08 21:55:00,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-08 21:55:00,047 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-08 21:55:00,059 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,060 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,060 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-08 21:55:00,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-08 21:55:00,060 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,060 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-08 21:55:00,060 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-08 21:55:00,060 - INFO - problem_instance short name: na2_0
-2024-12-08 21:55:00,060 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,060 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-08 21:55:00,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,061 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,061 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,061 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-08 21:55:00,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-08 21:55:00,061 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-08 21:55:00,074 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,074 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,074 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-08 21:55:00,074 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-08 21:55:00,074 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,074 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-08 21:55:00,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,076 - INFO - number of orbitals:  118
-2024-12-08 21:55:00,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:00,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:00,076 - INFO - moving on ...
-2024-12-08 21:55:00,076 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-08 21:55:00,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,077 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,077 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,077 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-08 21:55:00,077 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-08 21:55:00,077 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-08 21:55:00,089 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,090 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,090 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-08 21:55:00,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-08 21:55:00,090 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,090 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-08 21:55:00,090 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-08 21:55:00,090 - INFO - problem_instance short name: cl2_0
-2024-12-08 21:55:00,090 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,090 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-08 21:55:00,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,091 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,091 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,091 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-08 21:55:00,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-08 21:55:00,091 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-08 21:55:00,105 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,105 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,105 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-08 21:55:00,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-08 21:55:00,105 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,105 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-08 21:55:00,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,107 - INFO - number of orbitals:  118
-2024-12-08 21:55:00,107 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:00,107 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:00,107 - INFO - moving on ...
-2024-12-08 21:55:00,107 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-08 21:55:00,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,108 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,108 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,108 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-08 21:55:00,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-08 21:55:00,108 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-08 21:55:00,121 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,122 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,122 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-08 21:55:00,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-08 21:55:00,122 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,122 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-08 21:55:00,122 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-08 21:55:00,122 - INFO - problem_instance short name: c2_h6_0
-2024-12-08 21:55:00,122 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,122 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-08 21:55:00,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,123 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,123 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,124 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-08 21:55:00,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-08 21:55:00,124 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-08 21:55:00,137 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,137 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,138 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-08 21:55:00,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-08 21:55:00,138 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,138 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-08 21:55:00,138 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-08 21:55:00,138 - INFO - problem_instance short name: mn_mono
-2024-12-08 21:55:00,138 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,138 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-08 21:55:00,138 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,138 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,138 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,140 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,140 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,140 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-08 21:55:00,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-08 21:55:00,140 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-08 21:55:00,153 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,153 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,153 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-08 21:55:00,153 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,154 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,154 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,155 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,155 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,155 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-08 21:55:00,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-08 21:55:00,155 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-08 21:55:00,169 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,169 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,169 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-08 21:55:00,169 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,169 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,169 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,171 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,171 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,171 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-08 21:55:00,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-08 21:55:00,171 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-08 21:55:00,184 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,184 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,186 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-08 21:55:00,186 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,186 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,186 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,188 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,188 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,188 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-08 21:55:00,188 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-08 21:55:00,188 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-08 21:55:00,202 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,203 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,203 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-08 21:55:00,203 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,203 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,203 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,205 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,205 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,205 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-08 21:55:00,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-08 21:55:00,205 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-08 21:55:00,219 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,219 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,219 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-08 21:55:00,219 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,219 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,219 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,221 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,221 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,221 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-08 21:55:00,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-08 21:55:00,221 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-08 21:55:00,235 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,236 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,236 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-08 21:55:00,236 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,236 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,236 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,238 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,238 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,238 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-08 21:55:00,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-08 21:55:00,238 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-08 21:55:00,251 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,252 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,252 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-08 21:55:00,252 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,252 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,252 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,253 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,253 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,253 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-08 21:55:00,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-08 21:55:00,253 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-08 21:55:00,266 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,267 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,267 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-08 21:55:00,267 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-08 21:55:00,267 - INFO - problem_instance short name: CrO_0
-2024-12-08 21:55:00,267 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,267 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-08 21:55:00,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,268 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,268 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,268 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-08 21:55:00,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-08 21:55:00,268 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-08 21:55:00,282 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,282 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,282 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-08 21:55:00,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-08 21:55:00,282 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,282 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-08 21:55:00,283 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-08 21:55:00,283 - INFO - problem_instance short name: h_o_cl_0
-2024-12-08 21:55:00,283 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,283 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-08 21:55:00,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,284 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,284 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,284 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-08 21:55:00,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-08 21:55:00,284 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-08 21:55:00,298 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,298 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,298 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-08 21:55:00,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-08 21:55:00,298 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,298 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-08 21:55:00,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,299 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,299 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,299 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-08 21:55:00,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-08 21:55:00,299 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-08 21:55:00,312 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,313 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,313 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-08 21:55:00,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-08 21:55:00,313 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,313 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-08 21:55:00,313 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-08 21:55:00,313 - INFO - problem_instance short name: V_0
-2024-12-08 21:55:00,313 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,313 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-08 21:55:00,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,315 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,315 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,315 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-08 21:55:00,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-08 21:55:00,315 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-08 21:55:00,328 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,328 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,328 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-08 21:55:00,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-08 21:55:00,328 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,328 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-08 21:55:00,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,329 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,329 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,329 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-08 21:55:00,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-08 21:55:00,330 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-08 21:55:00,343 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,343 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,343 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-08 21:55:00,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-08 21:55:00,343 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,343 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-08 21:55:00,343 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-08 21:55:00,343 - INFO - problem_instance short name: h2_c_o_0
-2024-12-08 21:55:00,343 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,343 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-08 21:55:00,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,344 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,344 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,344 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-08 21:55:00,345 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-08 21:55:00,345 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-08 21:55:00,358 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,358 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,359 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-08 21:55:00,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-08 21:55:00,359 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,359 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-08 21:55:00,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,360 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,360 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,360 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-08 21:55:00,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-08 21:55:00,360 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-08 21:55:00,374 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,374 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,374 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-08 21:55:00,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-08 21:55:00,374 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,374 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-08 21:55:00,374 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-08 21:55:00,374 - INFO - problem_instance short name: blue_dimer
-2024-12-08 21:55:00,375 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,375 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-08 21:55:00,375 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,375 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,375 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,376 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,376 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,376 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-08 21:55:00,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-08 21:55:00,377 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-08 21:55:00,391 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,391 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,391 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-08 21:55:00,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,392 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,392 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,394 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,394 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,394 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-08 21:55:00,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-08 21:55:00,394 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-08 21:55:00,408 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,408 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,408 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-08 21:55:00,408 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,408 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,408 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,410 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,410 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,410 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-08 21:55:00,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-08 21:55:00,410 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-08 21:55:00,423 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,423 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,423 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-08 21:55:00,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,425 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,425 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,425 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-08 21:55:00,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-08 21:55:00,425 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-08 21:55:00,438 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,438 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,438 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-08 21:55:00,438 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,439 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,439 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,440 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,440 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,440 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-08 21:55:00,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-08 21:55:00,441 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-08 21:55:00,454 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,454 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,454 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-08 21:55:00,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,454 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,456 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,456 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,456 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-08 21:55:00,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-08 21:55:00,456 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-08 21:55:00,469 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,470 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,470 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-08 21:55:00,470 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,472 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,472 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,472 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-08 21:55:00,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-08 21:55:00,472 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-08 21:55:00,485 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,486 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,486 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-08 21:55:00,486 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,486 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,486 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,488 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,488 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,488 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-08 21:55:00,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-08 21:55:00,488 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-08 21:55:00,501 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,501 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,501 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-08 21:55:00,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,502 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,502 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,503 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,503 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,503 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-08 21:55:00,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-08 21:55:00,503 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-08 21:55:00,517 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,517 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,517 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-08 21:55:00,517 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,517 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,517 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,519 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,519 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,519 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-08 21:55:00,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-08 21:55:00,519 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-08 21:55:00,533 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,533 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,533 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-08 21:55:00,533 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,533 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,533 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,535 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,535 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,535 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-08 21:55:00,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-08 21:55:00,535 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-08 21:55:00,549 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,549 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,550 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-08 21:55:00,550 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,552 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,552 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,552 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-08 21:55:00,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-08 21:55:00,552 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-08 21:55:00,566 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,566 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,566 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-08 21:55:00,566 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-08 21:55:00,566 - INFO - problem_instance short name: h2_s_0
-2024-12-08 21:55:00,566 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,566 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-08 21:55:00,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,568 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,568 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,568 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-08 21:55:00,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-08 21:55:00,568 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-08 21:55:00,581 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,581 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,582 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-08 21:55:00,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-08 21:55:00,582 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,582 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-08 21:55:00,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,583 - INFO - number of orbitals:  119
-2024-12-08 21:55:00,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:00,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:00,583 - INFO - moving on ...
-2024-12-08 21:55:00,583 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-08 21:55:00,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,584 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,584 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,584 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-08 21:55:00,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-08 21:55:00,584 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-08 21:55:00,599 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,599 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,599 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-08 21:55:00,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-08 21:55:00,600 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,600 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-08 21:55:00,600 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-08 21:55:00,600 - INFO - problem_instance short name: h2_o_0
-2024-12-08 21:55:00,600 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,600 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-08 21:55:00,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,601 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,601 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,601 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-08 21:55:00,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-08 21:55:00,601 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-08 21:55:00,614 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,614 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,614 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-08 21:55:00,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-08 21:55:00,614 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,615 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-08 21:55:00,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,616 - INFO - number of orbitals:  115
-2024-12-08 21:55:00,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:00,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:00,616 - INFO - moving on ...
-2024-12-08 21:55:00,616 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-08 21:55:00,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,617 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,617 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,617 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-08 21:55:00,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-08 21:55:00,617 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-08 21:55:00,631 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,631 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,631 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-08 21:55:00,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-08 21:55:00,631 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,631 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-08 21:55:00,631 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-08 21:55:00,631 - INFO - problem_instance short name: si2_h6_0
-2024-12-08 21:55:00,631 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,631 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-08 21:55:00,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,633 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,633 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,633 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-08 21:55:00,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-08 21:55:00,633 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-08 21:55:00,646 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,647 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,647 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-08 21:55:00,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-08 21:55:00,647 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,647 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-08 21:55:00,647 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-08 21:55:00,647 - INFO - problem_instance short name: Cu_0
-2024-12-08 21:55:00,647 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,647 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-08 21:55:00,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,648 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,648 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,648 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-08 21:55:00,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-08 21:55:00,648 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-08 21:55:00,660 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,661 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,661 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-08 21:55:00,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-08 21:55:00,661 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,661 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-08 21:55:00,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,662 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,662 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,662 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-08 21:55:00,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-08 21:55:00,662 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-08 21:55:00,674 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,674 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,674 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-08 21:55:00,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-08 21:55:00,674 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,674 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-08 21:55:00,675 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-08 21:55:00,675 - INFO - problem_instance short name: Cr_1
-2024-12-08 21:55:00,675 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,675 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-08 21:55:00,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,676 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,676 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,676 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-08 21:55:00,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-08 21:55:00,676 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-08 21:55:00,688 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,688 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,688 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-08 21:55:00,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-08 21:55:00,688 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,688 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-08 21:55:00,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,689 - INFO - number of orbitals:  135
-2024-12-08 21:55:00,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:00,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:00,690 - INFO - moving on ...
-2024-12-08 21:55:00,690 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-08 21:55:00,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,691 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,691 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,691 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-08 21:55:00,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-08 21:55:00,691 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-08 21:55:00,704 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,704 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,704 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-08 21:55:00,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-08 21:55:00,704 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,704 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-08 21:55:00,704 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-08 21:55:00,704 - INFO - problem_instance short name: ru_macho
-2024-12-08 21:55:00,704 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,704 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-08 21:55:00,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,704 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,706 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,706 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,706 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-08 21:55:00,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-08 21:55:00,706 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-08 21:55:00,719 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,720 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,720 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-08 21:55:00,720 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,720 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,720 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,722 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,722 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,722 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-08 21:55:00,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-08 21:55:00,722 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-08 21:55:00,735 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,735 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,735 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-08 21:55:00,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,737 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,737 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,737 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-08 21:55:00,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-08 21:55:00,737 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-08 21:55:00,750 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,750 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,750 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-08 21:55:00,750 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,752 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,752 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,753 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-08 21:55:00,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-08 21:55:00,753 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-08 21:55:00,767 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,768 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,768 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-08 21:55:00,768 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,768 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,768 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,770 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,770 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,770 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-08 21:55:00,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-08 21:55:00,770 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-08 21:55:00,784 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,784 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,784 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-08 21:55:00,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,786 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,786 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,786 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-08 21:55:00,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-08 21:55:00,786 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-08 21:55:00,798 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,799 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,799 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-08 21:55:00,799 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,799 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,799 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,801 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,801 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,801 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-08 21:55:00,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-08 21:55:00,801 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-08 21:55:00,813 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,814 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,814 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-08 21:55:00,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,815 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,816 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,816 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-08 21:55:00,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-08 21:55:00,816 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-08 21:55:00,828 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,828 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,828 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-08 21:55:00,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,830 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,830 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,830 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-08 21:55:00,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-08 21:55:00,830 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-08 21:55:00,842 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,843 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,843 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-08 21:55:00,843 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-08 21:55:00,843 - INFO - problem_instance short name: c_o_0
-2024-12-08 21:55:00,843 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,843 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-08 21:55:00,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,844 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,844 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,844 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-08 21:55:00,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-08 21:55:00,844 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-08 21:55:00,858 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,858 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,858 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-08 21:55:00,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-08 21:55:00,858 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,858 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-08 21:55:00,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,859 - INFO - number of orbitals:  110
-2024-12-08 21:55:00,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:00,859 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:00,859 - INFO - moving on ...
-2024-12-08 21:55:00,859 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-08 21:55:00,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,860 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,861 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,861 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-08 21:55:00,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-08 21:55:00,861 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-08 21:55:00,874 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,874 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,874 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-08 21:55:00,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-08 21:55:00,874 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,874 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-08 21:55:00,874 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-08 21:55:00,874 - INFO - problem_instance short name: Ti_1
-2024-12-08 21:55:00,874 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,875 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-08 21:55:00,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,876 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,876 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,876 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-08 21:55:00,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-08 21:55:00,876 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-08 21:55:00,890 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,890 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,890 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-08 21:55:00,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-08 21:55:00,890 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,890 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-08 21:55:00,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,892 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,892 - INFO - number of supporting files: 2
-2024-12-08 21:55:00,892 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-08 21:55:00,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-08 21:55:00,892 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-08 21:55:00,906 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,906 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,906 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-08 21:55:00,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-08 21:55:00,906 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:00,906 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-08 21:55:00,906 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-08 21:55:00,907 - INFO - problem_instance short name: fe_red
-2024-12-08 21:55:00,907 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-08 21:55:00,907 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-08 21:55:00,907 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,907 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,907 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,909 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,909 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,909 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-08 21:55:00,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-08 21:55:00,909 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-08 21:55:00,922 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,923 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,923 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-08 21:55:00,923 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,923 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,923 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,924 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,924 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,925 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-08 21:55:00,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-08 21:55:00,925 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-08 21:55:00,939 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,939 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,939 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-08 21:55:00,940 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,940 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,940 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,942 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,942 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,943 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-08 21:55:00,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-08 21:55:00,943 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-08 21:55:00,955 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,956 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,956 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-08 21:55:00,956 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,956 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,956 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,958 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,958 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,958 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-08 21:55:00,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-08 21:55:00,958 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-08 21:55:00,970 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,971 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,971 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-08 21:55:00,971 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,971 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,971 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,973 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,973 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,973 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-08 21:55:00,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-08 21:55:00,973 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-08 21:55:00,986 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:00,986 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-08 21:55:00,986 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-08 21:55:00,986 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:00,986 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:00,986 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:00,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:00,988 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:00,988 - INFO - number of supporting files: 1
-2024-12-08 21:55:00,988 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-08 21:55:00,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-08 21:55:00,988 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-08 21:55:01,001 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,001 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,002 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-08 21:55:01,002 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:01,002 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:01,002 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:01,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,004 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,004 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,004 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-08 21:55:01,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-08 21:55:01,004 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-08 21:55:01,018 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,019 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,019 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-08 21:55:01,019 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:01,019 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:01,019 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:01,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,021 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,021 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,021 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-08 21:55:01,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-08 21:55:01,021 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-08 21:55:01,035 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,036 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,036 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-08 21:55:01,036 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:01,036 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:01,036 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:01,037 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,038 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,038 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,038 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-08 21:55:01,038 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-08 21:55:01,038 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-08 21:55:01,052 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,052 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,052 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-08 21:55:01,053 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-08 21:55:01,053 - INFO - problem_instance short name: O_0
-2024-12-08 21:55:01,053 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,053 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-08 21:55:01,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,054 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,054 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,054 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-08 21:55:01,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-08 21:55:01,054 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-08 21:55:01,068 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,068 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,068 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-08 21:55:01,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-08 21:55:01,068 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,068 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-08 21:55:01,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,070 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,070 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,070 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-08 21:55:01,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-08 21:55:01,070 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-08 21:55:01,083 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,083 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,083 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-08 21:55:01,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-08 21:55:01,083 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,084 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-08 21:55:01,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,085 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,085 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,085 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-08 21:55:01,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-08 21:55:01,085 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-08 21:55:01,099 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,099 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,099 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-08 21:55:01,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-08 21:55:01,100 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,100 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-08 21:55:01,100 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-08 21:55:01,100 - INFO - problem_instance short name: c2_h2_0
-2024-12-08 21:55:01,100 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,100 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-08 21:55:01,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,101 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,101 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,101 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-08 21:55:01,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-08 21:55:01,101 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-08 21:55:01,115 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,116 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,116 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-08 21:55:01,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-08 21:55:01,116 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,116 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-08 21:55:01,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,117 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,117 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,117 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-08 21:55:01,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-08 21:55:01,117 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-08 21:55:01,131 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,131 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,131 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-08 21:55:01,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-08 21:55:01,132 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,132 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-08 21:55:01,132 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-08 21:55:01,132 - INFO - problem_instance short name: c_o2_0
-2024-12-08 21:55:01,132 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,132 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-08 21:55:01,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,133 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,133 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,133 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-08 21:55:01,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-08 21:55:01,133 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-08 21:55:01,146 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,146 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,147 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-08 21:55:01,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-08 21:55:01,147 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,147 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-08 21:55:01,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,148 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,148 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,148 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-08 21:55:01,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-08 21:55:01,148 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-08 21:55:01,161 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,161 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,161 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-08 21:55:01,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-08 21:55:01,161 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,161 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-08 21:55:01,162 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-08 21:55:01,162 - INFO - problem_instance short name: planted_solution_0001
-2024-12-08 21:55:01,162 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,162 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-08 21:55:01,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,163 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,163 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,163 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-08 21:55:01,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-08 21:55:01,163 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-08 21:55:01,176 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,176 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,176 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-08 21:55:01,176 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-08 21:55:01,176 - INFO - problem_instance short name: f2_0
-2024-12-08 21:55:01,176 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,176 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-08 21:55:01,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,177 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,177 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,177 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-08 21:55:01,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-08 21:55:01,177 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-08 21:55:01,190 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,191 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,191 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-08 21:55:01,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-08 21:55:01,191 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,191 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-08 21:55:01,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,192 - INFO - number of orbitals:  110
-2024-12-08 21:55:01,192 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:01,192 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:01,192 - INFO - moving on ...
-2024-12-08 21:55:01,192 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-08 21:55:01,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,193 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,193 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,193 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-08 21:55:01,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-08 21:55:01,193 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-08 21:55:01,207 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,207 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,207 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-08 21:55:01,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-08 21:55:01,207 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,207 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-08 21:55:01,207 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-08 21:55:01,207 - INFO - problem_instance short name: si_h4_0
-2024-12-08 21:55:01,207 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,207 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-08 21:55:01,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,209 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,209 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,209 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-08 21:55:01,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-08 21:55:01,209 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-08 21:55:01,222 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,222 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,222 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-08 21:55:01,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-08 21:55:01,222 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,222 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-08 21:55:01,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,223 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,223 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,223 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-08 21:55:01,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-08 21:55:01,224 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-08 21:55:01,237 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,237 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,238 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-08 21:55:01,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-08 21:55:01,238 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,238 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-08 21:55:01,238 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-08 21:55:01,238 - INFO - problem_instance short name: planted_solution_0003
-2024-12-08 21:55:01,238 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,238 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-08 21:55:01,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,239 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,239 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,239 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-08 21:55:01,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-08 21:55:01,239 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-08 21:55:01,252 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,252 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,252 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-08 21:55:01,252 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-08 21:55:01,252 - INFO - problem_instance short name: c_s_0
-2024-12-08 21:55:01,252 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,252 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-08 21:55:01,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,254 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,254 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,254 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-08 21:55:01,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-08 21:55:01,254 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-08 21:55:01,267 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,267 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,267 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-08 21:55:01,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-08 21:55:01,267 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,267 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-08 21:55:01,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,268 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,268 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,268 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-08 21:55:01,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-08 21:55:01,269 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-08 21:55:01,282 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,282 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,283 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-08 21:55:01,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-08 21:55:01,283 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,283 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-08 21:55:01,283 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-08 21:55:01,283 - INFO - problem_instance short name: be_0
-2024-12-08 21:55:01,283 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,283 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-08 21:55:01,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,284 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,284 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,285 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-08 21:55:01,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-08 21:55:01,285 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-08 21:55:01,299 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,299 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,299 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-08 21:55:01,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-08 21:55:01,299 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,299 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-08 21:55:01,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,300 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,300 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,300 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-08 21:55:01,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-08 21:55:01,301 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-08 21:55:01,315 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,316 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,316 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-08 21:55:01,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-08 21:55:01,316 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,316 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-08 21:55:01,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,317 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,317 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,317 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-08 21:55:01,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-08 21:55:01,317 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-08 21:55:01,331 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,331 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,331 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-08 21:55:01,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-08 21:55:01,331 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,331 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-08 21:55:01,331 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-08 21:55:01,331 - INFO - problem_instance short name: li_f_0
-2024-12-08 21:55:01,331 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,331 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-08 21:55:01,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,333 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,333 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,333 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-08 21:55:01,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-08 21:55:01,333 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-08 21:55:01,346 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,347 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,347 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-08 21:55:01,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-08 21:55:01,347 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,347 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-08 21:55:01,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,348 - INFO - number of orbitals:  110
-2024-12-08 21:55:01,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:01,348 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:01,348 - INFO - moving on ...
-2024-12-08 21:55:01,348 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-08 21:55:01,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,349 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,349 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,350 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-08 21:55:01,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-08 21:55:01,350 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-08 21:55:01,362 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,362 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,362 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-08 21:55:01,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-08 21:55:01,362 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,362 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-08 21:55:01,363 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-08 21:55:01,363 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-08 21:55:01,363 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,363 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-08 21:55:01,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,364 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,364 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,364 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-08 21:55:01,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-08 21:55:01,364 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-08 21:55:01,376 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,377 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,377 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-08 21:55:01,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-08 21:55:01,377 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,377 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-08 21:55:01,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,378 - INFO - number of orbitals:  106
-2024-12-08 21:55:01,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:01,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:01,378 - INFO - moving on ...
-2024-12-08 21:55:01,378 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-08 21:55:01,378 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-08 21:55:01,378 - INFO - problem_instance short name: Sc_0
-2024-12-08 21:55:01,378 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,378 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-08 21:55:01,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,379 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,380 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,380 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-08 21:55:01,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-08 21:55:01,380 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-08 21:55:01,394 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,394 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,394 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-08 21:55:01,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-08 21:55:01,395 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,395 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-08 21:55:01,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,396 - INFO - number of orbitals:  135
-2024-12-08 21:55:01,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:01,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:01,396 - INFO - moving on ...
-2024-12-08 21:55:01,396 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-08 21:55:01,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,397 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,397 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,397 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-08 21:55:01,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-08 21:55:01,397 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-08 21:55:01,410 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,411 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,411 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-08 21:55:01,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-08 21:55:01,411 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,411 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-08 21:55:01,411 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-08 21:55:01,411 - INFO - problem_instance short name: planted_solution_0005
-2024-12-08 21:55:01,411 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,411 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-08 21:55:01,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,413 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,413 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,413 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-08 21:55:01,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-08 21:55:01,413 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-08 21:55:01,427 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,427 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,427 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-08 21:55:01,428 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-08 21:55:01,428 - INFO - problem_instance short name: Fe_0
-2024-12-08 21:55:01,428 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,428 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-08 21:55:01,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,429 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,429 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,429 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-08 21:55:01,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-08 21:55:01,429 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-08 21:55:01,443 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,443 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,443 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-08 21:55:01,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-08 21:55:01,444 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,444 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-08 21:55:01,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,445 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,445 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,445 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-08 21:55:01,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-08 21:55:01,445 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-08 21:55:01,459 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,459 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,459 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-08 21:55:01,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-08 21:55:01,459 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,459 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-08 21:55:01,459 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-08 21:55:01,459 - INFO - problem_instance short name: Ti_0
-2024-12-08 21:55:01,459 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,459 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-08 21:55:01,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,461 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,461 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,461 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-08 21:55:01,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-08 21:55:01,461 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-08 21:55:01,474 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,475 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,475 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-08 21:55:01,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-08 21:55:01,475 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,475 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-08 21:55:01,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,476 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,476 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,476 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-08 21:55:01,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-08 21:55:01,476 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-08 21:55:01,490 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,491 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,491 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-08 21:55:01,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-08 21:55:01,491 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,491 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-08 21:55:01,491 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-08 21:55:01,491 - INFO - problem_instance short name: FeO_0
-2024-12-08 21:55:01,491 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,491 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-08 21:55:01,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,492 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,492 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,493 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-08 21:55:01,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-08 21:55:01,493 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-08 21:55:01,506 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,507 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,507 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-08 21:55:01,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-08 21:55:01,507 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,507 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-08 21:55:01,507 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-08 21:55:01,507 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-08 21:55:01,507 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,507 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-08 21:55:01,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,509 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,509 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,509 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-08 21:55:01,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-08 21:55:01,509 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-08 21:55:01,522 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,523 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,523 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-08 21:55:01,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-08 21:55:01,523 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,523 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-08 21:55:01,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,524 - INFO - number of orbitals:  116
-2024-12-08 21:55:01,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:01,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:01,524 - INFO - moving on ...
-2024-12-08 21:55:01,524 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-08 21:55:01,524 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-08 21:55:01,524 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-08 21:55:01,524 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,524 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-08 21:55:01,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,526 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,526 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,526 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-08 21:55:01,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-08 21:55:01,526 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-08 21:55:01,539 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,539 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,539 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-08 21:55:01,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-08 21:55:01,539 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,539 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-08 21:55:01,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,541 - INFO - number of orbitals:  119
-2024-12-08 21:55:01,541 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:01,541 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:01,541 - INFO - moving on ...
-2024-12-08 21:55:01,541 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-08 21:55:01,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,542 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,542 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,542 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-08 21:55:01,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-08 21:55:01,542 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-08 21:55:01,556 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,557 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,557 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-08 21:55:01,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-08 21:55:01,557 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,557 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-08 21:55:01,557 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-08 21:55:01,557 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-08 21:55:01,557 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,557 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-08 21:55:01,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,558 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,559 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,559 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-08 21:55:01,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-08 21:55:01,559 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-08 21:55:01,572 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,572 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,572 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-08 21:55:01,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-08 21:55:01,573 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,573 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-08 21:55:01,573 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-08 21:55:01,573 - INFO - problem_instance short name: ru_mono
-2024-12-08 21:55:01,573 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,573 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-08 21:55:01,573 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:01,573 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:01,573 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:01,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,575 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,575 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,575 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-08 21:55:01,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-08 21:55:01,575 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-08 21:55:01,589 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,589 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,589 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-08 21:55:01,589 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:01,589 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:01,589 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:01,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,591 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,591 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,591 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-08 21:55:01,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-08 21:55:01,591 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-08 21:55:01,604 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,605 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,605 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-08 21:55:01,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:01,605 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:01,605 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:01,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,607 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,607 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,607 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-08 21:55:01,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-08 21:55:01,607 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-08 21:55:01,621 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,621 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,621 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-08 21:55:01,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:01,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:01,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:01,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,623 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,623 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,623 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-08 21:55:01,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-08 21:55:01,624 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-08 21:55:01,637 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,638 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,638 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-08 21:55:01,638 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:01,638 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:01,638 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:01,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,640 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,640 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,640 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-08 21:55:01,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-08 21:55:01,640 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-08 21:55:01,654 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,654 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,654 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-08 21:55:01,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:01,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:01,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:01,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,657 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,657 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,657 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-08 21:55:01,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-08 21:55:01,657 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-08 21:55:01,671 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,672 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,672 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-08 21:55:01,672 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-08 21:55:01,672 - INFO - problem_instance short name: h2_o2_0
-2024-12-08 21:55:01,672 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,672 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-08 21:55:01,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,673 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,673 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,673 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-08 21:55:01,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-08 21:55:01,673 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-08 21:55:01,687 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,688 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,688 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-08 21:55:01,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-08 21:55:01,688 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,688 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-08 21:55:01,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,689 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,689 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,689 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-08 21:55:01,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-08 21:55:01,689 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-08 21:55:01,703 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,703 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,703 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-08 21:55:01,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-08 21:55:01,703 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,703 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-08 21:55:01,703 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-08 21:55:01,704 - INFO - problem_instance short name: li2_0
-2024-12-08 21:55:01,704 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,704 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-08 21:55:01,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,705 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,705 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,705 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-08 21:55:01,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-08 21:55:01,705 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-08 21:55:01,718 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,719 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,719 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-08 21:55:01,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-08 21:55:01,719 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,719 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-08 21:55:01,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,720 - INFO - number of orbitals:  110
-2024-12-08 21:55:01,720 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:01,720 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:01,720 - INFO - moving on ...
-2024-12-08 21:55:01,720 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-08 21:55:01,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,721 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,721 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,721 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-08 21:55:01,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-08 21:55:01,722 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-08 21:55:01,735 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,736 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,736 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-08 21:55:01,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-08 21:55:01,736 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,736 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-08 21:55:01,736 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-08 21:55:01,736 - INFO - problem_instance short name: planted_solution_0004
-2024-12-08 21:55:01,736 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,736 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-08 21:55:01,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,737 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,738 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,738 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-08 21:55:01,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-08 21:55:01,738 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-08 21:55:01,753 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,754 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,754 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-08 21:55:01,754 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-08 21:55:01,754 - INFO - problem_instance short name: p_h3_0
-2024-12-08 21:55:01,754 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,754 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-08 21:55:01,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,755 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,755 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,755 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-08 21:55:01,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-08 21:55:01,756 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-08 21:55:01,769 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,770 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,770 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-08 21:55:01,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-08 21:55:01,770 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,770 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-08 21:55:01,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,771 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,771 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,771 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-08 21:55:01,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-08 21:55:01,771 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-08 21:55:01,785 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,785 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,785 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-08 21:55:01,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-08 21:55:01,785 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,785 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-08 21:55:01,786 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-08 21:55:01,786 - INFO - problem_instance short name: O_1
-2024-12-08 21:55:01,786 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,786 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-08 21:55:01,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,787 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,787 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,787 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-08 21:55:01,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-08 21:55:01,787 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-08 21:55:01,801 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,801 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,801 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-08 21:55:01,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-08 21:55:01,801 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,801 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-08 21:55:01,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,802 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,802 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,802 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-08 21:55:01,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-08 21:55:01,803 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-08 21:55:01,816 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,816 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,816 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-08 21:55:01,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-08 21:55:01,816 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,816 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-08 21:55:01,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,817 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,818 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,818 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-08 21:55:01,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-08 21:55:01,818 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-08 21:55:01,831 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,831 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,831 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-08 21:55:01,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-08 21:55:01,831 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,831 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-08 21:55:01,831 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-08 21:55:01,831 - INFO - problem_instance short name: h_cl_0
-2024-12-08 21:55:01,831 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,832 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-08 21:55:01,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,833 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,833 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,833 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-08 21:55:01,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-08 21:55:01,833 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-08 21:55:01,846 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,846 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,846 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-08 21:55:01,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-08 21:55:01,846 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,846 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-08 21:55:01,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,847 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,848 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,848 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-08 21:55:01,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-08 21:55:01,848 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-08 21:55:01,861 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,861 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,861 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-08 21:55:01,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-08 21:55:01,861 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,861 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-08 21:55:01,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,862 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,862 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,862 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-08 21:55:01,862 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-08 21:55:01,863 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-08 21:55:01,876 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,877 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,877 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-08 21:55:01,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-08 21:55:01,877 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,877 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-08 21:55:01,877 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-08 21:55:01,877 - INFO - problem_instance short name: n2_0
-2024-12-08 21:55:01,877 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,877 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-08 21:55:01,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,878 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,879 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,879 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-08 21:55:01,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-08 21:55:01,879 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-08 21:55:01,892 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,893 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,893 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-08 21:55:01,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-08 21:55:01,893 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,893 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-08 21:55:01,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,895 - INFO - number of orbitals:  110
-2024-12-08 21:55:01,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:01,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:01,895 - INFO - moving on ...
-2024-12-08 21:55:01,895 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-08 21:55:01,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,896 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,896 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,896 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-08 21:55:01,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-08 21:55:01,896 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-08 21:55:01,911 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,911 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,911 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-08 21:55:01,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-08 21:55:01,911 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,911 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-08 21:55:01,912 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-08 21:55:01,912 - INFO - problem_instance short name: planted_solution_0002
-2024-12-08 21:55:01,912 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,912 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-08 21:55:01,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,913 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,913 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,913 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-08 21:55:01,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-08 21:55:01,913 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-08 21:55:01,927 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,927 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,927 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-08 21:55:01,928 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-08 21:55:01,928 - INFO - problem_instance short name: c_h4_0
-2024-12-08 21:55:01,928 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,928 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-08 21:55:01,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,929 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,929 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,929 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-08 21:55:01,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-08 21:55:01,929 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-08 21:55:01,943 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,943 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,943 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-08 21:55:01,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-08 21:55:01,944 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,944 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-08 21:55:01,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,945 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,945 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,945 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-08 21:55:01,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-08 21:55:01,945 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-08 21:55:01,959 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,959 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,960 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-08 21:55:01,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-08 21:55:01,960 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,960 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-08 21:55:01,960 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-08 21:55:01,960 - INFO - problem_instance short name: ScO_0
-2024-12-08 21:55:01,960 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,960 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-08 21:55:01,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,961 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,961 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,961 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-08 21:55:01,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-08 21:55:01,961 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-08 21:55:01,975 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,976 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,976 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-08 21:55:01,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-08 21:55:01,976 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:01,976 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-08 21:55:01,976 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-08 21:55:01,976 - INFO - problem_instance short name: planted_solution_0010
-2024-12-08 21:55:01,976 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,976 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-08 21:55:01,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,977 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,977 - INFO - number of supporting files: 1
-2024-12-08 21:55:01,977 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-08 21:55:01,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-08 21:55:01,977 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-08 21:55:01,991 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:01,992 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-08 21:55:01,992 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-08 21:55:01,992 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-08 21:55:01,992 - INFO - problem_instance short name: CuO_0
-2024-12-08 21:55:01,992 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:01,992 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-08 21:55:01,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:01,993 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:01,993 - INFO - number of supporting files: 2
-2024-12-08 21:55:01,993 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-08 21:55:01,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-08 21:55:01,994 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-08 21:55:02,007 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,008 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,008 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-08 21:55:02,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-08 21:55:02,008 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,008 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-08 21:55:02,008 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-08 21:55:02,008 - INFO - problem_instance short name: VO_0
-2024-12-08 21:55:02,008 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,008 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-08 21:55:02,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,009 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,010 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,010 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-08 21:55:02,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-08 21:55:02,010 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-08 21:55:02,024 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,024 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,024 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-08 21:55:02,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-08 21:55:02,024 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,025 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-08 21:55:02,025 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-08 21:55:02,025 - INFO - problem_instance short name: si_o_0
-2024-12-08 21:55:02,025 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,025 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-08 21:55:02,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,026 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,026 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,026 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-08 21:55:02,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-08 21:55:02,026 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-08 21:55:02,040 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,040 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,040 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-08 21:55:02,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-08 21:55:02,041 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,041 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-08 21:55:02,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,042 - INFO - number of orbitals:  114
-2024-12-08 21:55:02,042 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:02,042 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:02,042 - INFO - moving on ...
-2024-12-08 21:55:02,042 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-08 21:55:02,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,043 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,043 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,043 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-08 21:55:02,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-08 21:55:02,043 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-08 21:55:02,058 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,058 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,058 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-08 21:55:02,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-08 21:55:02,058 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,058 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-08 21:55:02,058 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-08 21:55:02,058 - INFO - problem_instance short name: mo_n2
-2024-12-08 21:55:02,058 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,058 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-08 21:55:02,059 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:02,059 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:02,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:02,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,060 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,060 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,060 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-08 21:55:02,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-08 21:55:02,061 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-08 21:55:02,075 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,075 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,075 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-08 21:55:02,075 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:02,075 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:02,075 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:02,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,077 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,077 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,077 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-08 21:55:02,077 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-08 21:55:02,077 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-08 21:55:02,091 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,091 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,091 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-08 21:55:02,091 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:02,091 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:02,091 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:02,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,093 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,093 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,093 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-08 21:55:02,093 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-08 21:55:02,093 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-08 21:55:02,107 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,107 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,107 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-08 21:55:02,107 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:02,107 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:02,107 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:02,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,109 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,109 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,109 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-08 21:55:02,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-08 21:55:02,109 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-08 21:55:02,123 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,124 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,124 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-08 21:55:02,124 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-08 21:55:02,124 - INFO - problem_instance short name: MnO_0
-2024-12-08 21:55:02,124 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,124 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-08 21:55:02,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,126 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,126 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,126 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-08 21:55:02,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-08 21:55:02,126 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-08 21:55:02,140 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,140 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,140 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-08 21:55:02,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-08 21:55:02,140 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,140 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-08 21:55:02,141 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-08 21:55:02,141 - INFO - problem_instance short name: mo2_n2
-2024-12-08 21:55:02,141 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,141 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-08 21:55:02,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:02,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:02,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:02,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,143 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,143 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,143 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-08 21:55:02,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-08 21:55:02,143 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-08 21:55:02,157 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,157 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,157 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-08 21:55:02,157 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:02,158 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:02,158 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:02,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,159 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,159 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,159 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-08 21:55:02,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-08 21:55:02,160 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-08 21:55:02,174 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,174 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,174 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-08 21:55:02,174 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:02,174 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:02,174 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:02,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,176 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,176 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,176 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-08 21:55:02,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-08 21:55:02,176 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-08 21:55:02,190 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,191 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,191 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-08 21:55:02,191 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-08 21:55:02,191 - INFO - problem_instance short name: benzene
-2024-12-08 21:55:02,191 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,191 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-08 21:55:02,191 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:02,191 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:02,191 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:02,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,193 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,193 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,193 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-08 21:55:02,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-08 21:55:02,193 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-08 21:55:02,207 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,207 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,208 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-08 21:55:02,208 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-08 21:55:02,208 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-08 21:55:02,208 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-08 21:55:02,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,210 - INFO - number of orbitals:  108
-2024-12-08 21:55:02,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-08 21:55:02,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-08 21:55:02,210 - INFO - moving on ...
-2024-12-08 21:55:02,210 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-08 21:55:02,210 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-08 21:55:02,210 - INFO - problem_instance short name: planted_solution_0006
-2024-12-08 21:55:02,210 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,210 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-08 21:55:02,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,211 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,211 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,211 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-08 21:55:02,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-08 21:55:02,211 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-08 21:55:02,225 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,225 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,225 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-08 21:55:02,225 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-08 21:55:02,225 - INFO - problem_instance short name: V_1
-2024-12-08 21:55:02,225 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,226 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-08 21:55:02,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,227 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,227 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,227 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-08 21:55:02,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-08 21:55:02,227 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-08 21:55:02,241 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,242 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,242 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-08 21:55:02,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-08 21:55:02,242 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,242 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-08 21:55:02,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,243 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,243 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,243 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-08 21:55:02,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-08 21:55:02,244 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-08 21:55:02,258 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,258 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,258 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-08 21:55:02,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-08 21:55:02,259 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,259 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-08 21:55:02,259 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-08 21:55:02,259 - INFO - problem_instance short name: Fe_1
-2024-12-08 21:55:02,259 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,259 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-08 21:55:02,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,260 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,260 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,260 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-08 21:55:02,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-08 21:55:02,260 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-08 21:55:02,276 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,276 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,276 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-08 21:55:02,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-08 21:55:02,276 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,276 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-08 21:55:02,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,278 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,278 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,278 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-08 21:55:02,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-08 21:55:02,278 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-08 21:55:02,292 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,293 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,293 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-08 21:55:02,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-08 21:55:02,293 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,293 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-08 21:55:02,293 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-08 21:55:02,293 - INFO - problem_instance short name: planted_solution_0007
-2024-12-08 21:55:02,293 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,293 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-08 21:55:02,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,294 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,294 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,294 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-08 21:55:02,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-08 21:55:02,295 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-08 21:55:02,309 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,309 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,309 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-08 21:55:02,309 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-08 21:55:02,310 - INFO - problem_instance short name: planted_solution_0008
-2024-12-08 21:55:02,310 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,310 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-08 21:55:02,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,311 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,311 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,311 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-08 21:55:02,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-08 21:55:02,311 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-08 21:55:02,325 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,325 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,325 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-08 21:55:02,325 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-08 21:55:02,325 - INFO - problem_instance short name: planted_solution_0009
-2024-12-08 21:55:02,326 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,326 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-08 21:55:02,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,327 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,327 - INFO - number of supporting files: 1
-2024-12-08 21:55:02,327 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-08 21:55:02,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-08 21:55:02,327 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-08 21:55:02,341 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,341 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,341 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-08 21:55:02,341 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-08 21:55:02,341 - INFO - problem_instance short name: li_h_0
-2024-12-08 21:55:02,341 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,341 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-08 21:55:02,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,343 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,343 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,343 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-08 21:55:02,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-08 21:55:02,343 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-08 21:55:02,357 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,357 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,357 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-08 21:55:02,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-08 21:55:02,357 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,357 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-08 21:55:02,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,359 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,359 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,359 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-08 21:55:02,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-08 21:55:02,359 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-08 21:55:02,372 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,373 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,373 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-08 21:55:02,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-08 21:55:02,373 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,373 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-08 21:55:02,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,374 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,374 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,374 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-08 21:55:02,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-08 21:55:02,374 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-08 21:55:02,388 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,388 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,389 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-08 21:55:02,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-08 21:55:02,389 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,389 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-08 21:55:02,389 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-08 21:55:02,389 - INFO - problem_instance short name: s_o2_0
-2024-12-08 21:55:02,389 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-08 21:55:02,389 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-08 21:55:02,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,390 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,390 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,390 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-08 21:55:02,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-08 21:55:02,390 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-08 21:55:02,404 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,404 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-08 21:55:02,405 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-08 21:55:02,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-08 21:55:02,405 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-08 21:55:02,405 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-08 21:55:02,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-08 21:55:02,406 - INFO - attempting to process the Hamiltonian...
-2024-12-08 21:55:02,406 - INFO - number of supporting files: 2
-2024-12-08 21:55:02,406 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-08 21:55:02,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
-2024-12-08 21:55:02,406 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
-2024-12-08 21:55:02,419 - INFO - number of entries in Hamiltonian_features.csv:  208
-2024-12-08 21:55:02,419 - INFO - did NOT find instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 in database.
-2024-12-08 21:55:02,420 - INFO - Processing instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 ...
-2024-12-08 21:55:02,420 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz...
-2024-12-08 21:55:02,424 - INFO - Connected (version 2.0, client 0)
-2024-12-08 21:55:02,955 - INFO - Authentication (publickey) successful!
-2024-12-08 21:55:02,970 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-08 21:56:06,547 - INFO - [chan 0] sftp session closed.
-2024-12-08 21:56:06,548 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-08 21:56:06,548 - INFO - decompressing file fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz...
-2024-12-08 21:56:09,704 - INFO - this script has been running for 107.83 hours.
-2024-12-08 21:56:09,704 - INFO - ===============================================
-2024-12-08 21:56:09,704 - INFO - calculating Hamiltonian features...
-2024-12-08 21:56:09,704 - INFO - reading data from fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4
-2024-12-08 21:56:36,180 - INFO - finished reading FCIDUMP data.
-2024-12-08 21:56:36,180 - INFO - data['NORB']: 94
-2024-12-08 21:56:36,180 - INFO - len(data['H1']): 94
-2024-12-08 21:56:36,180 - INFO - ao2mo.restore...
-2024-12-08 21:56:36,294 - INFO - done.
-2024-12-08 21:56:36,295 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-08 21:56:36,295 - INFO - done.
-2024-12-08 21:56:36,295 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-09 00:56:01,762 - INFO - done.
-2024-12-09 00:56:01,762 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-09 01:05:22,913 - INFO - done.
-2024-12-09 01:05:22,913 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-09 01:06:30,751 - INFO - done.
-2024-12-09 01:06:30,751 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-09 01:06:53,682 - INFO - done.
-2024-12-09 01:06:53,682 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-09 01:06:53,683 - INFO - done.
-2024-12-09 01:06:53,683 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-09 01:06:53,683 - INFO - done.
-2024-12-09 01:06:59,561 - INFO - Hamiltonian features calculation run time (seconds): 11449.856551
-2024-12-09 01:06:59,561 - INFO - wrote df_eigs to file: df_eigs.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.bin
-2024-12-09 01:06:59,561 - INFO - deleting file fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-09 01:06:59,635 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-09 01:06:59,637 - INFO - this script has been running for 111.01 hours.
-2024-12-09 01:06:59,637 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
-2024-12-09 01:06:59,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
-2024-12-09 01:06:59,637 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:06:59,637 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 01:06:59,637 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 01:06:59,637 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 01:06:59,637 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:06:59,637 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 01:06:59,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,639 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,639 - INFO - number of supporting files: 2
-2024-12-09 01:06:59,639 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 01:06:59,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 01:06:59,639 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 01:06:59,654 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,654 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,654 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 01:06:59,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 01:06:59,655 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:06:59,655 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 01:06:59,655 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 01:06:59,655 - INFO - problem_instance short name: cr_dimer
-2024-12-09 01:06:59,655 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 01:06:59,655 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 01:06:59,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,657 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,657 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,657 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 01:06:59,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 01:06:59,657 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 01:06:59,671 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,671 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,672 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 01:06:59,672 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,672 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,672 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,674 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,674 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,674 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 01:06:59,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 01:06:59,674 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 01:06:59,688 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,688 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,689 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 01:06:59,689 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,689 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,689 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,691 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,691 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,691 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 01:06:59,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 01:06:59,691 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 01:06:59,705 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,705 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,705 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 01:06:59,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,706 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,707 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,707 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,707 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 01:06:59,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 01:06:59,707 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 01:06:59,722 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,722 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,722 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 01:06:59,722 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,722 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,722 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,724 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,724 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,724 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 01:06:59,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 01:06:59,725 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 01:06:59,739 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,739 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,739 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 01:06:59,739 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,740 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,740 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,741 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,741 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,741 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 01:06:59,741 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 01:06:59,742 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 01:06:59,755 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,756 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,756 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 01:06:59,756 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,756 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,756 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,758 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,758 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,758 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 01:06:59,758 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 01:06:59,758 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 01:06:59,772 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,773 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,773 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 01:06:59,773 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,775 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,775 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,775 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 01:06:59,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 01:06:59,775 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 01:06:59,789 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,790 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,790 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 01:06:59,790 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,790 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,790 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,792 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,792 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,792 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 01:06:59,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 01:06:59,792 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 01:06:59,807 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,807 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,807 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 01:06:59,807 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,807 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,807 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,809 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,809 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,809 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 01:06:59,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 01:06:59,810 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 01:06:59,824 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,824 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,824 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 01:06:59,824 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,824 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,824 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,826 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,826 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,826 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 01:06:59,826 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 01:06:59,826 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 01:06:59,841 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,841 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,841 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 01:06:59,841 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,842 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,842 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,843 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,843 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,844 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 01:06:59,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 01:06:59,844 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 01:06:59,858 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,858 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,859 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 01:06:59,859 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 01:06:59,859 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 01:06:59,859 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:06:59,859 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 01:06:59,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,860 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,860 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,860 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 01:06:59,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 01:06:59,861 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 01:06:59,875 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,876 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,876 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 01:06:59,876 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 01:06:59,876 - INFO - problem_instance short name: p2_0
-2024-12-09 01:06:59,876 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:06:59,876 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 01:06:59,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,877 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,877 - INFO - number of supporting files: 2
-2024-12-09 01:06:59,877 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 01:06:59,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 01:06:59,878 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 01:06:59,893 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,894 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,894 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 01:06:59,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 01:06:59,894 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:06:59,894 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 01:06:59,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,895 - INFO - number of orbitals:  118
-2024-12-09 01:06:59,896 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 01:06:59,896 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:06:59,896 - INFO - moving on ...
-2024-12-09 01:06:59,896 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 01:06:59,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,897 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,897 - INFO - number of supporting files: 2
-2024-12-09 01:06:59,897 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 01:06:59,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 01:06:59,897 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 01:06:59,912 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,912 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,912 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 01:06:59,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 01:06:59,912 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:06:59,912 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 01:06:59,912 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 01:06:59,912 - INFO - problem_instance short name: TiO_0
-2024-12-09 01:06:59,913 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:06:59,913 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 01:06:59,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,914 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,914 - INFO - number of supporting files: 2
-2024-12-09 01:06:59,914 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 01:06:59,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 01:06:59,914 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 01:06:59,929 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,929 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,929 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 01:06:59,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 01:06:59,930 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:06:59,930 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 01:06:59,930 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 01:06:59,930 - INFO - problem_instance short name: Sc_1
-2024-12-09 01:06:59,930 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:06:59,930 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 01:06:59,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,931 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,932 - INFO - number of supporting files: 2
-2024-12-09 01:06:59,932 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 01:06:59,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 01:06:59,932 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 01:06:59,947 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,947 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,947 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 01:06:59,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 01:06:59,947 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:06:59,947 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 01:06:59,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,949 - INFO - number of orbitals:  135
-2024-12-09 01:06:59,949 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 01:06:59,949 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:06:59,949 - INFO - moving on ...
-2024-12-09 01:06:59,949 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 01:06:59,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,950 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,950 - INFO - number of supporting files: 2
-2024-12-09 01:06:59,950 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 01:06:59,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 01:06:59,950 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 01:06:59,965 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,965 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,965 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 01:06:59,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 01:06:59,966 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:06:59,966 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 01:06:59,966 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 01:06:59,966 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 01:06:59,966 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 01:06:59,966 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 01:06:59,966 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,966 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,966 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,968 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,968 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,969 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 01:06:59,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 01:06:59,969 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 01:06:59,985 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:06:59,985 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 01:06:59,985 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 01:06:59,985 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:06:59,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:06:59,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:06:59,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:06:59,987 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:06:59,987 - INFO - number of supporting files: 1
-2024-12-09 01:06:59,987 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 01:06:59,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 01:06:59,987 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 01:07:00,002 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,003 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,003 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 01:07:00,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,003 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,005 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,005 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,005 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 01:07:00,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 01:07:00,005 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 01:07:00,020 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,021 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,021 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 01:07:00,021 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,021 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,021 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,023 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,023 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,023 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 01:07:00,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 01:07:00,023 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 01:07:00,038 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,039 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,039 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 01:07:00,039 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,039 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,039 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,041 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,041 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,041 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 01:07:00,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 01:07:00,041 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 01:07:00,056 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,056 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,056 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 01:07:00,056 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,058 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,059 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,059 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 01:07:00,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 01:07:00,059 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 01:07:00,074 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,074 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,074 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 01:07:00,074 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,074 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,074 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,076 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,076 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,076 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 01:07:00,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 01:07:00,076 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 01:07:00,091 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,092 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,092 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 01:07:00,092 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,092 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,092 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,094 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,094 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,094 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 01:07:00,094 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 01:07:00,094 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 01:07:00,109 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,109 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,109 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 01:07:00,109 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,109 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,109 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,111 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,111 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,111 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 01:07:00,112 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 01:07:00,112 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 01:07:00,126 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,126 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,127 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 01:07:00,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,129 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,129 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 01:07:00,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 01:07:00,129 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 01:07:00,145 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,145 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,145 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 01:07:00,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,147 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,147 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,148 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 01:07:00,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 01:07:00,148 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 01:07:00,164 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,164 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,164 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 01:07:00,164 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,164 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,164 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,166 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,167 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,167 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 01:07:00,167 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 01:07:00,167 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 01:07:00,182 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,182 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,182 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 01:07:00,182 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,182 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,183 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,184 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,185 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,185 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 01:07:00,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 01:07:00,185 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 01:07:00,202 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,202 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,202 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 01:07:00,202 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,204 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,204 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 01:07:00,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 01:07:00,204 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 01:07:00,220 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,221 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,221 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 01:07:00,221 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,221 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,221 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,223 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,223 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 01:07:00,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 01:07:00,223 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 01:07:00,238 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,238 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,238 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 01:07:00,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,239 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,240 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,240 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 01:07:00,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 01:07:00,241 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 01:07:00,255 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,256 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,256 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 01:07:00,256 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 01:07:00,256 - INFO - problem_instance short name: c_s_0
-2024-12-09 01:07:00,256 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,256 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 01:07:00,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,258 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,258 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,258 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 01:07:00,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 01:07:00,258 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 01:07:00,272 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,273 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,273 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 01:07:00,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 01:07:00,273 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,273 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 01:07:00,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,274 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,274 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,274 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 01:07:00,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 01:07:00,275 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 01:07:00,289 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,290 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,290 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 01:07:00,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 01:07:00,290 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,290 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 01:07:00,290 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 01:07:00,290 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 01:07:00,290 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,290 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 01:07:00,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,291 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,292 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,292 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 01:07:00,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 01:07:00,292 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 01:07:00,307 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,307 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,307 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 01:07:00,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 01:07:00,307 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,308 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 01:07:00,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,309 - INFO - number of orbitals:  115
-2024-12-09 01:07:00,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:00,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:00,309 - INFO - moving on ...
-2024-12-09 01:07:00,309 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 01:07:00,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,311 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,311 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 01:07:00,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 01:07:00,311 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 01:07:00,326 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,327 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,327 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 01:07:00,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 01:07:00,327 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,327 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 01:07:00,327 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 01:07:00,327 - INFO - problem_instance short name: f2_0
-2024-12-09 01:07:00,327 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,327 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 01:07:00,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,328 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,328 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,329 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 01:07:00,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 01:07:00,329 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 01:07:00,343 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,343 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,344 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 01:07:00,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 01:07:00,344 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,344 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 01:07:00,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,345 - INFO - number of orbitals:  110
-2024-12-09 01:07:00,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:00,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:00,345 - INFO - moving on ...
-2024-12-09 01:07:00,345 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 01:07:00,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,346 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,346 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,346 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 01:07:00,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 01:07:00,347 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 01:07:00,362 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,362 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,362 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 01:07:00,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 01:07:00,362 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,362 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 01:07:00,362 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 01:07:00,362 - INFO - problem_instance short name: ScO_0
-2024-12-09 01:07:00,362 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,362 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 01:07:00,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,364 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,364 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,364 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 01:07:00,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 01:07:00,364 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 01:07:00,379 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,379 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,379 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 01:07:00,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 01:07:00,380 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,380 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 01:07:00,380 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 01:07:00,380 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 01:07:00,380 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,380 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 01:07:00,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,381 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,381 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,381 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 01:07:00,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 01:07:00,382 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 01:07:00,396 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,397 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,397 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 01:07:00,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 01:07:00,397 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,397 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 01:07:00,397 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 01:07:00,397 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 01:07:00,398 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,398 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 01:07:00,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,399 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,399 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,399 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 01:07:00,399 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 01:07:00,399 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 01:07:00,414 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,415 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,415 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 01:07:00,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 01:07:00,415 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,415 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 01:07:00,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,416 - INFO - number of orbitals:  119
-2024-12-09 01:07:00,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:00,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:00,416 - INFO - moving on ...
-2024-12-09 01:07:00,416 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 01:07:00,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,418 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,418 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,418 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 01:07:00,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 01:07:00,418 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 01:07:00,433 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,433 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,433 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 01:07:00,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 01:07:00,434 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,434 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 01:07:00,434 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 01:07:00,434 - INFO - problem_instance short name: be_0
-2024-12-09 01:07:00,434 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,434 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 01:07:00,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,436 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,436 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,436 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 01:07:00,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 01:07:00,436 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 01:07:00,450 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,451 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,451 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 01:07:00,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 01:07:00,451 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,451 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 01:07:00,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,452 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,452 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,452 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 01:07:00,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 01:07:00,453 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 01:07:00,467 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,468 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,468 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 01:07:00,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 01:07:00,468 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,468 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 01:07:00,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,470 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,470 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 01:07:00,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 01:07:00,470 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 01:07:00,485 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,485 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,485 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 01:07:00,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 01:07:00,485 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,485 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 01:07:00,485 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 01:07:00,485 - INFO - problem_instance short name: ru_mono
-2024-12-09 01:07:00,486 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,486 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 01:07:00,486 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,486 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,486 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,488 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,488 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,488 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 01:07:00,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 01:07:00,488 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 01:07:00,503 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,504 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,504 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 01:07:00,504 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,504 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,504 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,506 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,506 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,506 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 01:07:00,506 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 01:07:00,506 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 01:07:00,522 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,522 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,523 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 01:07:00,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,525 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,525 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,525 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 01:07:00,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 01:07:00,525 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 01:07:00,540 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,541 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,541 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 01:07:00,541 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,543 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,544 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,544 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 01:07:00,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 01:07:00,544 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 01:07:00,559 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,559 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,559 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 01:07:00,559 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,559 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,559 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,561 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,561 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,561 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 01:07:00,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 01:07:00,561 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 01:07:00,576 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,576 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,576 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 01:07:00,576 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,577 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,577 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,579 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,579 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,579 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 01:07:00,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 01:07:00,579 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 01:07:00,594 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,594 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,594 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 01:07:00,595 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 01:07:00,595 - INFO - problem_instance short name: c_o_0
-2024-12-09 01:07:00,595 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,595 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 01:07:00,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,597 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,597 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,597 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 01:07:00,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 01:07:00,597 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 01:07:00,613 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,614 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,614 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 01:07:00,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 01:07:00,614 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,614 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 01:07:00,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,616 - INFO - number of orbitals:  110
-2024-12-09 01:07:00,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:00,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:00,616 - INFO - moving on ...
-2024-12-09 01:07:00,616 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 01:07:00,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,617 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,618 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,618 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 01:07:00,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 01:07:00,618 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 01:07:00,635 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,636 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,636 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 01:07:00,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 01:07:00,636 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,636 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 01:07:00,636 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 01:07:00,636 - INFO - problem_instance short name: h_f_0
-2024-12-09 01:07:00,636 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,636 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 01:07:00,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,638 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,638 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,638 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 01:07:00,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 01:07:00,638 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 01:07:00,652 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,653 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,653 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 01:07:00,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 01:07:00,653 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,653 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 01:07:00,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,654 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,655 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,655 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 01:07:00,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 01:07:00,655 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 01:07:00,670 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,670 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,670 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 01:07:00,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 01:07:00,670 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,671 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 01:07:00,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,672 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,672 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,672 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 01:07:00,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 01:07:00,672 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 01:07:00,688 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,688 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,689 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 01:07:00,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 01:07:00,689 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,689 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 01:07:00,689 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 01:07:00,689 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 01:07:00,689 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,689 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 01:07:00,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,690 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,691 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,691 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 01:07:00,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 01:07:00,691 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 01:07:00,706 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,706 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,706 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 01:07:00,706 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 01:07:00,706 - INFO - problem_instance short name: na_cl_0
-2024-12-09 01:07:00,707 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,707 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 01:07:00,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,708 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,708 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,708 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 01:07:00,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 01:07:00,708 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 01:07:00,723 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,723 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,723 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 01:07:00,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 01:07:00,723 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,723 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 01:07:00,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,725 - INFO - number of orbitals:  118
-2024-12-09 01:07:00,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:00,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:00,725 - INFO - moving on ...
-2024-12-09 01:07:00,725 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 01:07:00,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,726 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,726 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,726 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 01:07:00,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 01:07:00,726 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 01:07:00,741 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,741 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,742 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 01:07:00,742 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 01:07:00,742 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,742 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 01:07:00,742 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 01:07:00,742 - INFO - problem_instance short name: li2_0
-2024-12-09 01:07:00,742 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,742 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 01:07:00,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,743 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,744 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,744 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 01:07:00,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 01:07:00,744 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 01:07:00,758 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,759 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,759 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 01:07:00,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 01:07:00,759 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,759 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 01:07:00,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,760 - INFO - number of orbitals:  110
-2024-12-09 01:07:00,760 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:00,760 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:00,760 - INFO - moving on ...
-2024-12-09 01:07:00,760 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 01:07:00,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,762 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,762 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,762 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 01:07:00,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 01:07:00,762 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 01:07:00,776 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,777 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,777 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 01:07:00,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 01:07:00,777 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,777 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 01:07:00,777 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 01:07:00,777 - INFO - problem_instance short name: mn_mono
-2024-12-09 01:07:00,777 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,777 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 01:07:00,777 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,777 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,777 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,779 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,779 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,779 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 01:07:00,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 01:07:00,779 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 01:07:00,794 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,795 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,795 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 01:07:00,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,797 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,797 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 01:07:00,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 01:07:00,797 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 01:07:00,811 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,812 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,812 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 01:07:00,812 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,812 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,812 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,814 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,814 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,814 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 01:07:00,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 01:07:00,814 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 01:07:00,829 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,829 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,829 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 01:07:00,829 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,829 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,830 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,831 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,831 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,832 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 01:07:00,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 01:07:00,832 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 01:07:00,846 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,847 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,847 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 01:07:00,847 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,847 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,847 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,849 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,849 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,849 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 01:07:00,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 01:07:00,849 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 01:07:00,864 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,864 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,864 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 01:07:00,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,865 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,865 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,867 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,867 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,867 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 01:07:00,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 01:07:00,867 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 01:07:00,883 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,883 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,883 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 01:07:00,883 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,883 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,883 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,885 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,885 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,885 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 01:07:00,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 01:07:00,885 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 01:07:00,900 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,901 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,901 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 01:07:00,901 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:00,901 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:00,901 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:00,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,903 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,903 - INFO - number of supporting files: 1
-2024-12-09 01:07:00,903 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 01:07:00,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 01:07:00,903 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 01:07:00,919 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,919 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,919 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 01:07:00,920 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 01:07:00,920 - INFO - problem_instance short name: p_h3_0
-2024-12-09 01:07:00,920 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,920 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 01:07:00,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,921 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,921 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,921 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 01:07:00,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 01:07:00,922 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 01:07:00,937 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,938 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,938 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 01:07:00,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 01:07:00,938 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,938 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 01:07:00,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,939 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,939 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,939 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 01:07:00,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 01:07:00,940 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 01:07:00,956 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,956 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,956 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 01:07:00,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 01:07:00,956 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,956 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 01:07:00,956 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 01:07:00,956 - INFO - problem_instance short name: n_h3_0
-2024-12-09 01:07:00,957 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,957 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 01:07:00,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,958 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,958 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 01:07:00,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 01:07:00,958 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 01:07:00,973 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,973 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,973 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 01:07:00,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 01:07:00,973 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,973 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 01:07:00,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,975 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,975 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,975 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 01:07:00,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 01:07:00,975 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 01:07:00,990 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:00,990 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 01:07:00,991 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 01:07:00,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 01:07:00,991 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:00,991 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 01:07:00,991 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 01:07:00,991 - INFO - problem_instance short name: TiO_0
-2024-12-09 01:07:00,991 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:00,991 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 01:07:00,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:00,992 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:00,992 - INFO - number of supporting files: 2
-2024-12-09 01:07:00,992 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 01:07:00,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 01:07:00,993 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 01:07:01,007 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,008 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,008 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 01:07:01,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 01:07:01,008 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,008 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 01:07:01,008 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 01:07:01,008 - INFO - problem_instance short name: na2_0
-2024-12-09 01:07:01,008 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,008 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 01:07:01,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,010 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,010 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,010 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 01:07:01,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 01:07:01,010 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 01:07:01,025 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,025 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,025 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 01:07:01,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 01:07:01,025 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,025 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 01:07:01,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,027 - INFO - number of orbitals:  118
-2024-12-09 01:07:01,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:01,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:01,027 - INFO - moving on ...
-2024-12-09 01:07:01,027 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 01:07:01,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,029 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,029 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,029 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 01:07:01,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 01:07:01,029 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 01:07:01,046 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,046 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,046 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 01:07:01,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 01:07:01,047 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,047 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 01:07:01,047 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 01:07:01,047 - INFO - problem_instance short name: Cu_1
-2024-12-09 01:07:01,047 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,047 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 01:07:01,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,048 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,048 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,048 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 01:07:01,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 01:07:01,048 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 01:07:01,063 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,064 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,064 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 01:07:01,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 01:07:01,064 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,064 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 01:07:01,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,065 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,066 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,066 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 01:07:01,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 01:07:01,066 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 01:07:01,081 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,081 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,081 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 01:07:01,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 01:07:01,082 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,082 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 01:07:01,082 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 01:07:01,082 - INFO - problem_instance short name: CrO_0
-2024-12-09 01:07:01,082 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,082 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 01:07:01,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,084 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,084 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,084 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 01:07:01,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 01:07:01,084 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 01:07:01,099 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,100 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,100 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 01:07:01,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 01:07:01,100 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,100 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 01:07:01,100 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 01:07:01,100 - INFO - problem_instance short name: cl2_0
-2024-12-09 01:07:01,100 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,100 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 01:07:01,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,102 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,102 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,102 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 01:07:01,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 01:07:01,102 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 01:07:01,116 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,116 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,116 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 01:07:01,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 01:07:01,117 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,117 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 01:07:01,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,118 - INFO - number of orbitals:  118
-2024-12-09 01:07:01,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:01,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:01,118 - INFO - moving on ...
-2024-12-09 01:07:01,118 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 01:07:01,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,119 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,119 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,119 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 01:07:01,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 01:07:01,119 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 01:07:01,135 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,135 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,135 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 01:07:01,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 01:07:01,135 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,135 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 01:07:01,136 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 01:07:01,136 - INFO - problem_instance short name: si_h4_0
-2024-12-09 01:07:01,136 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,136 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 01:07:01,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,137 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,137 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,137 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 01:07:01,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 01:07:01,137 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 01:07:01,152 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,152 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,152 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 01:07:01,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 01:07:01,152 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,152 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 01:07:01,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,154 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,154 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,154 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 01:07:01,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 01:07:01,154 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 01:07:01,169 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,169 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,169 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 01:07:01,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 01:07:01,169 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,169 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 01:07:01,170 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 01:07:01,170 - INFO - problem_instance short name: h_cl_0
-2024-12-09 01:07:01,170 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,170 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 01:07:01,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,171 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,171 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,171 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 01:07:01,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 01:07:01,171 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 01:07:01,186 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,186 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,186 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 01:07:01,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 01:07:01,186 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,186 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 01:07:01,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,188 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,188 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,188 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 01:07:01,188 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 01:07:01,188 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 01:07:01,204 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,205 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,205 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 01:07:01,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 01:07:01,205 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,205 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 01:07:01,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,207 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,207 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 01:07:01,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 01:07:01,207 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 01:07:01,223 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,224 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,224 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 01:07:01,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 01:07:01,224 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,224 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 01:07:01,224 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 01:07:01,224 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 01:07:01,224 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,224 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 01:07:01,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,226 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,226 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,226 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 01:07:01,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 01:07:01,226 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 01:07:01,241 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,241 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,241 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 01:07:01,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 01:07:01,241 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,241 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 01:07:01,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,243 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,243 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,243 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 01:07:01,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 01:07:01,243 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 01:07:01,258 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,258 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,258 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 01:07:01,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 01:07:01,258 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,258 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 01:07:01,258 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 01:07:01,259 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 01:07:01,259 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,259 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 01:07:01,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,260 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,260 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,260 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 01:07:01,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 01:07:01,260 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 01:07:01,275 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,276 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,276 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 01:07:01,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 01:07:01,276 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,276 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 01:07:01,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,277 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,277 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,278 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 01:07:01,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 01:07:01,278 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 01:07:01,292 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,293 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,293 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 01:07:01,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 01:07:01,293 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,293 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 01:07:01,293 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 01:07:01,293 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 01:07:01,293 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,293 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 01:07:01,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,295 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,295 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,295 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 01:07:01,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 01:07:01,295 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 01:07:01,310 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,310 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,310 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 01:07:01,310 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 01:07:01,310 - INFO - problem_instance short name: O_1
-2024-12-09 01:07:01,310 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,310 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 01:07:01,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,312 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,312 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,312 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 01:07:01,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 01:07:01,312 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 01:07:01,328 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,328 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,328 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 01:07:01,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 01:07:01,328 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,328 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 01:07:01,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,330 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,330 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,330 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 01:07:01,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 01:07:01,330 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 01:07:01,345 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,345 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,345 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 01:07:01,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 01:07:01,346 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,346 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 01:07:01,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,347 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,347 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,347 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 01:07:01,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 01:07:01,347 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 01:07:01,362 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,363 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,363 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 01:07:01,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 01:07:01,363 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,363 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 01:07:01,363 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 01:07:01,363 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 01:07:01,363 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,363 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 01:07:01,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,365 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,365 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,365 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 01:07:01,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 01:07:01,365 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 01:07:01,380 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,380 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,380 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 01:07:01,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 01:07:01,380 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,380 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 01:07:01,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,382 - INFO - number of orbitals:  116
-2024-12-09 01:07:01,382 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:01,382 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:01,382 - INFO - moving on ...
-2024-12-09 01:07:01,382 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 01:07:01,382 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 01:07:01,382 - INFO - problem_instance short name: CuO_0
-2024-12-09 01:07:01,382 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,382 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 01:07:01,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,384 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,384 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,384 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 01:07:01,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 01:07:01,384 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 01:07:01,398 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,398 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,399 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 01:07:01,399 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 01:07:01,399 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,399 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 01:07:01,399 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 01:07:01,399 - INFO - problem_instance short name: benzene
-2024-12-09 01:07:01,399 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,399 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 01:07:01,399 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,399 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,399 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,401 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,401 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,401 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 01:07:01,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 01:07:01,401 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 01:07:01,416 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,416 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,416 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 01:07:01,416 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,416 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,416 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,418 - INFO - number of orbitals:  108
-2024-12-09 01:07:01,418 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:01,418 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:01,418 - INFO - moving on ...
-2024-12-09 01:07:01,418 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 01:07:01,419 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 01:07:01,419 - INFO - problem_instance short name: Fe_1
-2024-12-09 01:07:01,419 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,419 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 01:07:01,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,420 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,420 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,420 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 01:07:01,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 01:07:01,420 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 01:07:01,435 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,435 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,435 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 01:07:01,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 01:07:01,435 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,435 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 01:07:01,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,437 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,437 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,437 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 01:07:01,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 01:07:01,437 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 01:07:01,452 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,452 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,452 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 01:07:01,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 01:07:01,452 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,452 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 01:07:01,453 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 01:07:01,453 - INFO - problem_instance short name: blue_dimer
-2024-12-09 01:07:01,453 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,453 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 01:07:01,453 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,453 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,453 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,455 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,455 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,455 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 01:07:01,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 01:07:01,455 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 01:07:01,469 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,470 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,470 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 01:07:01,470 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,472 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,472 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,472 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 01:07:01,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 01:07:01,472 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 01:07:01,487 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,487 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,487 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 01:07:01,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,489 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,489 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,489 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 01:07:01,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 01:07:01,489 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 01:07:01,504 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,504 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,504 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 01:07:01,504 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,504 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,504 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,506 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,506 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,506 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 01:07:01,506 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 01:07:01,507 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 01:07:01,521 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,521 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,521 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 01:07:01,521 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,524 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,524 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,524 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 01:07:01,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 01:07:01,524 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 01:07:01,538 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,539 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,539 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 01:07:01,539 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,539 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,539 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,541 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,541 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,541 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 01:07:01,541 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 01:07:01,541 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 01:07:01,555 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,556 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,556 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 01:07:01,556 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,556 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,556 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,558 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,558 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,558 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 01:07:01,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 01:07:01,558 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 01:07:01,572 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,573 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,573 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 01:07:01,573 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,573 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,573 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,575 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,575 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,575 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 01:07:01,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 01:07:01,575 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 01:07:01,590 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,590 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,590 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 01:07:01,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,591 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,592 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,593 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 01:07:01,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 01:07:01,593 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 01:07:01,607 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,608 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,608 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 01:07:01,608 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,608 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,608 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,611 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,611 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,611 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 01:07:01,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 01:07:01,611 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 01:07:01,626 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,627 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,627 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 01:07:01,627 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,627 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,627 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,629 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,629 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,629 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 01:07:01,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 01:07:01,629 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 01:07:01,644 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,644 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,644 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 01:07:01,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,644 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,646 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,646 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,646 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 01:07:01,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 01:07:01,646 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 01:07:01,660 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,661 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,661 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 01:07:01,661 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 01:07:01,661 - INFO - problem_instance short name: ozone
-2024-12-09 01:07:01,661 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,661 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 01:07:01,661 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,663 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,663 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,663 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 01:07:01,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 01:07:01,664 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 01:07:01,679 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,679 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,679 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 01:07:01,679 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,681 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,681 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,681 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 01:07:01,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 01:07:01,681 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 01:07:01,697 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,697 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,697 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 01:07:01,697 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,697 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,697 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,699 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,699 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,699 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 01:07:01,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 01:07:01,699 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 01:07:01,714 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,714 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,714 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 01:07:01,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,717 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,717 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,717 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 01:07:01,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 01:07:01,717 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 01:07:01,732 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,733 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,733 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 01:07:01,733 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,735 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,735 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 01:07:01,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 01:07:01,735 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 01:07:01,751 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,751 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,751 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 01:07:01,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,753 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,754 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 01:07:01,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 01:07:01,754 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 01:07:01,768 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,769 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,769 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 01:07:01,769 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 01:07:01,769 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 01:07:01,769 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,769 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 01:07:01,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,771 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,771 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,771 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 01:07:01,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 01:07:01,771 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 01:07:01,786 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,786 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,786 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 01:07:01,786 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 01:07:01,786 - INFO - problem_instance short name: Sc_1
-2024-12-09 01:07:01,786 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,786 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 01:07:01,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,788 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,788 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,788 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 01:07:01,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 01:07:01,788 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 01:07:01,804 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,805 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,805 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 01:07:01,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 01:07:01,805 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,805 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 01:07:01,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,807 - INFO - number of orbitals:  135
-2024-12-09 01:07:01,807 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:01,807 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:01,807 - INFO - moving on ...
-2024-12-09 01:07:01,807 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 01:07:01,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,809 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,809 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,809 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 01:07:01,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 01:07:01,810 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 01:07:01,830 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,830 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,830 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 01:07:01,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 01:07:01,831 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,831 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 01:07:01,831 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 01:07:01,831 - INFO - problem_instance short name: mo_n2
-2024-12-09 01:07:01,831 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,831 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 01:07:01,831 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,832 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,832 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,834 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,834 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,835 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 01:07:01,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 01:07:01,835 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 01:07:01,853 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,853 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,853 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 01:07:01,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,854 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,856 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,856 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,856 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 01:07:01,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 01:07:01,856 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 01:07:01,871 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,871 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,871 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 01:07:01,871 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,873 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,874 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,874 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 01:07:01,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 01:07:01,874 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 01:07:01,890 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,891 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,891 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 01:07:01,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:01,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:01,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:01,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,893 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,894 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 01:07:01,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 01:07:01,894 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 01:07:01,913 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,913 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,913 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 01:07:01,914 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 01:07:01,914 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 01:07:01,914 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,914 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 01:07:01,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,916 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,916 - INFO - number of supporting files: 1
-2024-12-09 01:07:01,916 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 01:07:01,916 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 01:07:01,916 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 01:07:01,937 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,938 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,938 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 01:07:01,938 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 01:07:01,938 - INFO - problem_instance short name: s_o2_0
-2024-12-09 01:07:01,938 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,938 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 01:07:01,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,940 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,940 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,940 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 01:07:01,940 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 01:07:01,941 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 01:07:01,963 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,963 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,963 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 01:07:01,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 01:07:01,963 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,963 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 01:07:01,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,966 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,966 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-09 01:07:01,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
-2024-12-09 01:07:01,966 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
-2024-12-09 01:07:01,986 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:01,987 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:01,987 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
-2024-12-09 01:07:01,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
-2024-12-09 01:07:01,987 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:01,987 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 01:07:01,988 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 01:07:01,988 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 01:07:01,988 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:01,988 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 01:07:01,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:01,990 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:01,990 - INFO - number of supporting files: 2
-2024-12-09 01:07:01,990 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 01:07:01,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 01:07:01,990 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 01:07:02,012 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,013 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,013 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 01:07:02,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 01:07:02,013 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,013 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 01:07:02,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,015 - INFO - number of orbitals:  116
-2024-12-09 01:07:02,015 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:02,015 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:02,015 - INFO - moving on ...
-2024-12-09 01:07:02,015 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 01:07:02,015 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 01:07:02,015 - INFO - problem_instance short name: Mn_1
-2024-12-09 01:07:02,016 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,016 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 01:07:02,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,017 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,017 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,018 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 01:07:02,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 01:07:02,018 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 01:07:02,039 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,040 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,040 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 01:07:02,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 01:07:02,040 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,040 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 01:07:02,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,042 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,042 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,042 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 01:07:02,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 01:07:02,042 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 01:07:02,064 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,065 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,065 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 01:07:02,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 01:07:02,065 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,065 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 01:07:02,066 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 01:07:02,066 - INFO - problem_instance short name: Cu_0
-2024-12-09 01:07:02,066 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,066 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 01:07:02,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,068 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,068 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 01:07:02,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 01:07:02,068 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 01:07:02,090 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,090 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,090 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 01:07:02,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 01:07:02,091 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,091 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 01:07:02,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,093 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,093 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,093 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 01:07:02,093 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 01:07:02,093 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 01:07:02,112 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,113 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,113 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 01:07:02,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 01:07:02,113 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,113 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 01:07:02,113 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 01:07:02,113 - INFO - problem_instance short name: Mn_0
-2024-12-09 01:07:02,113 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,113 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 01:07:02,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,115 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,115 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,115 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 01:07:02,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 01:07:02,115 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 01:07:02,137 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,138 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,138 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 01:07:02,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 01:07:02,138 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,138 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 01:07:02,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,140 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,140 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,140 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 01:07:02,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 01:07:02,140 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 01:07:02,159 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,160 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,160 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 01:07:02,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 01:07:02,160 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,160 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 01:07:02,160 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 01:07:02,160 - INFO - problem_instance short name: cr_dimer
-2024-12-09 01:07:02,160 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,160 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 01:07:02,161 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,161 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,161 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,162 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,163 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,163 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,163 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 01:07:02,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 01:07:02,164 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 01:07:02,185 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,185 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,185 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 01:07:02,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,186 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,186 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,188 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,188 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,189 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 01:07:02,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 01:07:02,189 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 01:07:02,211 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,211 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,211 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 01:07:02,211 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,212 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,212 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,214 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,214 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,215 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 01:07:02,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 01:07:02,215 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 01:07:02,237 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,238 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,238 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 01:07:02,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,241 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,241 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,241 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 01:07:02,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 01:07:02,241 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 01:07:02,262 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,262 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,262 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 01:07:02,263 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,263 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,263 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,265 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,265 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,266 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 01:07:02,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 01:07:02,266 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 01:07:02,287 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,287 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,288 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 01:07:02,288 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,288 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,288 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,291 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,291 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,291 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 01:07:02,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 01:07:02,291 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 01:07:02,313 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,313 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,313 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 01:07:02,313 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,314 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,314 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,316 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,317 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 01:07:02,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 01:07:02,317 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 01:07:02,335 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,335 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,335 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 01:07:02,335 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,336 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,336 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,338 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,338 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,338 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 01:07:02,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 01:07:02,338 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 01:07:02,352 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,353 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,353 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 01:07:02,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,355 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,355 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,355 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 01:07:02,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 01:07:02,355 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 01:07:02,369 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,370 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,370 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 01:07:02,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,372 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,372 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,372 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 01:07:02,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 01:07:02,372 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 01:07:02,386 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,387 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,387 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 01:07:02,387 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,387 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,387 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,389 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,389 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,389 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 01:07:02,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 01:07:02,389 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 01:07:02,403 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,404 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,404 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 01:07:02,404 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,404 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,404 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,406 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,406 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,406 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 01:07:02,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 01:07:02,406 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 01:07:02,420 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,420 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,421 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 01:07:02,421 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 01:07:02,421 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 01:07:02,421 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,421 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 01:07:02,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,422 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,422 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,422 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 01:07:02,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 01:07:02,422 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 01:07:02,437 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,437 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,437 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 01:07:02,438 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 01:07:02,438 - INFO - problem_instance short name: VO_0
-2024-12-09 01:07:02,438 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,438 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 01:07:02,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,439 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,439 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,439 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 01:07:02,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 01:07:02,439 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 01:07:02,454 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,454 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,454 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 01:07:02,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 01:07:02,454 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,454 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 01:07:02,455 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 01:07:02,455 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 01:07:02,455 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,455 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 01:07:02,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,456 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,456 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,456 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 01:07:02,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 01:07:02,456 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 01:07:02,471 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,471 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,471 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 01:07:02,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 01:07:02,471 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,471 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 01:07:02,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,473 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,473 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,473 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 01:07:02,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 01:07:02,474 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 01:07:02,488 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,489 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,489 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 01:07:02,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 01:07:02,489 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,489 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 01:07:02,489 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 01:07:02,489 - INFO - problem_instance short name: Ti_0
-2024-12-09 01:07:02,489 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,489 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 01:07:02,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,490 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,491 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,491 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 01:07:02,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 01:07:02,491 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 01:07:02,505 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,506 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,506 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 01:07:02,506 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 01:07:02,506 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,506 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 01:07:02,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,507 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,507 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 01:07:02,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 01:07:02,507 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 01:07:02,522 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,522 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,523 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 01:07:02,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 01:07:02,523 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,523 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 01:07:02,523 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 01:07:02,523 - INFO - problem_instance short name: si_o_0
-2024-12-09 01:07:02,523 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,523 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 01:07:02,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,524 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,524 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,524 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 01:07:02,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 01:07:02,525 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 01:07:02,539 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,539 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,539 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 01:07:02,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 01:07:02,539 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,540 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 01:07:02,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,541 - INFO - number of orbitals:  114
-2024-12-09 01:07:02,541 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:02,541 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:02,541 - INFO - moving on ...
-2024-12-09 01:07:02,541 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 01:07:02,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,542 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,542 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,542 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 01:07:02,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 01:07:02,542 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 01:07:02,557 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,557 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,557 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 01:07:02,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 01:07:02,557 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,557 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 01:07:02,558 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 01:07:02,558 - INFO - problem_instance short name: n2_0
-2024-12-09 01:07:02,558 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,558 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 01:07:02,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,559 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,559 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,559 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 01:07:02,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 01:07:02,559 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 01:07:02,574 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,574 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,574 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 01:07:02,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 01:07:02,574 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,574 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 01:07:02,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,575 - INFO - number of orbitals:  110
-2024-12-09 01:07:02,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:02,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:02,576 - INFO - moving on ...
-2024-12-09 01:07:02,576 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 01:07:02,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,577 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,577 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,577 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 01:07:02,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 01:07:02,577 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 01:07:02,592 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,592 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,592 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 01:07:02,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 01:07:02,592 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,592 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 01:07:02,592 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 01:07:02,592 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 01:07:02,592 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,592 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 01:07:02,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,594 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,594 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,594 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 01:07:02,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 01:07:02,594 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 01:07:02,609 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,609 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,609 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 01:07:02,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 01:07:02,609 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,609 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 01:07:02,610 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 01:07:02,610 - INFO - problem_instance short name: O_0
-2024-12-09 01:07:02,610 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,610 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 01:07:02,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,612 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,612 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 01:07:02,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 01:07:02,612 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 01:07:02,627 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,627 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,627 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 01:07:02,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 01:07:02,627 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,627 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 01:07:02,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,628 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,628 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 01:07:02,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 01:07:02,629 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 01:07:02,643 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,643 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,643 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 01:07:02,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 01:07:02,644 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,644 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 01:07:02,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,645 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,645 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,645 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 01:07:02,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 01:07:02,645 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 01:07:02,660 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,660 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,660 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 01:07:02,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 01:07:02,660 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,660 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 01:07:02,661 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 01:07:02,661 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 01:07:02,661 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,661 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 01:07:02,661 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,663 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,663 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,663 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 01:07:02,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 01:07:02,663 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 01:07:02,677 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,678 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,678 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 01:07:02,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,678 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,680 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,680 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,680 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 01:07:02,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 01:07:02,680 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 01:07:02,695 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,695 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,695 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 01:07:02,695 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,695 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,695 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,697 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,697 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,697 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 01:07:02,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 01:07:02,697 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 01:07:02,712 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,712 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,712 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 01:07:02,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,714 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,714 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,714 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 01:07:02,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 01:07:02,714 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 01:07:02,729 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,730 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,730 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 01:07:02,730 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,730 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,730 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,732 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,732 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,732 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 01:07:02,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 01:07:02,732 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 01:07:02,747 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,747 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,747 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 01:07:02,747 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,747 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,747 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,749 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,749 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,749 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 01:07:02,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 01:07:02,749 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 01:07:02,764 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,764 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,764 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 01:07:02,764 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,764 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,764 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,766 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,766 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,766 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 01:07:02,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 01:07:02,766 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 01:07:02,781 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,781 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,781 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 01:07:02,781 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,781 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,781 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,783 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,783 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,783 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 01:07:02,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 01:07:02,783 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 01:07:02,798 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,798 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,798 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 01:07:02,798 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,798 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,798 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,800 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,800 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,800 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 01:07:02,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 01:07:02,800 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 01:07:02,815 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,816 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,816 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 01:07:02,816 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,816 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,816 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,818 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,818 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,818 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 01:07:02,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 01:07:02,818 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 01:07:02,833 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,833 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,833 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 01:07:02,833 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,833 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,833 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,835 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,835 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 01:07:02,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 01:07:02,835 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 01:07:02,852 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,853 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,853 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 01:07:02,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,855 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,855 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 01:07:02,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 01:07:02,855 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 01:07:02,869 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,870 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,870 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 01:07:02,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,872 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,872 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 01:07:02,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 01:07:02,872 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 01:07:02,887 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,887 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,887 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 01:07:02,887 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,887 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,888 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,889 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,889 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,889 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 01:07:02,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 01:07:02,890 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 01:07:02,905 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,905 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,905 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 01:07:02,905 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,906 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,906 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,908 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,908 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,908 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 01:07:02,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 01:07:02,908 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 01:07:02,923 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,924 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,924 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 01:07:02,924 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:02,924 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:02,924 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:02,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,926 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,926 - INFO - number of supporting files: 1
-2024-12-09 01:07:02,926 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 01:07:02,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 01:07:02,926 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 01:07:02,941 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,941 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,941 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 01:07:02,942 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 01:07:02,942 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 01:07:02,942 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,942 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 01:07:02,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,943 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,943 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,943 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 01:07:02,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 01:07:02,943 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 01:07:02,958 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,959 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,959 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 01:07:02,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 01:07:02,959 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,959 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 01:07:02,959 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 01:07:02,959 - INFO - problem_instance short name: c_h4_0
-2024-12-09 01:07:02,959 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,959 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 01:07:02,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,961 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,961 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,961 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 01:07:02,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 01:07:02,961 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 01:07:02,975 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,976 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,976 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 01:07:02,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 01:07:02,976 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,976 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 01:07:02,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,978 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,978 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,978 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 01:07:02,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 01:07:02,978 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 01:07:02,994 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:02,995 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 01:07:02,995 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 01:07:02,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 01:07:02,995 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:02,995 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 01:07:02,995 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 01:07:02,995 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 01:07:02,995 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:02,995 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 01:07:02,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:02,997 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:02,997 - INFO - number of supporting files: 2
-2024-12-09 01:07:02,997 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 01:07:02,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 01:07:02,997 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 01:07:03,012 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,012 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,012 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 01:07:03,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 01:07:03,012 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,012 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 01:07:03,012 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 01:07:03,012 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 01:07:03,012 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,013 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 01:07:03,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,014 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,014 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,014 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 01:07:03,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 01:07:03,014 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 01:07:03,030 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,030 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,030 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 01:07:03,030 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 01:07:03,030 - INFO - problem_instance short name: li_f_0
-2024-12-09 01:07:03,030 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,030 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 01:07:03,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,032 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,032 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,032 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 01:07:03,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 01:07:03,032 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 01:07:03,047 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,047 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,047 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 01:07:03,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 01:07:03,047 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,047 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 01:07:03,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,049 - INFO - number of orbitals:  110
-2024-12-09 01:07:03,049 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:03,049 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:03,049 - INFO - moving on ...
-2024-12-09 01:07:03,049 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 01:07:03,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,051 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,051 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,051 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 01:07:03,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 01:07:03,051 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 01:07:03,066 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,066 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,066 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 01:07:03,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 01:07:03,066 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,066 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 01:07:03,066 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 01:07:03,066 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 01:07:03,066 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,066 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 01:07:03,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,068 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,068 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 01:07:03,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 01:07:03,068 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 01:07:03,083 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,083 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,083 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 01:07:03,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 01:07:03,083 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,083 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 01:07:03,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,084 - INFO - number of orbitals:  106
-2024-12-09 01:07:03,085 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:03,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:03,085 - INFO - moving on ...
-2024-12-09 01:07:03,085 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 01:07:03,085 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 01:07:03,085 - INFO - problem_instance short name: Fe_0
-2024-12-09 01:07:03,085 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,085 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 01:07:03,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,086 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,086 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 01:07:03,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 01:07:03,086 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 01:07:03,101 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,101 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,101 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 01:07:03,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 01:07:03,101 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,101 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 01:07:03,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,103 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,103 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 01:07:03,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 01:07:03,103 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 01:07:03,118 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,118 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,118 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 01:07:03,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 01:07:03,118 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,118 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 01:07:03,119 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 01:07:03,119 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 01:07:03,119 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,119 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 01:07:03,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,120 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,120 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,120 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 01:07:03,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 01:07:03,121 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 01:07:03,135 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,136 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,136 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 01:07:03,136 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 01:07:03,136 - INFO - problem_instance short name: p2_0
-2024-12-09 01:07:03,136 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,136 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 01:07:03,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,137 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,137 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,138 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 01:07:03,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 01:07:03,138 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 01:07:03,152 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,152 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,152 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 01:07:03,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 01:07:03,153 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,153 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 01:07:03,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,154 - INFO - number of orbitals:  118
-2024-12-09 01:07:03,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:03,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:03,154 - INFO - moving on ...
-2024-12-09 01:07:03,154 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 01:07:03,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,155 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,155 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,155 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 01:07:03,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 01:07:03,156 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 01:07:03,170 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,171 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,171 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 01:07:03,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 01:07:03,171 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,171 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 01:07:03,171 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 01:07:03,171 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 01:07:03,171 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,171 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 01:07:03,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,172 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,172 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,172 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 01:07:03,173 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 01:07:03,173 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 01:07:03,189 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,190 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,190 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 01:07:03,190 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 01:07:03,190 - INFO - problem_instance short name: c_o2_0
-2024-12-09 01:07:03,190 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,190 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 01:07:03,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,192 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,192 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,192 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 01:07:03,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 01:07:03,192 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 01:07:03,207 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,207 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,207 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 01:07:03,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 01:07:03,207 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,207 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 01:07:03,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,209 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,209 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,209 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 01:07:03,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 01:07:03,209 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 01:07:03,224 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,224 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,224 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 01:07:03,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 01:07:03,224 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,224 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 01:07:03,225 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 01:07:03,225 - INFO - problem_instance short name: h2_s_0
-2024-12-09 01:07:03,225 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,225 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 01:07:03,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,226 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,226 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,226 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 01:07:03,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 01:07:03,227 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 01:07:03,241 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,241 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,241 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 01:07:03,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 01:07:03,242 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,242 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 01:07:03,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,243 - INFO - number of orbitals:  119
-2024-12-09 01:07:03,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:03,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:03,243 - INFO - moving on ...
-2024-12-09 01:07:03,243 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 01:07:03,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,245 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,245 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,245 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 01:07:03,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 01:07:03,245 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 01:07:03,260 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,260 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,260 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 01:07:03,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 01:07:03,260 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,261 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 01:07:03,261 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 01:07:03,261 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 01:07:03,261 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,261 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 01:07:03,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,262 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,262 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,262 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 01:07:03,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 01:07:03,263 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 01:07:03,278 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,278 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,278 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 01:07:03,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 01:07:03,278 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,278 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 01:07:03,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,280 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,280 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,280 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 01:07:03,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 01:07:03,280 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 01:07:03,294 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,295 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,295 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 01:07:03,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 01:07:03,295 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,295 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 01:07:03,295 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 01:07:03,295 - INFO - problem_instance short name: Sc_0
-2024-12-09 01:07:03,295 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,295 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 01:07:03,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,297 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,297 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,297 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 01:07:03,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 01:07:03,297 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 01:07:03,312 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,312 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,312 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 01:07:03,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 01:07:03,312 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,312 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 01:07:03,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,313 - INFO - number of orbitals:  135
-2024-12-09 01:07:03,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:03,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:03,314 - INFO - moving on ...
-2024-12-09 01:07:03,314 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 01:07:03,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,315 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,315 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,315 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 01:07:03,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 01:07:03,315 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 01:07:03,330 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,330 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,330 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 01:07:03,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 01:07:03,330 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,330 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 01:07:03,330 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 01:07:03,330 - INFO - problem_instance short name: h2_o_0
-2024-12-09 01:07:03,331 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,331 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 01:07:03,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,332 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,332 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,332 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 01:07:03,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 01:07:03,332 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 01:07:03,347 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,347 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,347 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 01:07:03,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 01:07:03,347 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,347 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 01:07:03,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,349 - INFO - number of orbitals:  115
-2024-12-09 01:07:03,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:03,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:03,349 - INFO - moving on ...
-2024-12-09 01:07:03,349 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 01:07:03,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,350 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,350 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,350 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 01:07:03,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 01:07:03,350 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 01:07:03,366 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,366 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,366 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 01:07:03,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 01:07:03,366 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,366 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 01:07:03,366 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 01:07:03,366 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 01:07:03,366 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,366 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 01:07:03,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,368 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,368 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,368 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 01:07:03,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 01:07:03,368 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 01:07:03,384 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,384 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,384 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 01:07:03,384 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 01:07:03,384 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 01:07:03,384 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,384 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 01:07:03,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,386 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,386 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,386 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 01:07:03,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 01:07:03,386 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 01:07:03,401 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,401 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,401 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 01:07:03,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 01:07:03,401 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,401 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 01:07:03,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,403 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,403 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,403 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 01:07:03,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 01:07:03,403 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 01:07:03,417 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,418 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,418 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 01:07:03,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 01:07:03,418 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,418 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 01:07:03,418 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 01:07:03,418 - INFO - problem_instance short name: Cr_1
-2024-12-09 01:07:03,418 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,418 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 01:07:03,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,419 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,419 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,420 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 01:07:03,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 01:07:03,420 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 01:07:03,434 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,435 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,435 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 01:07:03,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 01:07:03,435 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,435 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 01:07:03,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,436 - INFO - number of orbitals:  135
-2024-12-09 01:07:03,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 01:07:03,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:03,436 - INFO - moving on ...
-2024-12-09 01:07:03,436 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 01:07:03,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,438 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,438 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,438 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 01:07:03,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 01:07:03,438 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 01:07:03,452 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,453 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,453 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 01:07:03,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 01:07:03,453 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,453 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 01:07:03,453 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 01:07:03,454 - INFO - problem_instance short name: fe_red
-2024-12-09 01:07:03,454 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,454 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 01:07:03,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,454 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,456 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,456 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,456 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 01:07:03,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 01:07:03,456 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 01:07:03,471 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,471 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,471 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 01:07:03,471 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,474 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,474 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,474 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 01:07:03,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 01:07:03,474 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 01:07:03,490 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,491 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,491 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 01:07:03,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,493 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,493 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,493 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 01:07:03,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 01:07:03,493 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 01:07:03,509 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,510 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,510 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 01:07:03,510 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,510 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,510 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,512 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,512 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,512 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 01:07:03,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 01:07:03,512 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 01:07:03,527 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,528 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,528 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 01:07:03,528 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,528 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,528 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,530 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,530 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,530 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 01:07:03,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 01:07:03,530 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 01:07:03,545 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,545 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,545 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 01:07:03,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,547 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,547 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,547 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 01:07:03,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 01:07:03,547 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 01:07:03,562 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,562 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,562 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 01:07:03,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,563 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,563 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,565 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,565 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 01:07:03,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 01:07:03,565 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 01:07:03,579 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,580 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,580 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 01:07:03,580 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,580 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,580 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,582 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,582 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 01:07:03,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 01:07:03,582 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 01:07:03,597 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,597 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,597 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 01:07:03,597 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,597 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,597 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,599 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,599 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,599 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 01:07:03,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 01:07:03,599 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 01:07:03,614 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,614 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,614 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 01:07:03,615 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 01:07:03,615 - INFO - problem_instance short name: V_0
-2024-12-09 01:07:03,615 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,615 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 01:07:03,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,616 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,616 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,616 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 01:07:03,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 01:07:03,616 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 01:07:03,631 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,631 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,631 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 01:07:03,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 01:07:03,631 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,631 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 01:07:03,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,633 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,633 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,633 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 01:07:03,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 01:07:03,633 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 01:07:03,647 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,648 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,648 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 01:07:03,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 01:07:03,648 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,648 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 01:07:03,648 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 01:07:03,648 - INFO - problem_instance short name: ru_macho
-2024-12-09 01:07:03,648 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,648 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 01:07:03,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,649 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,649 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,651 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,651 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 01:07:03,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 01:07:03,651 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 01:07:03,666 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,666 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,666 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 01:07:03,666 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,666 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,666 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,668 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,668 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,669 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 01:07:03,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 01:07:03,669 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 01:07:03,684 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,684 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,684 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 01:07:03,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,685 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,686 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,686 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,687 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 01:07:03,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 01:07:03,687 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 01:07:03,701 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,702 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,702 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 01:07:03,702 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,704 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,704 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,704 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 01:07:03,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 01:07:03,704 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 01:07:03,719 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,719 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,719 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 01:07:03,719 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,719 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,720 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,721 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,721 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,722 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 01:07:03,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 01:07:03,722 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 01:07:03,736 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,737 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,737 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 01:07:03,737 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,737 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,737 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,739 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,739 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,739 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 01:07:03,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 01:07:03,739 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 01:07:03,754 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,755 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,755 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 01:07:03,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,757 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,757 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,757 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 01:07:03,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 01:07:03,757 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 01:07:03,772 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,772 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,772 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 01:07:03,772 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,774 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,775 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,775 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 01:07:03,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 01:07:03,775 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 01:07:03,790 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,790 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,790 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 01:07:03,790 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:03,790 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:03,790 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:03,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,792 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,792 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,792 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 01:07:03,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 01:07:03,792 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 01:07:03,808 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,808 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,809 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 01:07:03,809 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 01:07:03,809 - INFO - problem_instance short name: li_h_0
-2024-12-09 01:07:03,809 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,809 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 01:07:03,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,810 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,811 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,811 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 01:07:03,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 01:07:03,811 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 01:07:03,826 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,826 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,827 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 01:07:03,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 01:07:03,827 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,827 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 01:07:03,828 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,828 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,829 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,829 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 01:07:03,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 01:07:03,829 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 01:07:03,844 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,844 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,844 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 01:07:03,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 01:07:03,844 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,844 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 01:07:03,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,846 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,846 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,846 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 01:07:03,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 01:07:03,846 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 01:07:03,860 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,861 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,861 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 01:07:03,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 01:07:03,861 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,861 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 01:07:03,861 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 01:07:03,861 - INFO - problem_instance short name: MnO_0
-2024-12-09 01:07:03,861 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,862 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 01:07:03,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,863 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,863 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,863 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 01:07:03,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 01:07:03,863 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 01:07:03,878 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,878 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,878 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 01:07:03,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 01:07:03,878 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,878 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 01:07:03,879 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 01:07:03,879 - INFO - problem_instance short name: Cr_0
-2024-12-09 01:07:03,879 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,879 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 01:07:03,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,880 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,880 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,880 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 01:07:03,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 01:07:03,880 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 01:07:03,895 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,895 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,895 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 01:07:03,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 01:07:03,896 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,896 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 01:07:03,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,897 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,897 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,897 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 01:07:03,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 01:07:03,897 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 01:07:03,912 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,913 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,913 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 01:07:03,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 01:07:03,913 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,913 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 01:07:03,913 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 01:07:03,913 - INFO - problem_instance short name: Ti_1
-2024-12-09 01:07:03,913 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,913 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 01:07:03,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,915 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,915 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,915 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 01:07:03,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 01:07:03,915 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 01:07:03,930 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,930 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,930 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 01:07:03,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 01:07:03,930 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,930 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 01:07:03,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,932 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,932 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 01:07:03,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 01:07:03,932 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 01:07:03,947 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,947 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,947 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 01:07:03,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 01:07:03,947 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,947 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 01:07:03,948 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 01:07:03,948 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 01:07:03,948 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,948 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 01:07:03,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,949 - INFO - number of supporting files: 1
-2024-12-09 01:07:03,949 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 01:07:03,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 01:07:03,949 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 01:07:03,964 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,964 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,964 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 01:07:03,964 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 01:07:03,964 - INFO - problem_instance short name: V_1
-2024-12-09 01:07:03,965 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,965 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 01:07:03,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,966 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,966 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 01:07:03,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 01:07:03,966 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 01:07:03,981 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,981 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,981 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 01:07:03,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 01:07:03,981 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,982 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 01:07:03,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:03,983 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:03,983 - INFO - number of supporting files: 2
-2024-12-09 01:07:03,983 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 01:07:03,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 01:07:03,983 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 01:07:03,998 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:03,998 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 01:07:03,998 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 01:07:03,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 01:07:03,999 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:03,999 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 01:07:03,999 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 01:07:03,999 - INFO - problem_instance short name: FeO_0
-2024-12-09 01:07:03,999 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:03,999 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 01:07:04,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,001 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,001 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,001 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 01:07:04,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 01:07:04,001 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 01:07:04,019 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,019 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,019 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 01:07:04,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 01:07:04,019 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,019 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 01:07:04,020 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 01:07:04,020 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 01:07:04,020 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,020 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 01:07:04,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,022 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,022 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,022 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 01:07:04,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 01:07:04,022 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 01:07:04,038 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,038 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,038 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 01:07:04,038 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 01:07:04,038 - INFO - problem_instance short name: mo2_n2
-2024-12-09 01:07:04,038 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,038 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 01:07:04,038 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:04,039 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:04,039 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:04,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,040 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,041 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,041 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 01:07:04,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 01:07:04,041 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 01:07:04,055 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,056 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,056 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 01:07:04,056 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:04,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:04,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:04,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,058 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,058 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,058 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 01:07:04,058 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 01:07:04,058 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 01:07:04,073 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,073 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,073 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 01:07:04,073 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:04,073 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:04,073 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:04,074 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,075 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,075 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,075 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 01:07:04,075 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 01:07:04,075 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 01:07:04,090 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,090 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,090 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 01:07:04,090 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 01:07:04,091 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 01:07:04,091 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,091 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 01:07:04,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,092 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,092 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,092 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 01:07:04,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 01:07:04,092 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 01:07:04,107 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,107 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,107 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 01:07:04,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 01:07:04,107 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,107 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 01:07:04,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,109 - INFO - number of orbitals:  115
-2024-12-09 01:07:04,109 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:04,109 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:04,109 - INFO - moving on ...
-2024-12-09 01:07:04,109 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 01:07:04,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,110 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,110 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,110 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 01:07:04,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 01:07:04,110 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 01:07:04,125 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,125 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,125 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 01:07:04,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 01:07:04,125 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,125 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 01:07:04,125 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 01:07:04,125 - INFO - problem_instance short name: ozone
-2024-12-09 01:07:04,125 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,125 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 01:07:04,126 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:04,126 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:04,126 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:04,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,127 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,128 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,128 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 01:07:04,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 01:07:04,128 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 01:07:04,142 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,142 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,143 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 01:07:04,143 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:04,143 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:04,143 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:04,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,145 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,145 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 01:07:04,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 01:07:04,145 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 01:07:04,159 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,160 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,160 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 01:07:04,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:04,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:04,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:04,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,162 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,162 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,162 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 01:07:04,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 01:07:04,162 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 01:07:04,176 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,177 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,177 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 01:07:04,177 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:04,177 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:04,177 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:04,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,179 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,179 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,179 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 01:07:04,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 01:07:04,179 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 01:07:04,193 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,194 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,194 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 01:07:04,194 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:04,194 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:04,194 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:04,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,196 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,196 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,196 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 01:07:04,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 01:07:04,196 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 01:07:04,211 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,211 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,212 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 01:07:04,212 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:04,212 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:04,212 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:04,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,214 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,214 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,214 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 01:07:04,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 01:07:04,214 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 01:07:04,229 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,229 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,229 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 01:07:04,229 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 01:07:04,229 - INFO - problem_instance short name: MnO_0
-2024-12-09 01:07:04,229 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,229 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 01:07:04,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,231 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,231 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,231 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 01:07:04,231 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 01:07:04,231 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 01:07:04,245 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,246 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,246 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 01:07:04,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 01:07:04,246 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,246 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 01:07:04,246 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 01:07:04,246 - INFO - problem_instance short name: h2_s_0
-2024-12-09 01:07:04,246 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,246 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 01:07:04,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,248 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,248 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,248 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 01:07:04,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 01:07:04,248 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 01:07:04,262 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,263 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,263 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 01:07:04,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 01:07:04,263 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,263 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 01:07:04,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,264 - INFO - number of orbitals:  119
-2024-12-09 01:07:04,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:04,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:04,264 - INFO - moving on ...
-2024-12-09 01:07:04,264 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 01:07:04,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,266 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,266 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 01:07:04,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 01:07:04,266 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 01:07:04,281 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,281 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,281 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 01:07:04,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 01:07:04,281 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,282 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 01:07:04,282 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 01:07:04,282 - INFO - problem_instance short name: Fe_0
-2024-12-09 01:07:04,282 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,282 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 01:07:04,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,283 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,283 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,283 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 01:07:04,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 01:07:04,283 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 01:07:04,298 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,298 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,298 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 01:07:04,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 01:07:04,298 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,299 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 01:07:04,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,300 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,300 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,300 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 01:07:04,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 01:07:04,300 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 01:07:04,314 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,315 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,315 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 01:07:04,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 01:07:04,315 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,315 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 01:07:04,315 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 01:07:04,315 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 01:07:04,315 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,315 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 01:07:04,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,317 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,317 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,317 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 01:07:04,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 01:07:04,317 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 01:07:04,331 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,332 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,332 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 01:07:04,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 01:07:04,332 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,332 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 01:07:04,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,333 - INFO - number of orbitals:  116
-2024-12-09 01:07:04,333 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:04,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:04,333 - INFO - moving on ...
-2024-12-09 01:07:04,333 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 01:07:04,334 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 01:07:04,334 - INFO - problem_instance short name: O_1
-2024-12-09 01:07:04,334 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,334 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 01:07:04,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,335 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,335 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,335 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 01:07:04,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 01:07:04,335 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 01:07:04,349 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,350 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,350 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 01:07:04,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 01:07:04,350 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,350 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 01:07:04,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,351 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,351 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,351 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 01:07:04,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 01:07:04,351 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 01:07:04,366 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,367 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,367 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 01:07:04,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 01:07:04,367 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,367 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 01:07:04,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,368 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,368 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,368 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 01:07:04,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 01:07:04,369 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 01:07:04,383 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,383 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,383 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 01:07:04,383 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 01:07:04,383 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,384 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 01:07:04,384 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 01:07:04,384 - INFO - problem_instance short name: Cr_0
-2024-12-09 01:07:04,384 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,384 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 01:07:04,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,385 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,385 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,385 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 01:07:04,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 01:07:04,385 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 01:07:04,400 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,400 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,400 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 01:07:04,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 01:07:04,401 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,401 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 01:07:04,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,402 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,402 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,402 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 01:07:04,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 01:07:04,402 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 01:07:04,417 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,417 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,417 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 01:07:04,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 01:07:04,417 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,418 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 01:07:04,418 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 01:07:04,418 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 01:07:04,418 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,418 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 01:07:04,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,419 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,419 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,419 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 01:07:04,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 01:07:04,419 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 01:07:04,434 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,435 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,435 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 01:07:04,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 01:07:04,435 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,435 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 01:07:04,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,437 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,437 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,437 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 01:07:04,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 01:07:04,437 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 01:07:04,452 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,452 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,452 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 01:07:04,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 01:07:04,452 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,452 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 01:07:04,453 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 01:07:04,453 - INFO - problem_instance short name: Fe_1
-2024-12-09 01:07:04,453 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,453 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 01:07:04,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,454 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,454 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,454 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 01:07:04,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 01:07:04,454 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 01:07:04,469 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,469 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,469 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 01:07:04,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 01:07:04,470 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,470 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 01:07:04,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,471 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,471 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,471 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 01:07:04,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 01:07:04,471 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 01:07:04,486 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,486 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,486 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 01:07:04,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 01:07:04,487 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,487 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 01:07:04,487 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 01:07:04,487 - INFO - problem_instance short name: Mn_0
-2024-12-09 01:07:04,487 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,487 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 01:07:04,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,488 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,488 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,488 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 01:07:04,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 01:07:04,489 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 01:07:04,503 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,504 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,504 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 01:07:04,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 01:07:04,504 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,504 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 01:07:04,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,505 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,505 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,506 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 01:07:04,506 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 01:07:04,506 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 01:07:04,520 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,520 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,520 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 01:07:04,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 01:07:04,521 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,521 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 01:07:04,521 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 01:07:04,521 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 01:07:04,521 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,521 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 01:07:04,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,522 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,522 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,522 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 01:07:04,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 01:07:04,523 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 01:07:04,537 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,538 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,538 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 01:07:04,538 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 01:07:04,538 - INFO - problem_instance short name: Cu_1
-2024-12-09 01:07:04,538 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,538 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 01:07:04,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,539 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,540 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,540 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 01:07:04,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 01:07:04,540 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 01:07:04,554 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,555 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,555 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 01:07:04,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 01:07:04,555 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,555 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 01:07:04,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,557 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,557 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,557 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 01:07:04,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 01:07:04,557 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 01:07:04,572 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,572 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,574 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 01:07:04,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 01:07:04,574 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,574 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 01:07:04,574 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 01:07:04,574 - INFO - problem_instance short name: Sc_0
-2024-12-09 01:07:04,574 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,574 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 01:07:04,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,576 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,576 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,576 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 01:07:04,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 01:07:04,576 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 01:07:04,591 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,591 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,591 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 01:07:04,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 01:07:04,592 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,592 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 01:07:04,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,593 - INFO - number of orbitals:  135
-2024-12-09 01:07:04,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:04,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:04,593 - INFO - moving on ...
-2024-12-09 01:07:04,593 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 01:07:04,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,595 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,595 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,595 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 01:07:04,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 01:07:04,595 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 01:07:04,610 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,610 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,610 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 01:07:04,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 01:07:04,611 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,611 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 01:07:04,611 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 01:07:04,611 - INFO - problem_instance short name: VO_0
-2024-12-09 01:07:04,611 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,611 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 01:07:04,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,612 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,612 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 01:07:04,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 01:07:04,613 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 01:07:04,628 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,628 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,628 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 01:07:04,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 01:07:04,628 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,628 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 01:07:04,629 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 01:07:04,629 - INFO - problem_instance short name: c_o_0
-2024-12-09 01:07:04,629 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,629 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 01:07:04,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,630 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,630 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,631 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 01:07:04,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 01:07:04,631 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 01:07:04,646 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,647 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,647 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 01:07:04,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 01:07:04,647 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,647 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 01:07:04,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,648 - INFO - number of orbitals:  110
-2024-12-09 01:07:04,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:04,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:04,648 - INFO - moving on ...
-2024-12-09 01:07:04,648 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 01:07:04,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,650 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,650 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 01:07:04,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 01:07:04,650 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 01:07:04,664 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,665 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,665 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 01:07:04,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 01:07:04,665 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,665 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 01:07:04,665 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 01:07:04,665 - INFO - problem_instance short name: cl2_0
-2024-12-09 01:07:04,665 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,665 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 01:07:04,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,667 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,667 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,667 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 01:07:04,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 01:07:04,667 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 01:07:04,682 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,682 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,682 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 01:07:04,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 01:07:04,682 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,682 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 01:07:04,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,684 - INFO - number of orbitals:  118
-2024-12-09 01:07:04,684 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:04,684 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:04,684 - INFO - moving on ...
-2024-12-09 01:07:04,684 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 01:07:04,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,685 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,685 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,685 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 01:07:04,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 01:07:04,685 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 01:07:04,699 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,700 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,700 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 01:07:04,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 01:07:04,700 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,700 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 01:07:04,700 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 01:07:04,700 - INFO - problem_instance short name: V_0
-2024-12-09 01:07:04,700 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,700 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 01:07:04,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,702 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,702 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,702 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 01:07:04,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 01:07:04,702 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 01:07:04,716 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,717 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,717 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 01:07:04,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 01:07:04,717 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,717 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 01:07:04,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,718 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,718 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,718 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 01:07:04,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 01:07:04,718 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 01:07:04,733 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,733 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,733 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 01:07:04,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 01:07:04,733 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,733 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 01:07:04,733 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 01:07:04,733 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 01:07:04,733 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,734 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 01:07:04,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,735 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,735 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 01:07:04,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 01:07:04,735 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 01:07:04,750 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,750 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,750 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 01:07:04,751 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 01:07:04,751 - INFO - problem_instance short name: h_cl_0
-2024-12-09 01:07:04,751 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,751 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 01:07:04,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,752 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,752 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,752 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 01:07:04,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 01:07:04,752 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 01:07:04,767 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,768 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,768 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 01:07:04,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 01:07:04,768 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,768 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 01:07:04,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,769 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,769 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,770 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 01:07:04,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 01:07:04,770 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 01:07:04,785 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,785 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,785 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 01:07:04,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 01:07:04,785 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,786 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 01:07:04,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,787 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,787 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,787 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 01:07:04,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 01:07:04,787 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 01:07:04,802 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,802 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,802 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 01:07:04,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 01:07:04,802 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,802 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 01:07:04,802 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 01:07:04,802 - INFO - problem_instance short name: V_1
-2024-12-09 01:07:04,802 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,803 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 01:07:04,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,804 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,804 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,804 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 01:07:04,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 01:07:04,804 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 01:07:04,819 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,819 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,819 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 01:07:04,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 01:07:04,819 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,819 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 01:07:04,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,821 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,821 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,821 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 01:07:04,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 01:07:04,821 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 01:07:04,836 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,836 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,836 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 01:07:04,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 01:07:04,836 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,836 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 01:07:04,836 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 01:07:04,836 - INFO - problem_instance short name: CrO_0
-2024-12-09 01:07:04,837 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,837 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 01:07:04,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,838 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,838 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,838 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 01:07:04,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 01:07:04,838 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 01:07:04,853 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,853 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,853 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 01:07:04,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 01:07:04,853 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,853 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 01:07:04,854 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 01:07:04,854 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 01:07:04,854 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,854 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 01:07:04,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,855 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,855 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 01:07:04,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 01:07:04,855 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 01:07:04,870 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,871 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,871 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 01:07:04,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 01:07:04,871 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,871 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 01:07:04,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,873 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,873 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,873 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 01:07:04,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 01:07:04,873 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 01:07:04,889 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,889 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,889 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 01:07:04,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 01:07:04,889 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,890 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 01:07:04,890 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 01:07:04,890 - INFO - problem_instance short name: li_f_0
-2024-12-09 01:07:04,890 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,890 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 01:07:04,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,891 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,891 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,891 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 01:07:04,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 01:07:04,891 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 01:07:04,906 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,907 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,907 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 01:07:04,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 01:07:04,907 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,907 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 01:07:04,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,909 - INFO - number of orbitals:  110
-2024-12-09 01:07:04,909 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:04,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:04,909 - INFO - moving on ...
-2024-12-09 01:07:04,909 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 01:07:04,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,910 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,910 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,910 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 01:07:04,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 01:07:04,910 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 01:07:04,926 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,926 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,926 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 01:07:04,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 01:07:04,926 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,926 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 01:07:04,927 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 01:07:04,927 - INFO - problem_instance short name: Cr_1
-2024-12-09 01:07:04,927 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,927 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 01:07:04,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,928 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,928 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,928 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 01:07:04,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 01:07:04,929 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 01:07:04,944 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,945 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,945 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 01:07:04,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 01:07:04,945 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,945 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 01:07:04,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,946 - INFO - number of orbitals:  135
-2024-12-09 01:07:04,946 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:04,946 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:04,946 - INFO - moving on ...
-2024-12-09 01:07:04,946 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 01:07:04,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,948 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,948 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,948 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 01:07:04,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 01:07:04,948 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 01:07:04,962 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,963 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,963 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 01:07:04,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 01:07:04,963 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,963 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 01:07:04,963 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 01:07:04,963 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 01:07:04,963 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,963 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 01:07:04,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,965 - INFO - number of supporting files: 1
-2024-12-09 01:07:04,965 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 01:07:04,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 01:07:04,965 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 01:07:04,980 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,980 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,980 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 01:07:04,980 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 01:07:04,980 - INFO - problem_instance short name: Cu_0
-2024-12-09 01:07:04,980 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:04,981 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 01:07:04,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,982 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,982 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,982 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 01:07:04,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 01:07:04,982 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 01:07:04,997 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:04,997 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 01:07:04,997 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 01:07:04,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 01:07:04,997 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:04,997 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 01:07:04,999 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:04,999 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:04,999 - INFO - number of supporting files: 2
-2024-12-09 01:07:04,999 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 01:07:04,999 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 01:07:04,999 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 01:07:05,014 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,014 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,014 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 01:07:05,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 01:07:05,014 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,014 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 01:07:05,015 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 01:07:05,015 - INFO - problem_instance short name: c_o2_0
-2024-12-09 01:07:05,015 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,015 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 01:07:05,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,016 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,016 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,016 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 01:07:05,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 01:07:05,016 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 01:07:05,031 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,031 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,031 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 01:07:05,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 01:07:05,031 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,031 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 01:07:05,033 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,033 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,033 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,033 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 01:07:05,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 01:07:05,033 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 01:07:05,047 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,048 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,048 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 01:07:05,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 01:07:05,048 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,048 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 01:07:05,048 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 01:07:05,048 - INFO - problem_instance short name: cr_dimer
-2024-12-09 01:07:05,048 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,048 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 01:07:05,048 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,049 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,050 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,051 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,051 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 01:07:05,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 01:07:05,051 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 01:07:05,066 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,066 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,066 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 01:07:05,066 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,067 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,067 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,069 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,069 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 01:07:05,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 01:07:05,069 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 01:07:05,083 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,084 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,084 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 01:07:05,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,086 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,086 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 01:07:05,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 01:07:05,086 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 01:07:05,101 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,101 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,101 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 01:07:05,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,103 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,103 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 01:07:05,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 01:07:05,104 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 01:07:05,118 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,119 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,119 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 01:07:05,119 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,119 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,119 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,121 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,121 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,121 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 01:07:05,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 01:07:05,121 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 01:07:05,136 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,136 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,136 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 01:07:05,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,138 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,138 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,138 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 01:07:05,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 01:07:05,138 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 01:07:05,154 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,154 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,154 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 01:07:05,154 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,154 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,154 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,157 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,157 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,157 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 01:07:05,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 01:07:05,157 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 01:07:05,172 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,172 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,172 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 01:07:05,172 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,173 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,173 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,175 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,175 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,175 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 01:07:05,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 01:07:05,175 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 01:07:05,191 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,191 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,191 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 01:07:05,191 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,191 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,191 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,193 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,193 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,193 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 01:07:05,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 01:07:05,193 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 01:07:05,208 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,208 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,208 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 01:07:05,209 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,209 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,209 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,211 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,211 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,211 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 01:07:05,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 01:07:05,211 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 01:07:05,226 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,227 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,227 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 01:07:05,227 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,227 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,227 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,230 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,230 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,230 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 01:07:05,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 01:07:05,230 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 01:07:05,247 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,247 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,247 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 01:07:05,247 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,248 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,248 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,250 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,250 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,250 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 01:07:05,250 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 01:07:05,250 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 01:07:05,264 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,265 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,265 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 01:07:05,265 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 01:07:05,265 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 01:07:05,265 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,265 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 01:07:05,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,267 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,267 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,267 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 01:07:05,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 01:07:05,267 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 01:07:05,282 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,282 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,282 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 01:07:05,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 01:07:05,282 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,282 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 01:07:05,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,284 - INFO - number of orbitals:  119
-2024-12-09 01:07:05,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:05,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:05,284 - INFO - moving on ...
-2024-12-09 01:07:05,284 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 01:07:05,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,285 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,285 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,285 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 01:07:05,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 01:07:05,285 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 01:07:05,300 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,300 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,300 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 01:07:05,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 01:07:05,300 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,300 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 01:07:05,300 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 01:07:05,300 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 01:07:05,300 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,300 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 01:07:05,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,302 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,302 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,302 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 01:07:05,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 01:07:05,302 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 01:07:05,316 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,317 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,317 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 01:07:05,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 01:07:05,317 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,317 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 01:07:05,317 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 01:07:05,317 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 01:07:05,317 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,317 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 01:07:05,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,318 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,318 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,319 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,320 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,320 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 01:07:05,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 01:07:05,320 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 01:07:05,334 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,334 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,334 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 01:07:05,334 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,334 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,334 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,336 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,336 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 01:07:05,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 01:07:05,336 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 01:07:05,352 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,352 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,353 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 01:07:05,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,355 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,355 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,355 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 01:07:05,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 01:07:05,355 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 01:07:05,370 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,370 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,371 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 01:07:05,371 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,371 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,371 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,373 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,373 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,373 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 01:07:05,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 01:07:05,374 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 01:07:05,389 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,389 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,389 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 01:07:05,389 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,390 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,390 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,392 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,392 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,392 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 01:07:05,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 01:07:05,393 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 01:07:05,409 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,409 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,409 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 01:07:05,409 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,411 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,411 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,412 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 01:07:05,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 01:07:05,412 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 01:07:05,427 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,427 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,427 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 01:07:05,427 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,427 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,427 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,429 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,429 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,429 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 01:07:05,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 01:07:05,430 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 01:07:05,444 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,445 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,445 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 01:07:05,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,447 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,447 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 01:07:05,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 01:07:05,447 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 01:07:05,462 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,462 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,462 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 01:07:05,462 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,462 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,462 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,464 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,464 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,464 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 01:07:05,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 01:07:05,464 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 01:07:05,480 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,480 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,480 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 01:07:05,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,481 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,481 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,483 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,483 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,483 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 01:07:05,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 01:07:05,483 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 01:07:05,498 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,498 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,498 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 01:07:05,499 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,499 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,499 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,501 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,501 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,501 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 01:07:05,501 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 01:07:05,501 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 01:07:05,516 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,516 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,516 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 01:07:05,516 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,517 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,517 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,518 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,519 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,519 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 01:07:05,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 01:07:05,519 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 01:07:05,534 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,534 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,534 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 01:07:05,534 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,534 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,536 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,536 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,536 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 01:07:05,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 01:07:05,536 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 01:07:05,551 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,551 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,551 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 01:07:05,551 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,551 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,551 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,553 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,553 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,553 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 01:07:05,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 01:07:05,554 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 01:07:05,568 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,568 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,568 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 01:07:05,568 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,569 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,569 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,570 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,570 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,570 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 01:07:05,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 01:07:05,571 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 01:07:05,585 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,585 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,585 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 01:07:05,586 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,586 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,586 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,587 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,588 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,588 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 01:07:05,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 01:07:05,588 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 01:07:05,602 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,603 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,603 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 01:07:05,603 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 01:07:05,603 - INFO - problem_instance short name: c_h4_0
-2024-12-09 01:07:05,603 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,603 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 01:07:05,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,604 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,604 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 01:07:05,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 01:07:05,605 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 01:07:05,619 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,619 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,619 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 01:07:05,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 01:07:05,619 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,619 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 01:07:05,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,621 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,621 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,621 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 01:07:05,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 01:07:05,621 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 01:07:05,635 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,635 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,635 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 01:07:05,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 01:07:05,635 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,635 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 01:07:05,635 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 01:07:05,635 - INFO - problem_instance short name: h2_o_0
-2024-12-09 01:07:05,635 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,635 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 01:07:05,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,637 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,637 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,637 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 01:07:05,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 01:07:05,637 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 01:07:05,651 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,652 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,652 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 01:07:05,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 01:07:05,652 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,652 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 01:07:05,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,653 - INFO - number of orbitals:  115
-2024-12-09 01:07:05,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:05,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:05,653 - INFO - moving on ...
-2024-12-09 01:07:05,653 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 01:07:05,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,655 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,655 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,655 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 01:07:05,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 01:07:05,655 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 01:07:05,669 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,669 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,669 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 01:07:05,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 01:07:05,669 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,669 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 01:07:05,670 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 01:07:05,670 - INFO - problem_instance short name: ru_mono
-2024-12-09 01:07:05,670 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,670 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 01:07:05,670 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,670 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,670 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,672 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,672 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,672 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 01:07:05,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 01:07:05,672 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 01:07:05,686 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,687 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,687 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 01:07:05,687 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,687 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,687 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,689 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,689 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,689 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 01:07:05,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 01:07:05,689 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 01:07:05,704 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,704 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,704 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 01:07:05,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,707 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,707 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,707 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 01:07:05,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 01:07:05,707 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 01:07:05,722 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,722 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,722 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 01:07:05,722 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,722 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,722 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,724 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,724 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,724 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 01:07:05,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 01:07:05,724 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 01:07:05,740 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,741 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,741 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 01:07:05,741 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,741 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,741 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,743 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,743 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,743 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 01:07:05,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 01:07:05,744 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 01:07:05,758 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,758 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,759 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 01:07:05,759 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:05,759 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:05,759 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:05,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,761 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,761 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,761 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 01:07:05,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 01:07:05,761 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 01:07:05,776 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,776 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,776 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 01:07:05,776 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 01:07:05,776 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 01:07:05,776 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,776 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 01:07:05,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,778 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,778 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,778 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 01:07:05,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 01:07:05,778 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 01:07:05,793 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,793 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,793 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 01:07:05,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 01:07:05,793 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,793 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 01:07:05,793 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 01:07:05,793 - INFO - problem_instance short name: p_h3_0
-2024-12-09 01:07:05,793 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,793 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 01:07:05,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,795 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,795 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,795 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 01:07:05,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 01:07:05,795 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 01:07:05,809 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,810 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,810 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 01:07:05,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 01:07:05,810 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,810 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 01:07:05,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,812 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,812 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,812 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 01:07:05,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 01:07:05,812 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 01:07:05,827 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,827 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,827 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 01:07:05,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 01:07:05,827 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,827 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 01:07:05,827 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 01:07:05,827 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 01:07:05,827 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,828 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 01:07:05,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,829 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,829 - INFO - number of supporting files: 1
-2024-12-09 01:07:05,829 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 01:07:05,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 01:07:05,830 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 01:07:05,848 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,848 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,848 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 01:07:05,848 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 01:07:05,849 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 01:07:05,849 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,849 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 01:07:05,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,850 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,850 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,850 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 01:07:05,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 01:07:05,850 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 01:07:05,868 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,868 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,868 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 01:07:05,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 01:07:05,868 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,868 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 01:07:05,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,869 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,870 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,870 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 01:07:05,870 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 01:07:05,870 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 01:07:05,884 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,884 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,884 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 01:07:05,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 01:07:05,884 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,884 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 01:07:05,885 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 01:07:05,885 - INFO - problem_instance short name: li2_0
-2024-12-09 01:07:05,885 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,885 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 01:07:05,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,886 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,886 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,886 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 01:07:05,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 01:07:05,886 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 01:07:05,901 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,901 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,901 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 01:07:05,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 01:07:05,901 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,901 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 01:07:05,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,903 - INFO - number of orbitals:  110
-2024-12-09 01:07:05,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:05,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:05,903 - INFO - moving on ...
-2024-12-09 01:07:05,903 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 01:07:05,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,904 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,904 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,904 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 01:07:05,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 01:07:05,904 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 01:07:05,919 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,919 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,919 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 01:07:05,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 01:07:05,919 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,919 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 01:07:05,919 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 01:07:05,919 - INFO - problem_instance short name: na_cl_0
-2024-12-09 01:07:05,920 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,920 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 01:07:05,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,921 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,921 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,921 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 01:07:05,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 01:07:05,921 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 01:07:05,936 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,937 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,937 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 01:07:05,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 01:07:05,937 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,937 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 01:07:05,938 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,938 - INFO - number of orbitals:  118
-2024-12-09 01:07:05,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:05,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:05,939 - INFO - moving on ...
-2024-12-09 01:07:05,939 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 01:07:05,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,940 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,940 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,940 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 01:07:05,940 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 01:07:05,940 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 01:07:05,955 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,956 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,956 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 01:07:05,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 01:07:05,956 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,956 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 01:07:05,956 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 01:07:05,956 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 01:07:05,956 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,956 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 01:07:05,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,958 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,958 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 01:07:05,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 01:07:05,958 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 01:07:05,973 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,974 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,974 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 01:07:05,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 01:07:05,974 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,974 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 01:07:05,974 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 01:07:05,974 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 01:07:05,974 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,974 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 01:07:05,976 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,976 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,976 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,976 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 01:07:05,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 01:07:05,976 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 01:07:05,991 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:05,991 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 01:07:05,991 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 01:07:05,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 01:07:05,992 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:05,992 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 01:07:05,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,993 - INFO - number of orbitals:  106
-2024-12-09 01:07:05,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:05,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:05,993 - INFO - moving on ...
-2024-12-09 01:07:05,993 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 01:07:05,993 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 01:07:05,993 - INFO - problem_instance short name: Mn_1
-2024-12-09 01:07:05,993 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:05,993 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 01:07:05,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:05,995 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:05,995 - INFO - number of supporting files: 2
-2024-12-09 01:07:05,995 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 01:07:05,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 01:07:05,995 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 01:07:06,010 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,011 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,011 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 01:07:06,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 01:07:06,011 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,011 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 01:07:06,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,012 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,012 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,012 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 01:07:06,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 01:07:06,013 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 01:07:06,027 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,027 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,027 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 01:07:06,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 01:07:06,028 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,028 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 01:07:06,028 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 01:07:06,028 - INFO - problem_instance short name: mn_mono
-2024-12-09 01:07:06,028 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,028 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 01:07:06,028 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,028 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,028 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,030 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,030 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,030 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 01:07:06,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 01:07:06,030 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 01:07:06,045 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,045 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,045 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 01:07:06,045 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,046 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,046 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,047 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,047 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,047 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 01:07:06,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 01:07:06,048 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 01:07:06,062 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,063 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,063 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 01:07:06,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,065 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,065 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,065 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 01:07:06,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 01:07:06,065 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 01:07:06,080 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,080 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,080 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 01:07:06,080 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,080 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,080 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,082 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,082 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,082 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 01:07:06,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 01:07:06,082 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 01:07:06,097 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,098 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,098 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 01:07:06,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,100 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,100 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,100 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 01:07:06,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 01:07:06,100 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 01:07:06,117 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,117 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,117 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 01:07:06,117 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,120 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,120 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,120 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 01:07:06,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 01:07:06,120 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 01:07:06,141 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,141 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,142 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 01:07:06,142 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,142 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,142 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,144 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,145 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,145 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 01:07:06,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 01:07:06,145 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 01:07:06,165 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,166 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,166 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 01:07:06,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,169 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,169 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,169 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 01:07:06,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 01:07:06,169 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 01:07:06,189 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,190 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,190 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 01:07:06,190 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 01:07:06,190 - INFO - problem_instance short name: Ti_1
-2024-12-09 01:07:06,191 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,191 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 01:07:06,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,193 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,193 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,193 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 01:07:06,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 01:07:06,193 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 01:07:06,212 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,212 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,212 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 01:07:06,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 01:07:06,212 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,212 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 01:07:06,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,214 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,214 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,214 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 01:07:06,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 01:07:06,214 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 01:07:06,229 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,229 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,229 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 01:07:06,229 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 01:07:06,229 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,229 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 01:07:06,229 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 01:07:06,229 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 01:07:06,230 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,230 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 01:07:06,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,231 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,231 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,231 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 01:07:06,231 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 01:07:06,231 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 01:07:06,246 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,246 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,246 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 01:07:06,247 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 01:07:06,247 - INFO - problem_instance short name: mo2_n2
-2024-12-09 01:07:06,247 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,247 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 01:07:06,247 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,247 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,247 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,249 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,249 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,249 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 01:07:06,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 01:07:06,249 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 01:07:06,264 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,265 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,265 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 01:07:06,265 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,265 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,265 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,267 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,267 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,267 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 01:07:06,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 01:07:06,267 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 01:07:06,283 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,283 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,283 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 01:07:06,283 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,283 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,285 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,285 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,285 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 01:07:06,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 01:07:06,285 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 01:07:06,300 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,301 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,301 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 01:07:06,301 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 01:07:06,301 - INFO - problem_instance short name: na2_0
-2024-12-09 01:07:06,301 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,301 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 01:07:06,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,302 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,302 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,302 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 01:07:06,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 01:07:06,303 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 01:07:06,317 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,318 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,318 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 01:07:06,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 01:07:06,318 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,318 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 01:07:06,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,319 - INFO - number of orbitals:  118
-2024-12-09 01:07:06,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:06,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:06,320 - INFO - moving on ...
-2024-12-09 01:07:06,320 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 01:07:06,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,321 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,321 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,321 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 01:07:06,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 01:07:06,321 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 01:07:06,336 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,337 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,337 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 01:07:06,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 01:07:06,337 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,337 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 01:07:06,337 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 01:07:06,338 - INFO - problem_instance short name: blue_dimer
-2024-12-09 01:07:06,338 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,338 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 01:07:06,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,340 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,340 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,340 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 01:07:06,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 01:07:06,340 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 01:07:06,355 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,356 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,356 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 01:07:06,356 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,356 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,356 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,358 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,358 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,358 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 01:07:06,358 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 01:07:06,358 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 01:07:06,373 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,373 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,373 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 01:07:06,373 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,374 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,374 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,375 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,375 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,375 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 01:07:06,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 01:07:06,376 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 01:07:06,390 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,390 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,390 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 01:07:06,390 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,390 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,392 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,392 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,392 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 01:07:06,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 01:07:06,393 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 01:07:06,406 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,407 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,407 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 01:07:06,407 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,407 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,407 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,409 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,409 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 01:07:06,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 01:07:06,409 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 01:07:06,423 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,424 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,424 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 01:07:06,424 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,424 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,424 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,426 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,426 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,426 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 01:07:06,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 01:07:06,426 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 01:07:06,441 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,441 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,441 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 01:07:06,441 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,441 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,441 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,443 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,443 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,443 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 01:07:06,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 01:07:06,443 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 01:07:06,458 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,458 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,458 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 01:07:06,458 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,458 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,459 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,460 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,460 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,460 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 01:07:06,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 01:07:06,460 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 01:07:06,475 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,475 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,475 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 01:07:06,475 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,475 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,475 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,477 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,477 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,477 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 01:07:06,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 01:07:06,477 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 01:07:06,492 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,492 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,492 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 01:07:06,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,492 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,492 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,494 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,494 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,494 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 01:07:06,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 01:07:06,494 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 01:07:06,509 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,509 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,509 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 01:07:06,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,509 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,509 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,511 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,511 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,511 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 01:07:06,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 01:07:06,511 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 01:07:06,525 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,526 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,526 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 01:07:06,526 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,526 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,526 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,528 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,528 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,528 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 01:07:06,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 01:07:06,528 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 01:07:06,542 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,542 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,542 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 01:07:06,543 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 01:07:06,543 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 01:07:06,543 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,543 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 01:07:06,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,544 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,544 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 01:07:06,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 01:07:06,544 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 01:07:06,559 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,560 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,560 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 01:07:06,560 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 01:07:06,560 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 01:07:06,560 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,560 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 01:07:06,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,561 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,561 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,561 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 01:07:06,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 01:07:06,562 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 01:07:06,576 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,576 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,576 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 01:07:06,577 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 01:07:06,577 - INFO - problem_instance short name: benzene
-2024-12-09 01:07:06,577 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,577 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 01:07:06,577 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,577 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,577 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,579 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,579 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,579 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 01:07:06,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 01:07:06,579 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 01:07:06,594 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,594 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,594 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 01:07:06,594 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,594 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,595 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,596 - INFO - number of orbitals:  108
-2024-12-09 01:07:06,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:06,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:06,597 - INFO - moving on ...
-2024-12-09 01:07:06,597 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 01:07:06,597 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 01:07:06,597 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 01:07:06,597 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,597 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 01:07:06,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,598 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,598 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,598 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 01:07:06,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 01:07:06,598 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 01:07:06,613 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,613 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,613 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 01:07:06,614 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 01:07:06,614 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 01:07:06,614 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,614 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 01:07:06,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,615 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,615 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,615 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 01:07:06,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 01:07:06,615 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 01:07:06,630 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,630 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,630 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 01:07:06,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 01:07:06,631 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,631 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 01:07:06,631 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 01:07:06,631 - INFO - problem_instance short name: c_s_0
-2024-12-09 01:07:06,631 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,631 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 01:07:06,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,632 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,632 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,632 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 01:07:06,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 01:07:06,632 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 01:07:06,647 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,647 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,647 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 01:07:06,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 01:07:06,647 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,647 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 01:07:06,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,649 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,649 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,649 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 01:07:06,649 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 01:07:06,649 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 01:07:06,663 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,664 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,664 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 01:07:06,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 01:07:06,664 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,664 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 01:07:06,664 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 01:07:06,664 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 01:07:06,664 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,664 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 01:07:06,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,666 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,666 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 01:07:06,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 01:07:06,666 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 01:07:06,680 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,681 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,681 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 01:07:06,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 01:07:06,681 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,681 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 01:07:06,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,682 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,682 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,682 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 01:07:06,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 01:07:06,682 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 01:07:06,697 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,697 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,697 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 01:07:06,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 01:07:06,698 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,698 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 01:07:06,698 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 01:07:06,698 - INFO - problem_instance short name: h_f_0
-2024-12-09 01:07:06,698 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,698 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 01:07:06,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,699 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,699 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,699 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 01:07:06,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 01:07:06,699 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 01:07:06,714 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,714 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,714 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 01:07:06,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 01:07:06,714 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,714 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 01:07:06,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,716 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,716 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,716 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 01:07:06,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 01:07:06,716 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 01:07:06,731 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,731 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,731 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 01:07:06,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 01:07:06,731 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,731 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 01:07:06,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,733 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,733 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,733 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 01:07:06,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 01:07:06,733 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 01:07:06,748 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,748 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,748 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 01:07:06,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 01:07:06,749 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,749 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 01:07:06,749 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 01:07:06,749 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 01:07:06,749 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,749 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 01:07:06,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,750 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,750 - INFO - number of supporting files: 2
-2024-12-09 01:07:06,751 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 01:07:06,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 01:07:06,751 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 01:07:06,765 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,765 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,765 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 01:07:06,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 01:07:06,766 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:06,766 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 01:07:06,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,767 - INFO - number of orbitals:  116
-2024-12-09 01:07:06,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:06,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:06,767 - INFO - moving on ...
-2024-12-09 01:07:06,767 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 01:07:06,767 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 01:07:06,767 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 01:07:06,767 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,767 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 01:07:06,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,769 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,769 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,769 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 01:07:06,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 01:07:06,769 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 01:07:06,783 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,783 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,783 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 01:07:06,784 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 01:07:06,784 - INFO - problem_instance short name: mo_n2
-2024-12-09 01:07:06,784 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,784 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 01:07:06,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,786 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,786 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,786 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 01:07:06,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 01:07:06,786 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 01:07:06,802 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,802 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,802 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 01:07:06,802 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,802 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,802 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,804 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,804 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,804 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 01:07:06,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 01:07:06,804 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 01:07:06,820 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,820 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,820 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 01:07:06,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,823 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,823 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,823 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 01:07:06,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 01:07:06,823 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 01:07:06,838 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,838 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,838 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 01:07:06,838 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,838 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,838 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,840 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,840 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,840 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 01:07:06,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 01:07:06,840 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 01:07:06,855 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,856 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,856 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 01:07:06,856 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 01:07:06,856 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 01:07:06,856 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,856 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 01:07:06,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,857 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,857 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,857 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 01:07:06,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 01:07:06,858 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 01:07:06,873 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,873 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,874 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 01:07:06,874 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 01:07:06,874 - INFO - problem_instance short name: ru_macho
-2024-12-09 01:07:06,874 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 01:07:06,874 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 01:07:06,874 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,874 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,874 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,876 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,876 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,876 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 01:07:06,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 01:07:06,876 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 01:07:06,891 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,892 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,892 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 01:07:06,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,894 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,894 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 01:07:06,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 01:07:06,894 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 01:07:06,909 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,909 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,909 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 01:07:06,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,910 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,910 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,911 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,912 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 01:07:06,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 01:07:06,912 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 01:07:06,926 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,926 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,926 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 01:07:06,926 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,927 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,927 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,928 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,929 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,929 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 01:07:06,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 01:07:06,929 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 01:07:06,944 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,944 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,944 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 01:07:06,944 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,944 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,947 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,947 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,947 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 01:07:06,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 01:07:06,947 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 01:07:06,961 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,961 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,961 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 01:07:06,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,963 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,963 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,963 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 01:07:06,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 01:07:06,963 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 01:07:06,977 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,978 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,978 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 01:07:06,978 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,978 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,978 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,980 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,980 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,980 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 01:07:06,980 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 01:07:06,980 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 01:07:06,995 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:06,995 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 01:07:06,995 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 01:07:06,995 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:06,995 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:06,995 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:06,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:06,997 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:06,997 - INFO - number of supporting files: 1
-2024-12-09 01:07:06,997 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 01:07:06,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 01:07:06,997 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 01:07:07,013 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,014 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,014 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 01:07:07,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,016 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,016 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,016 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 01:07:07,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 01:07:07,016 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 01:07:07,031 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,031 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,031 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 01:07:07,032 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 01:07:07,032 - INFO - problem_instance short name: si_h4_0
-2024-12-09 01:07:07,032 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,032 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 01:07:07,033 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,033 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,033 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,033 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 01:07:07,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 01:07:07,033 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 01:07:07,048 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,048 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,048 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 01:07:07,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 01:07:07,048 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,048 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 01:07:07,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,050 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,050 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,050 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 01:07:07,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 01:07:07,050 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 01:07:07,064 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,064 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,064 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 01:07:07,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 01:07:07,064 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,064 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 01:07:07,064 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 01:07:07,064 - INFO - problem_instance short name: p2_0
-2024-12-09 01:07:07,065 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,065 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 01:07:07,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,066 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,066 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,066 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 01:07:07,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 01:07:07,066 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 01:07:07,081 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,081 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,081 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 01:07:07,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 01:07:07,081 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,081 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 01:07:07,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,083 - INFO - number of orbitals:  118
-2024-12-09 01:07:07,083 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:07,083 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:07,083 - INFO - moving on ...
-2024-12-09 01:07:07,083 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 01:07:07,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,084 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,084 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,084 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 01:07:07,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 01:07:07,084 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 01:07:07,099 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,100 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,100 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 01:07:07,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 01:07:07,100 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,100 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 01:07:07,100 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 01:07:07,100 - INFO - problem_instance short name: O_0
-2024-12-09 01:07:07,100 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,100 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 01:07:07,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,102 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,102 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,102 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 01:07:07,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 01:07:07,102 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 01:07:07,116 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,116 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,116 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 01:07:07,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 01:07:07,116 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,116 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 01:07:07,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,118 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,118 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,118 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 01:07:07,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 01:07:07,118 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 01:07:07,133 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,133 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,134 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 01:07:07,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 01:07:07,134 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,134 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 01:07:07,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,135 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,135 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,135 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 01:07:07,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 01:07:07,135 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 01:07:07,151 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,151 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,151 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 01:07:07,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 01:07:07,151 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,151 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 01:07:07,152 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 01:07:07,152 - INFO - problem_instance short name: Ti_0
-2024-12-09 01:07:07,152 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,152 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 01:07:07,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,153 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,153 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,153 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 01:07:07,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 01:07:07,153 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 01:07:07,167 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,168 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,168 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 01:07:07,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 01:07:07,168 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,168 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 01:07:07,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,169 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,169 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,169 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 01:07:07,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 01:07:07,169 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 01:07:07,184 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,184 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,184 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 01:07:07,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 01:07:07,184 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,184 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 01:07:07,184 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 01:07:07,184 - INFO - problem_instance short name: n_h3_0
-2024-12-09 01:07:07,184 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,184 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 01:07:07,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,186 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,186 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,186 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 01:07:07,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 01:07:07,186 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 01:07:07,202 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,202 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,202 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 01:07:07,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 01:07:07,202 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,203 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 01:07:07,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,204 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,204 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 01:07:07,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 01:07:07,204 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 01:07:07,218 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,219 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,219 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 01:07:07,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 01:07:07,219 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,219 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 01:07:07,219 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 01:07:07,219 - INFO - problem_instance short name: TiO_0
-2024-12-09 01:07:07,219 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,219 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 01:07:07,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,221 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,221 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,221 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 01:07:07,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 01:07:07,221 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 01:07:07,236 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,236 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,236 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 01:07:07,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 01:07:07,236 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,236 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 01:07:07,236 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 01:07:07,236 - INFO - problem_instance short name: f2_0
-2024-12-09 01:07:07,237 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,237 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 01:07:07,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,238 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,238 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,238 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 01:07:07,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 01:07:07,238 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 01:07:07,253 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,253 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,253 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 01:07:07,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 01:07:07,253 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,253 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 01:07:07,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,255 - INFO - number of orbitals:  110
-2024-12-09 01:07:07,255 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:07,255 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:07,255 - INFO - moving on ...
-2024-12-09 01:07:07,255 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 01:07:07,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,256 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,256 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,256 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 01:07:07,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 01:07:07,256 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 01:07:07,271 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,271 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,271 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 01:07:07,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 01:07:07,272 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,272 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 01:07:07,272 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 01:07:07,272 - INFO - problem_instance short name: Sc_1
-2024-12-09 01:07:07,272 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,272 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 01:07:07,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,273 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,273 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,273 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 01:07:07,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 01:07:07,273 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 01:07:07,288 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,288 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,288 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 01:07:07,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 01:07:07,288 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,288 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 01:07:07,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,290 - INFO - number of orbitals:  135
-2024-12-09 01:07:07,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:07,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:07,290 - INFO - moving on ...
-2024-12-09 01:07:07,290 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 01:07:07,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,291 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,291 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,291 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 01:07:07,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 01:07:07,292 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 01:07:07,307 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,307 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,307 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 01:07:07,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 01:07:07,307 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,307 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 01:07:07,307 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 01:07:07,307 - INFO - problem_instance short name: ScO_0
-2024-12-09 01:07:07,307 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,308 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 01:07:07,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,309 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,309 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,309 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 01:07:07,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 01:07:07,309 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 01:07:07,323 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,324 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,324 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 01:07:07,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 01:07:07,324 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,324 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 01:07:07,324 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 01:07:07,324 - INFO - problem_instance short name: si_o_0
-2024-12-09 01:07:07,324 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,324 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 01:07:07,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,326 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,326 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,326 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 01:07:07,326 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 01:07:07,326 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 01:07:07,341 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,342 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,342 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 01:07:07,342 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 01:07:07,342 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,342 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 01:07:07,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,343 - INFO - number of orbitals:  114
-2024-12-09 01:07:07,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:07,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:07,344 - INFO - moving on ...
-2024-12-09 01:07:07,344 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 01:07:07,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,345 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,345 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,345 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 01:07:07,345 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 01:07:07,345 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 01:07:07,360 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,360 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,360 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 01:07:07,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 01:07:07,360 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,360 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 01:07:07,360 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 01:07:07,360 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 01:07:07,360 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,360 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 01:07:07,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,362 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,362 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,362 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 01:07:07,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 01:07:07,362 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 01:07:07,376 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,377 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,377 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 01:07:07,377 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 01:07:07,377 - INFO - problem_instance short name: be_0
-2024-12-09 01:07:07,377 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,377 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 01:07:07,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,379 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,379 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,379 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 01:07:07,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 01:07:07,379 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 01:07:07,394 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,394 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,394 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 01:07:07,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 01:07:07,394 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,394 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 01:07:07,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,396 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,396 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,396 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 01:07:07,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 01:07:07,396 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 01:07:07,411 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,411 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,411 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 01:07:07,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 01:07:07,411 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,411 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 01:07:07,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,412 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,413 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,413 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 01:07:07,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 01:07:07,413 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 01:07:07,427 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,428 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,428 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 01:07:07,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 01:07:07,428 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,428 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 01:07:07,428 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 01:07:07,428 - INFO - problem_instance short name: li_h_0
-2024-12-09 01:07:07,428 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,428 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 01:07:07,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,430 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,430 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 01:07:07,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 01:07:07,430 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 01:07:07,444 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,445 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,445 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 01:07:07,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 01:07:07,445 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,445 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 01:07:07,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,447 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,447 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 01:07:07,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 01:07:07,447 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 01:07:07,461 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,462 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,462 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 01:07:07,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 01:07:07,462 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,462 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 01:07:07,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,464 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,464 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,464 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 01:07:07,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 01:07:07,464 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 01:07:07,478 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,479 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,479 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 01:07:07,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 01:07:07,479 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,479 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 01:07:07,479 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 01:07:07,479 - INFO - problem_instance short name: fe_red
-2024-12-09 01:07:07,479 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,479 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 01:07:07,479 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,479 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,479 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,481 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,481 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,481 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 01:07:07,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 01:07:07,481 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 01:07:07,496 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,496 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,496 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 01:07:07,496 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,496 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,496 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,498 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,498 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,498 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 01:07:07,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 01:07:07,499 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 01:07:07,513 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,513 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,513 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 01:07:07,513 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,514 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,514 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,515 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,515 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,516 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 01:07:07,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 01:07:07,516 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 01:07:07,530 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,530 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,530 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 01:07:07,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,531 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,531 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,532 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,533 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,533 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 01:07:07,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 01:07:07,533 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 01:07:07,547 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,548 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,548 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 01:07:07,548 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,548 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,548 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,550 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,550 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,550 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 01:07:07,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 01:07:07,550 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 01:07:07,565 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,565 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,565 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 01:07:07,565 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,567 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,567 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,567 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 01:07:07,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 01:07:07,567 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 01:07:07,582 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,583 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,583 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 01:07:07,583 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,583 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,583 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,585 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,585 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,585 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 01:07:07,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 01:07:07,585 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 01:07:07,600 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,600 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,600 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 01:07:07,600 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,601 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,601 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,603 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,603 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,603 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 01:07:07,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 01:07:07,603 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 01:07:07,617 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,618 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,618 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 01:07:07,618 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,618 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,618 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,619 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,620 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,620 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,620 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 01:07:07,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 01:07:07,620 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 01:07:07,635 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,635 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,635 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 01:07:07,635 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 01:07:07,635 - INFO - problem_instance short name: n2_0
-2024-12-09 01:07:07,635 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,635 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 01:07:07,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,637 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,637 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,637 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 01:07:07,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 01:07:07,637 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 01:07:07,652 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,652 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,652 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 01:07:07,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 01:07:07,652 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,652 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 01:07:07,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,653 - INFO - number of orbitals:  110
-2024-12-09 01:07:07,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 01:07:07,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:07,654 - INFO - moving on ...
-2024-12-09 01:07:07,654 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 01:07:07,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,655 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,655 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,655 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 01:07:07,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 01:07:07,655 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 01:07:07,673 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,673 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,673 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 01:07:07,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 01:07:07,673 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,674 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 01:07:07,674 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 01:07:07,674 - INFO - problem_instance short name: FeO_0
-2024-12-09 01:07:07,674 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,674 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 01:07:07,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,675 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,675 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,675 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 01:07:07,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 01:07:07,675 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 01:07:07,690 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,690 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,690 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 01:07:07,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 01:07:07,690 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,690 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 01:07:07,691 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 01:07:07,691 - INFO - problem_instance short name: s_o2_0
-2024-12-09 01:07:07,691 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,691 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 01:07:07,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,692 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,692 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,692 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 01:07:07,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 01:07:07,692 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 01:07:07,707 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,707 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,708 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 01:07:07,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 01:07:07,708 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,708 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 01:07:07,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,709 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,709 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,709 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-09 01:07:07,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
-2024-12-09 01:07:07,709 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
-2024-12-09 01:07:07,724 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,724 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,724 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
-2024-12-09 01:07:07,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
-2024-12-09 01:07:07,725 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,725 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 01:07:07,725 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 01:07:07,725 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 01:07:07,725 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,725 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 01:07:07,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,726 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,726 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,726 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 01:07:07,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 01:07:07,727 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 01:07:07,741 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,742 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,742 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 01:07:07,742 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 01:07:07,742 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,742 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 01:07:07,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,744 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,744 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,744 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 01:07:07,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 01:07:07,745 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 01:07:07,765 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,766 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,766 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 01:07:07,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 01:07:07,766 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,766 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 01:07:07,766 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 01:07:07,766 - INFO - problem_instance short name: CuO_0
-2024-12-09 01:07:07,766 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,766 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 01:07:07,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,768 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,769 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,769 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 01:07:07,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 01:07:07,769 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 01:07:07,787 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,787 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,787 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 01:07:07,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 01:07:07,787 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,787 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 01:07:07,788 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 01:07:07,788 - INFO - problem_instance short name: ScO_0
-2024-12-09 01:07:07,788 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,788 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 01:07:07,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,789 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,789 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,789 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 01:07:07,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 01:07:07,789 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 01:07:07,804 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,804 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,804 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 01:07:07,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 01:07:07,805 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,805 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 01:07:07,805 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 01:07:07,805 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 01:07:07,805 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,805 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 01:07:07,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,806 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,806 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,806 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 01:07:07,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 01:07:07,806 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 01:07:07,821 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,821 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,822 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 01:07:07,822 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 01:07:07,822 - INFO - problem_instance short name: FeO_0
-2024-12-09 01:07:07,822 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,822 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 01:07:07,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,823 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,823 - INFO - number of supporting files: 2
-2024-12-09 01:07:07,823 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 01:07:07,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 01:07:07,823 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 01:07:07,838 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,839 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,839 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 01:07:07,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 01:07:07,839 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:07,839 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 01:07:07,840 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 01:07:07,840 - INFO - problem_instance short name: blue_dimer
-2024-12-09 01:07:07,840 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 01:07:07,840 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 01:07:07,840 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,840 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,840 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,842 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,842 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,842 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 01:07:07,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 01:07:07,842 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 01:07:07,858 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,858 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,858 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 01:07:07,858 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,858 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,858 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,861 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,861 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,861 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 01:07:07,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 01:07:07,861 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 01:07:07,876 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,877 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,877 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 01:07:07,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,879 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,879 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,879 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 01:07:07,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 01:07:07,879 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 01:07:07,894 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,894 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,894 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 01:07:07,894 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,894 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,894 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,896 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,896 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,896 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 01:07:07,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 01:07:07,896 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 01:07:07,911 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,911 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,911 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 01:07:07,912 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,912 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,912 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,914 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,914 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,914 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 01:07:07,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 01:07:07,914 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 01:07:07,928 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,929 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,929 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 01:07:07,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,929 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,931 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,931 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,931 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 01:07:07,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 01:07:07,931 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 01:07:07,946 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,946 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,946 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 01:07:07,946 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,946 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,946 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,948 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,948 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,948 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 01:07:07,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 01:07:07,948 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 01:07:07,963 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,964 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,964 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 01:07:07,964 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,964 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,964 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,966 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,966 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 01:07:07,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 01:07:07,966 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 01:07:07,981 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,982 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,982 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 01:07:07,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:07,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:07,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:07,984 - INFO - number of supporting files: 1
-2024-12-09 01:07:07,984 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 01:07:07,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 01:07:07,984 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 01:07:07,998 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:07,999 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 01:07:07,999 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 01:07:07,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:07,999 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:07,999 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:08,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,001 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,001 - INFO - number of supporting files: 1
-2024-12-09 01:07:08,001 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 01:07:08,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 01:07:08,001 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 01:07:08,016 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,016 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,016 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 01:07:08,016 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:08,016 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:08,016 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:08,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,018 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,018 - INFO - number of supporting files: 1
-2024-12-09 01:07:08,018 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 01:07:08,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 01:07:08,018 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 01:07:08,033 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,034 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,034 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 01:07:08,034 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:08,034 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:08,034 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:08,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,036 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,036 - INFO - number of supporting files: 1
-2024-12-09 01:07:08,036 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 01:07:08,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 01:07:08,036 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 01:07:08,051 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,051 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,051 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 01:07:08,052 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 01:07:08,052 - INFO - problem_instance short name: MnO_0
-2024-12-09 01:07:08,052 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,052 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 01:07:08,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,053 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,053 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 01:07:08,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 01:07:08,053 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 01:07:08,068 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,068 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,068 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 01:07:08,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 01:07:08,068 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,069 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 01:07:08,069 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 01:07:08,069 - INFO - problem_instance short name: p_h3_0
-2024-12-09 01:07:08,069 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,069 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 01:07:08,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,070 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,070 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,070 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 01:07:08,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 01:07:08,070 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 01:07:08,087 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,088 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,088 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 01:07:08,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 01:07:08,088 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,088 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 01:07:08,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,090 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,090 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 01:07:08,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 01:07:08,090 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 01:07:08,107 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,107 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,108 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 01:07:08,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 01:07:08,108 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,108 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 01:07:08,108 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 01:07:08,108 - INFO - problem_instance short name: Cr_0
-2024-12-09 01:07:08,108 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,108 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 01:07:08,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,110 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,110 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,110 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 01:07:08,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 01:07:08,110 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 01:07:08,125 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,125 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,125 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 01:07:08,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 01:07:08,125 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,125 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 01:07:08,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,127 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,127 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,127 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 01:07:08,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 01:07:08,127 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 01:07:08,142 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,143 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,143 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 01:07:08,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 01:07:08,143 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,143 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 01:07:08,143 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 01:07:08,143 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 01:07:08,143 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,143 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 01:07:08,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,145 - INFO - number of supporting files: 1
-2024-12-09 01:07:08,145 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 01:07:08,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 01:07:08,145 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 01:07:08,160 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,160 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,160 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 01:07:08,160 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 01:07:08,160 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 01:07:08,160 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,161 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 01:07:08,162 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,162 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,162 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,162 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 01:07:08,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 01:07:08,162 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 01:07:08,177 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,177 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,178 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 01:07:08,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 01:07:08,178 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,178 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 01:07:08,178 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 01:07:08,178 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 01:07:08,178 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,178 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 01:07:08,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,180 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,180 - INFO - number of supporting files: 1
-2024-12-09 01:07:08,180 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 01:07:08,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 01:07:08,180 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 01:07:08,195 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,195 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,195 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 01:07:08,196 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 01:07:08,196 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 01:07:08,196 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,196 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 01:07:08,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,197 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,197 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,197 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 01:07:08,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 01:07:08,197 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 01:07:08,214 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,214 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,214 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 01:07:08,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 01:07:08,214 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,214 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 01:07:08,214 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 01:07:08,215 - INFO - problem_instance short name: na2_0
-2024-12-09 01:07:08,215 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,215 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 01:07:08,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,216 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,216 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 01:07:08,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 01:07:08,216 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 01:07:08,232 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,232 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,232 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 01:07:08,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 01:07:08,232 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,232 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 01:07:08,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,234 - INFO - number of orbitals:  118
-2024-12-09 01:07:08,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 01:07:08,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:08,234 - INFO - moving on ...
-2024-12-09 01:07:08,234 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 01:07:08,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,235 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,235 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,235 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 01:07:08,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 01:07:08,236 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 01:07:08,252 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,252 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,252 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 01:07:08,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 01:07:08,252 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,252 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 01:07:08,253 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 01:07:08,253 - INFO - problem_instance short name: c_s_0
-2024-12-09 01:07:08,253 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,253 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 01:07:08,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,254 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,254 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,255 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 01:07:08,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 01:07:08,255 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 01:07:08,270 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,271 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,271 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 01:07:08,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 01:07:08,271 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,271 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 01:07:08,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,272 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,272 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 01:07:08,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 01:07:08,272 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 01:07:08,287 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,288 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,288 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 01:07:08,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 01:07:08,288 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,288 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 01:07:08,288 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 01:07:08,288 - INFO - problem_instance short name: Sc_1
-2024-12-09 01:07:08,288 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,288 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 01:07:08,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,290 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,290 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,290 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 01:07:08,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 01:07:08,290 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 01:07:08,305 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,305 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,305 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 01:07:08,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 01:07:08,305 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,305 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 01:07:08,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,307 - INFO - number of orbitals:  135
-2024-12-09 01:07:08,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 01:07:08,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 01:07:08,307 - INFO - moving on ...
-2024-12-09 01:07:08,307 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 01:07:08,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,308 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,308 - INFO - number of supporting files: 2
-2024-12-09 01:07:08,308 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 01:07:08,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 01:07:08,308 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 01:07:08,323 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,324 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,324 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 01:07:08,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 01:07:08,324 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 01:07:08,324 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 01:07:08,324 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 01:07:08,324 - INFO - problem_instance short name: benzene
-2024-12-09 01:07:08,324 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 01:07:08,324 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 01:07:08,324 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:08,324 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:08,324 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:08,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,326 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,326 - INFO - number of supporting files: 1
-2024-12-09 01:07:08,326 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 01:07:08,326 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 01:07:08,326 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 01:07:08,341 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,342 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 01:07:08,342 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 01:07:08,342 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 01:07:08,342 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 01:07:08,342 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 01:07:08,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 01:07:08,344 - INFO - attempting to process the Hamiltonian...
-2024-12-09 01:07:08,344 - INFO - number of supporting files: 1
-2024-12-09 01:07:08,344 - INFO - supporting data file UUID: 96ff0e22-a3ab-49f3-aee9-9a1886cbf850.
-2024-12-09 01:07:08,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz.
-2024-12-09 01:07:08,344 - INFO - assuming FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz is an FCIDUMP file.
-2024-12-09 01:07:08,359 - INFO - number of entries in Hamiltonian_features.csv:  209
-2024-12-09 01:07:08,359 - INFO - did NOT find instance_data_object_uuid 96ff0e22-a3ab-49f3-aee9-9a1886cbf850 in database.
-2024-12-09 01:07:08,359 - INFO - Processing instance_data_object_uuid 96ff0e22-a3ab-49f3-aee9-9a1886cbf850 ...
-2024-12-09 01:07:08,359 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz...
-2024-12-09 01:07:08,364 - INFO - Connected (version 2.0, client 0)
-2024-12-09 01:07:08,892 - INFO - Authentication (publickey) successful!
-2024-12-09 01:07:08,908 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-09 01:07:36,907 - INFO - [chan 0] sftp session closed.
-2024-12-09 01:07:36,907 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-09 01:07:36,907 - INFO - decompressing file FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz...
-2024-12-09 01:07:38,967 - INFO - this script has been running for 111.02 hours.
-2024-12-09 01:07:38,967 - INFO - ===============================================
-2024-12-09 01:07:38,967 - INFO - calculating Hamiltonian features...
-2024-12-09 01:07:38,967 - INFO - reading data from FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850
-2024-12-09 01:07:56,317 - INFO - finished reading FCIDUMP data.
-2024-12-09 01:07:56,318 - INFO - data['NORB']: 108
-2024-12-09 01:07:56,318 - INFO - len(data['H1']): 108
-2024-12-09 01:07:56,318 - INFO - ao2mo.restore...
-2024-12-09 01:07:56,733 - INFO - done.
-2024-12-09 01:07:56,734 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-09 01:07:56,734 - INFO - done.
-2024-12-09 01:07:56,734 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-09 04:33:57,076 - INFO - done.
-2024-12-09 04:33:57,076 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-09 04:41:10,405 - INFO - done.
-2024-12-09 04:41:10,405 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-09 04:42:08,224 - INFO - done.
-2024-12-09 04:42:08,225 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-09 04:42:56,675 - INFO - done.
-2024-12-09 04:42:56,675 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-09 04:42:56,676 - INFO - done.
-2024-12-09 04:42:56,676 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-09 04:42:56,677 - INFO - done.
-2024-12-09 04:43:01,935 - INFO - Hamiltonian features calculation run time (seconds): 12922.967098
-2024-12-09 04:43:01,937 - INFO - wrote df_eigs to file: df_eigs.96ff0e22-a3ab-49f3-aee9-9a1886cbf850.bin
-2024-12-09 04:43:01,937 - INFO - deleting file FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.
-2024-12-09 04:43:01,982 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-09 04:43:01,984 - INFO - this script has been running for 114.61 hours.
-2024-12-09 04:43:01,985 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 04:43:01,985 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 04:43:01,985 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 04:43:01,985 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 04:43:01,985 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 04:43:01,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 04:43:01,986 - INFO - attempting to process the Hamiltonian...
-2024-12-09 04:43:01,986 - INFO - number of supporting files: 2
-2024-12-09 04:43:01,986 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 04:43:01,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 04:43:01,986 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 04:43:02,000 - INFO - number of entries in Hamiltonian_features.csv:  210
-2024-12-09 04:43:02,000 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 04:43:02,000 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 04:43:02,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 04:43:02,001 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 04:43:02,001 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 04:43:02,001 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 04:43:02,001 - INFO - problem_instance short name: cl2_0
-2024-12-09 04:43:02,001 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 04:43:02,001 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 04:43:02,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 04:43:02,002 - INFO - attempting to process the Hamiltonian...
-2024-12-09 04:43:02,002 - INFO - number of supporting files: 2
-2024-12-09 04:43:02,002 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 04:43:02,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 04:43:02,002 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 04:43:02,016 - INFO - number of entries in Hamiltonian_features.csv:  210
-2024-12-09 04:43:02,016 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 04:43:02,016 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 04:43:02,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 04:43:02,017 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 04:43:02,017 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 04:43:02,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 04:43:02,018 - INFO - number of orbitals:  118
-2024-12-09 04:43:02,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 04:43:02,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 04:43:02,018 - INFO - moving on ...
-2024-12-09 04:43:02,018 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 04:43:02,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 04:43:02,019 - INFO - attempting to process the Hamiltonian...
-2024-12-09 04:43:02,019 - INFO - number of supporting files: 2
-2024-12-09 04:43:02,019 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 04:43:02,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 04:43:02,019 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 04:43:02,033 - INFO - number of entries in Hamiltonian_features.csv:  210
-2024-12-09 04:43:02,034 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 04:43:02,034 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 04:43:02,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 04:43:02,034 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 04:43:02,034 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 04:43:02,034 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 04:43:02,034 - INFO - problem_instance short name: li2_0
-2024-12-09 04:43:02,034 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 04:43:02,034 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 04:43:02,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 04:43:02,035 - INFO - attempting to process the Hamiltonian...
-2024-12-09 04:43:02,036 - INFO - number of supporting files: 2
-2024-12-09 04:43:02,036 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 04:43:02,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 04:43:02,036 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 04:43:02,050 - INFO - number of entries in Hamiltonian_features.csv:  210
-2024-12-09 04:43:02,050 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 04:43:02,050 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 04:43:02,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 04:43:02,050 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 04:43:02,050 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 04:43:02,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 04:43:02,052 - INFO - attempting to process the Hamiltonian...
-2024-12-09 04:43:02,052 - INFO - number of supporting files: 2
-2024-12-09 04:43:02,052 - INFO - supporting data file UUID: 6224abe8-831e-4b52-b8d9-8ebac0a35c2b.
-2024-12-09 04:43:02,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz.
-2024-12-09 04:43:02,052 - INFO - assuming fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz is an FCIDUMP file.
-2024-12-09 04:43:02,066 - INFO - number of entries in Hamiltonian_features.csv:  210
-2024-12-09 04:43:02,066 - INFO - did NOT find instance_data_object_uuid 6224abe8-831e-4b52-b8d9-8ebac0a35c2b in database.
-2024-12-09 04:43:02,066 - INFO - Processing instance_data_object_uuid 6224abe8-831e-4b52-b8d9-8ebac0a35c2b ...
-2024-12-09 04:43:02,066 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz...
-2024-12-09 04:43:02,072 - INFO - Connected (version 2.0, client 0)
-2024-12-09 04:43:02,593 - INFO - Authentication (publickey) successful!
-2024-12-09 04:43:02,610 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-09 04:43:36,109 - INFO - [chan 0] sftp session closed.
-2024-12-09 04:43:36,109 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-09 04:43:36,109 - INFO - decompressing file fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz...
-2024-12-09 04:43:38,347 - INFO - this script has been running for 114.62 hours.
-2024-12-09 04:43:38,347 - INFO - ===============================================
-2024-12-09 04:43:38,347 - INFO - calculating Hamiltonian features...
-2024-12-09 04:43:38,347 - INFO - reading data from fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b
-2024-12-09 04:43:57,342 - INFO - finished reading FCIDUMP data.
-2024-12-09 04:43:57,343 - INFO - data['NORB']: 110
-2024-12-09 04:43:57,343 - INFO - len(data['H1']): 110
-2024-12-09 04:43:57,343 - INFO - ao2mo.restore...
-2024-12-09 04:43:57,723 - INFO - done.
-2024-12-09 04:43:57,723 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-09 04:43:57,723 - INFO - done.
-2024-12-09 04:43:57,723 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-09 06:58:15,661 - INFO - done.
-2024-12-09 06:58:15,661 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-09 07:11:14,183 - INFO - done.
-2024-12-09 07:11:14,183 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-09 07:12:57,764 - INFO - done.
-2024-12-09 07:12:57,764 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-09 07:13:56,557 - INFO - done.
-2024-12-09 07:13:56,557 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-09 07:13:56,558 - INFO - done.
-2024-12-09 07:13:56,558 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-09 07:13:56,558 - INFO - done.
-2024-12-09 07:14:05,546 - INFO - Hamiltonian features calculation run time (seconds): 9027.198926
-2024-12-09 07:14:05,546 - INFO - wrote df_eigs to file: df_eigs.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.bin
-2024-12-09 07:14:05,547 - INFO - deleting file fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.
-2024-12-09 07:14:05,620 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-09 07:14:05,623 - INFO - this script has been running for 117.13 hours.
-2024-12-09 07:14:05,623 - INFO - supporting data file UUID: 2c2461b8-9343-4405-a3d5-aadd0a6cdac9.
-2024-12-09 07:14:05,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk.
-2024-12-09 07:14:05,623 - INFO - assuming li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 07:14:05,623 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 07:14:05,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,625 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,626 - INFO - number of supporting files: 2
-2024-12-09 07:14:05,626 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 07:14:05,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 07:14:05,626 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 07:14:05,646 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,647 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,647 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 07:14:05,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 07:14:05,647 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 07:14:05,647 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 07:14:05,647 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 07:14:05,648 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 07:14:05,648 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 07:14:05,648 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 07:14:05,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,650 - INFO - number of supporting files: 2
-2024-12-09 07:14:05,650 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 07:14:05,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 07:14:05,650 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 07:14:05,670 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,670 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,670 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 07:14:05,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 07:14:05,670 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 07:14:05,670 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 07:14:05,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,672 - INFO - number of orbitals:  116
-2024-12-09 07:14:05,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 07:14:05,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 07:14:05,673 - INFO - moving on ...
-2024-12-09 07:14:05,673 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 07:14:05,673 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 07:14:05,673 - INFO - problem_instance short name: be_0
-2024-12-09 07:14:05,673 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 07:14:05,673 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 07:14:05,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,674 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,674 - INFO - number of supporting files: 2
-2024-12-09 07:14:05,674 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 07:14:05,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 07:14:05,674 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 07:14:05,694 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,694 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,694 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 07:14:05,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 07:14:05,694 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 07:14:05,694 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 07:14:05,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,696 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,696 - INFO - number of supporting files: 2
-2024-12-09 07:14:05,696 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 07:14:05,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 07:14:05,696 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 07:14:05,712 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,712 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,712 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 07:14:05,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 07:14:05,712 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 07:14:05,712 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 07:14:05,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,714 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,714 - INFO - number of supporting files: 2
-2024-12-09 07:14:05,714 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 07:14:05,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 07:14:05,714 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 07:14:05,729 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,729 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,729 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 07:14:05,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 07:14:05,729 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 07:14:05,729 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 07:14:05,730 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 07:14:05,730 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 07:14:05,730 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 07:14:05,730 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 07:14:05,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,731 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,731 - INFO - number of supporting files: 1
-2024-12-09 07:14:05,731 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 07:14:05,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 07:14:05,731 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 07:14:05,746 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,746 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,746 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 07:14:05,746 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 07:14:05,746 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 07:14:05,746 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 07:14:05,746 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 07:14:05,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,748 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,748 - INFO - number of supporting files: 1
-2024-12-09 07:14:05,748 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 07:14:05,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 07:14:05,748 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 07:14:05,762 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,762 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,763 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 07:14:05,763 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 07:14:05,763 - INFO - problem_instance short name: na_cl_0
-2024-12-09 07:14:05,763 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 07:14:05,763 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 07:14:05,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,764 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,764 - INFO - number of supporting files: 2
-2024-12-09 07:14:05,764 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 07:14:05,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 07:14:05,764 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 07:14:05,778 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,779 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,779 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 07:14:05,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 07:14:05,779 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 07:14:05,779 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 07:14:05,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,780 - INFO - number of orbitals:  118
-2024-12-09 07:14:05,781 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 07:14:05,781 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 07:14:05,781 - INFO - moving on ...
-2024-12-09 07:14:05,781 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 07:14:05,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,782 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,782 - INFO - number of supporting files: 2
-2024-12-09 07:14:05,782 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 07:14:05,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 07:14:05,782 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 07:14:05,798 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,799 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,799 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 07:14:05,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 07:14:05,799 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 07:14:05,799 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 07:14:05,799 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 07:14:05,799 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 07:14:05,799 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 07:14:05,799 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 07:14:05,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,801 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,801 - INFO - number of supporting files: 2
-2024-12-09 07:14:05,801 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 07:14:05,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 07:14:05,802 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 07:14:05,823 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,823 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 07:14:05,823 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 07:14:05,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 07:14:05,823 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 07:14:05,823 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 07:14:05,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 07:14:05,825 - INFO - attempting to process the Hamiltonian...
-2024-12-09 07:14:05,825 - INFO - number of supporting files: 2
-2024-12-09 07:14:05,825 - INFO - supporting data file UUID: a53ae008-4ad2-4736-9a57-cfc011e3aace.
-2024-12-09 07:14:05,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz.
-2024-12-09 07:14:05,826 - INFO - assuming fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz is an FCIDUMP file.
-2024-12-09 07:14:05,841 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 07:14:05,841 - INFO - did NOT find instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace in database.
-2024-12-09 07:14:05,841 - INFO - Processing instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace ...
-2024-12-09 07:14:05,841 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
-2024-12-09 07:14:05,846 - INFO - Connected (version 2.0, client 0)
-2024-12-09 07:14:06,371 - INFO - Authentication (publickey) successful!
-2024-12-09 07:14:06,385 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-09 07:21:09,174 - INFO - [chan 0] sftp session closed.
-2024-12-09 07:21:09,174 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-09 07:21:09,175 - INFO - decompressing file fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
-2024-12-09 07:21:17,239 - INFO - this script has been running for 117.25 hours.
-2024-12-09 07:21:17,239 - INFO - ===============================================
-2024-12-09 07:21:17,239 - INFO - calculating Hamiltonian features...
-2024-12-09 07:21:17,239 - INFO - reading data from fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace
-2024-12-09 07:22:26,970 - INFO - finished reading FCIDUMP data.
-2024-12-09 07:22:26,970 - INFO - data['NORB']: 106
-2024-12-09 07:22:26,970 - INFO - len(data['H1']): 106
-2024-12-09 07:22:26,971 - INFO - ao2mo.restore...
-2024-12-09 07:22:27,293 - INFO - done.
-2024-12-09 07:22:27,293 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-09 07:22:27,293 - INFO - done.
-2024-12-09 07:22:27,293 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-09 10:29:15,195 - INFO - ===============================================
-2024-12-09 10:29:15,198 - INFO - overall start time: 2024-12-09 10:29:15.195283
-2024-12-09 10:29:15,198 - INFO - input directory: ../problem_instances/
-2024-12-09 10:29:15,198 - INFO - Hamiltonian features file: Hamiltonian_features.csv
-2024-12-09 10:29:15,198 - INFO - creating back up file Hamiltonian_features.csv.backup-2024-12-09-10-29.csv.
-2024-12-09 10:29:15,229 - INFO - parsing 82 files in the input directory
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:15,245 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:15,246 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:15,246 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:15,246 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,246 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:15,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,253 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,253 - INFO - moving on ...
-2024-12-09 10:29:15,253 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:15,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,254 - INFO - number of orbitals:  118
-2024-12-09 10:29:15,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,254 - INFO - moving on ...
-2024-12-09 10:29:15,254 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:15,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,256 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,256 - INFO - moving on ...
-2024-12-09 10:29:15,256 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:15,257 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:15,257 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:15,257 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,257 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:15,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,258 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,258 - INFO - moving on ...
-2024-12-09 10:29:15,258 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:15,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,260 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,260 - INFO - moving on ...
-2024-12-09 10:29:15,260 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:15,261 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:15,261 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:15,261 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,261 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:15,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,262 - INFO - number of orbitals:  66
-2024-12-09 10:29:15,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,262 - INFO - moving on ...
-2024-12-09 10:29:15,262 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:15,264 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:15,264 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:15,264 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,264 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:15,264 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,264 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,264 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,271 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,271 - INFO - moving on ...
-2024-12-09 10:29:15,271 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:15,271 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,271 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,274 - INFO - number of orbitals:  22
-2024-12-09 10:29:15,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,274 - INFO - moving on ...
-2024-12-09 10:29:15,274 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:15,274 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,274 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,274 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,277 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,277 - INFO - moving on ...
-2024-12-09 10:29:15,277 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:15,277 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,277 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,277 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,279 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,279 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,279 - INFO - moving on ...
-2024-12-09 10:29:15,279 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:15,279 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,280 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,280 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,281 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,281 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,281 - INFO - moving on ...
-2024-12-09 10:29:15,281 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:15,282 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,282 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,282 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,283 - INFO - number of orbitals:  22
-2024-12-09 10:29:15,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,283 - INFO - moving on ...
-2024-12-09 10:29:15,283 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:15,283 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,284 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,285 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,285 - INFO - moving on ...
-2024-12-09 10:29:15,285 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:15,285 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,285 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,285 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,287 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,287 - INFO - moving on ...
-2024-12-09 10:29:15,287 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:15,287 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,287 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,287 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,289 - INFO - number of orbitals:  19
-2024-12-09 10:29:15,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,289 - INFO - moving on ...
-2024-12-09 10:29:15,289 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:15,289 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,289 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,289 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,291 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,291 - INFO - moving on ...
-2024-12-09 10:29:15,291 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:15,291 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,291 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,291 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,293 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,293 - INFO - moving on ...
-2024-12-09 10:29:15,293 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:15,293 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,293 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,293 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,295 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,295 - INFO - moving on ...
-2024-12-09 10:29:15,295 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:15,296 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:15,296 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:15,296 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,296 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:15,296 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,297 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,297 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,298 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,298 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,298 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,298 - INFO - moving on ...
-2024-12-09 10:29:15,298 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:15,298 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,299 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,299 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,300 - INFO - number of orbitals:  108
-2024-12-09 10:29:15,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,300 - INFO - moving on ...
-2024-12-09 10:29:15,300 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:15,301 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:15,301 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:15,301 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,301 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:15,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,303 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,303 - INFO - moving on ...
-2024-12-09 10:29:15,303 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:15,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,304 - INFO - number of orbitals:  135
-2024-12-09 10:29:15,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,304 - INFO - moving on ...
-2024-12-09 10:29:15,305 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:15,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,306 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,306 - INFO - moving on ...
-2024-12-09 10:29:15,306 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:15,307 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:15,307 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:15,307 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,307 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:15,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,309 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,309 - INFO - moving on ...
-2024-12-09 10:29:15,309 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:15,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,310 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,310 - INFO - moving on ...
-2024-12-09 10:29:15,310 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:15,312 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:15,312 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:15,312 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,312 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:15,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,313 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,313 - INFO - moving on ...
-2024-12-09 10:29:15,313 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:15,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,314 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,314 - INFO - moving on ...
-2024-12-09 10:29:15,314 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:15,315 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:15,315 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:15,316 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,316 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:15,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,317 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,317 - INFO - moving on ...
-2024-12-09 10:29:15,317 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:15,318 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:15,318 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:15,318 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,318 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:15,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,319 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,319 - INFO - moving on ...
-2024-12-09 10:29:15,319 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:15,320 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:15,320 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:15,321 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,321 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:15,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,322 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,322 - INFO - moving on ...
-2024-12-09 10:29:15,322 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:15,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,323 - INFO - number of orbitals:  118
-2024-12-09 10:29:15,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,323 - INFO - moving on ...
-2024-12-09 10:29:15,323 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:15,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,324 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,325 - INFO - moving on ...
-2024-12-09 10:29:15,325 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:15,327 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:15,327 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:15,327 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,327 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:15,327 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,327 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,327 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,328 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,329 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,329 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:15,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:15,329 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:15,350 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,350 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,350 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:15,350 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,351 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,351 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,353 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,353 - INFO - moving on ...
-2024-12-09 10:29:15,353 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:15,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,355 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,355 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,355 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:15,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:15,355 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:15,371 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,371 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,371 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:15,371 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,371 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,371 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,373 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,373 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,373 - INFO - moving on ...
-2024-12-09 10:29:15,373 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:15,373 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,375 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,375 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,375 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:15,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:15,375 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:15,391 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,391 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,391 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:15,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,393 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,393 - INFO - moving on ...
-2024-12-09 10:29:15,393 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:15,393 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,393 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,393 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,395 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,395 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,395 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:15,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:15,395 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:15,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,410 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,410 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:15,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,412 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,412 - INFO - moving on ...
-2024-12-09 10:29:15,412 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:15,414 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:15,414 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:15,414 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,414 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:15,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,415 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,415 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,415 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,415 - INFO - moving on ...
-2024-12-09 10:29:15,415 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:15,416 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:15,416 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:15,416 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,416 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:15,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,417 - INFO - number of orbitals:  33
-2024-12-09 10:29:15,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,418 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,418 - INFO - moving on ...
-2024-12-09 10:29:15,418 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:15,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,419 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,419 - INFO - moving on ...
-2024-12-09 10:29:15,419 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:15,420 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:15,420 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:15,420 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,420 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:15,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,421 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,421 - INFO - moving on ...
-2024-12-09 10:29:15,421 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:15,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,423 - INFO - number of orbitals:  119
-2024-12-09 10:29:15,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,423 - INFO - moving on ...
-2024-12-09 10:29:15,423 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:15,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,424 - INFO - number of orbitals:  62
-2024-12-09 10:29:15,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,424 - INFO - moving on ...
-2024-12-09 10:29:15,424 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:15,425 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:15,425 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:15,425 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,425 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:15,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,426 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,426 - INFO - moving on ...
-2024-12-09 10:29:15,427 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:15,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,428 - INFO - number of orbitals:  135
-2024-12-09 10:29:15,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,428 - INFO - moving on ...
-2024-12-09 10:29:15,428 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:15,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,429 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,429 - INFO - moving on ...
-2024-12-09 10:29:15,429 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:15,430 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:15,430 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:15,430 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,430 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:15,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,431 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,432 - INFO - moving on ...
-2024-12-09 10:29:15,432 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:15,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,433 - INFO - number of orbitals:  118
-2024-12-09 10:29:15,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,433 - INFO - moving on ...
-2024-12-09 10:29:15,433 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:15,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,434 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,434 - INFO - moving on ...
-2024-12-09 10:29:15,434 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:15,436 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:15,436 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:15,436 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,436 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:15,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,437 - INFO - number of orbitals:  38
-2024-12-09 10:29:15,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,437 - INFO - moving on ...
-2024-12-09 10:29:15,437 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:15,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,438 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,438 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,438 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,438 - INFO - moving on ...
-2024-12-09 10:29:15,438 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:15,440 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:15,440 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:15,440 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,440 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:15,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,441 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,441 - INFO - moving on ...
-2024-12-09 10:29:15,441 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:15,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,442 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,442 - INFO - moving on ...
-2024-12-09 10:29:15,442 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:15,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,443 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,444 - INFO - moving on ...
-2024-12-09 10:29:15,444 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:15,445 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:15,445 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:15,445 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,445 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:15,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,446 - INFO - number of orbitals:  38
-2024-12-09 10:29:15,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,446 - INFO - moving on ...
-2024-12-09 10:29:15,446 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:15,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,447 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,447 - INFO - moving on ...
-2024-12-09 10:29:15,447 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:15,449 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:15,449 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:15,449 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,449 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:15,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,450 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,450 - INFO - moving on ...
-2024-12-09 10:29:15,450 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:15,452 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:15,452 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:15,452 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,452 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:15,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,453 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,453 - INFO - moving on ...
-2024-12-09 10:29:15,453 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:15,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,454 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,454 - INFO - moving on ...
-2024-12-09 10:29:15,454 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:15,455 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:15,455 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:15,455 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,455 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:15,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,457 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,457 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,457 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:15,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:15,457 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:15,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,473 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,473 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:15,475 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:15,475 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:15,475 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,475 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:15,475 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,475 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,475 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,477 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,477 - INFO - moving on ...
-2024-12-09 10:29:15,477 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:15,477 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,478 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,478 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,480 - INFO - number of orbitals:  46
-2024-12-09 10:29:15,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,480 - INFO - moving on ...
-2024-12-09 10:29:15,480 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:15,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,482 - INFO - number of orbitals:  46
-2024-12-09 10:29:15,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,482 - INFO - moving on ...
-2024-12-09 10:29:15,482 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:15,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,484 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,484 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,484 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,484 - INFO - moving on ...
-2024-12-09 10:29:15,484 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:15,486 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:15,486 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:15,486 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,486 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:15,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,488 - INFO - number of orbitals:  19
-2024-12-09 10:29:15,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,488 - INFO - moving on ...
-2024-12-09 10:29:15,488 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:15,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,489 - INFO - number of orbitals:  85
-2024-12-09 10:29:15,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,489 - INFO - moving on ...
-2024-12-09 10:29:15,489 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:15,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,491 - INFO - number of orbitals:  44
-2024-12-09 10:29:15,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,491 - INFO - moving on ...
-2024-12-09 10:29:15,491 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:15,492 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:15,492 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:15,492 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,492 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:15,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,494 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,494 - INFO - moving on ...
-2024-12-09 10:29:15,494 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:15,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,495 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,495 - INFO - moving on ...
-2024-12-09 10:29:15,495 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:15,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,496 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,497 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,497 - INFO - moving on ...
-2024-12-09 10:29:15,497 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:15,498 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:15,498 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:15,498 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,498 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:15,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,499 - INFO - number of orbitals:  19
-2024-12-09 10:29:15,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,499 - INFO - moving on ...
-2024-12-09 10:29:15,499 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:15,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,501 - INFO - number of orbitals:  85
-2024-12-09 10:29:15,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,501 - INFO - moving on ...
-2024-12-09 10:29:15,501 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:15,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,502 - INFO - number of orbitals:  44
-2024-12-09 10:29:15,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,502 - INFO - moving on ...
-2024-12-09 10:29:15,502 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:15,503 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:15,503 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:15,503 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,503 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:15,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,505 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,505 - INFO - moving on ...
-2024-12-09 10:29:15,505 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:15,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,506 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,507 - INFO - moving on ...
-2024-12-09 10:29:15,507 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:15,508 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:15,508 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:15,508 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,508 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:15,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,509 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,509 - INFO - moving on ...
-2024-12-09 10:29:15,509 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:15,511 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:15,511 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:15,511 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,511 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:15,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,513 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,513 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,513 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:15,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:15,513 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:15,528 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,528 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,528 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:15,528 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,528 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,529 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,530 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,530 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,530 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:15,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:15,531 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:15,544 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,545 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,545 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:15,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,547 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,547 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,547 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:15,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:15,547 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:15,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,563 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,563 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:15,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,563 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,563 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,565 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,565 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:15,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:15,565 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:15,581 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,582 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,582 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:15,582 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,582 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,582 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,584 - INFO - number of orbitals:  33
-2024-12-09 10:29:15,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,584 - INFO - moving on ...
-2024-12-09 10:29:15,584 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:15,584 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,584 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,584 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,586 - INFO - number of orbitals:  23
-2024-12-09 10:29:15,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,586 - INFO - moving on ...
-2024-12-09 10:29:15,586 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:15,586 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,586 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,586 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,588 - INFO - number of orbitals:  45
-2024-12-09 10:29:15,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,588 - INFO - moving on ...
-2024-12-09 10:29:15,588 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:15,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,588 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,588 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,590 - INFO - number of orbitals:  21
-2024-12-09 10:29:15,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,590 - INFO - moving on ...
-2024-12-09 10:29:15,590 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:15,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,592 - INFO - number of orbitals:  42
-2024-12-09 10:29:15,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,592 - INFO - moving on ...
-2024-12-09 10:29:15,592 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:15,593 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:15,593 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:15,593 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,594 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:15,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,595 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,595 - INFO - moving on ...
-2024-12-09 10:29:15,595 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:15,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,596 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,597 - INFO - moving on ...
-2024-12-09 10:29:15,597 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:15,598 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:15,598 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:15,598 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,598 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:15,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,599 - INFO - number of orbitals:  29
-2024-12-09 10:29:15,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,599 - INFO - moving on ...
-2024-12-09 10:29:15,599 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:15,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,600 - INFO - number of orbitals:  72
-2024-12-09 10:29:15,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,600 - INFO - moving on ...
-2024-12-09 10:29:15,600 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:15,601 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:15,601 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:15,601 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,602 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:15,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,603 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,603 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,603 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:15,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:15,603 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:15,620 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,621 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,621 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:15,622 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:15,622 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:15,622 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,622 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:15,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,623 - INFO - number of orbitals:  48
-2024-12-09 10:29:15,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,624 - INFO - moving on ...
-2024-12-09 10:29:15,624 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:15,624 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:15,624 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:15,624 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,624 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:15,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,626 - INFO - number of orbitals:  48
-2024-12-09 10:29:15,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,626 - INFO - moving on ...
-2024-12-09 10:29:15,626 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:15,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,627 - INFO - number of orbitals:  116
-2024-12-09 10:29:15,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,627 - INFO - moving on ...
-2024-12-09 10:29:15,627 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:15,628 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:15,628 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:15,628 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,628 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:15,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,630 - INFO - number of orbitals:  22
-2024-12-09 10:29:15,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,630 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,630 - INFO - moving on ...
-2024-12-09 10:29:15,630 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:15,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,631 - INFO - number of orbitals:  79
-2024-12-09 10:29:15,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,631 - INFO - moving on ...
-2024-12-09 10:29:15,631 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:15,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,633 - INFO - number of orbitals:  45
-2024-12-09 10:29:15,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,633 - INFO - moving on ...
-2024-12-09 10:29:15,633 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:15,634 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:15,634 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:15,634 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,634 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:15,634 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,634 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,634 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,636 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,636 - INFO - moving on ...
-2024-12-09 10:29:15,636 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:15,636 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,636 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,636 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,638 - INFO - number of orbitals:  26
-2024-12-09 10:29:15,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,638 - INFO - moving on ...
-2024-12-09 10:29:15,638 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:15,638 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,638 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,638 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,640 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,640 - INFO - moving on ...
-2024-12-09 10:29:15,640 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:15,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,641 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,642 - INFO - moving on ...
-2024-12-09 10:29:15,642 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:15,642 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,642 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,642 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,643 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,644 - INFO - moving on ...
-2024-12-09 10:29:15,644 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:15,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,644 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,645 - INFO - number of orbitals:  26
-2024-12-09 10:29:15,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,645 - INFO - moving on ...
-2024-12-09 10:29:15,646 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:15,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,646 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,647 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,647 - INFO - moving on ...
-2024-12-09 10:29:15,647 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:15,647 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,647 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,649 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,649 - INFO - moving on ...
-2024-12-09 10:29:15,649 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:15,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,649 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,649 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,651 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,651 - INFO - moving on ...
-2024-12-09 10:29:15,651 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:15,651 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,651 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,651 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,653 - INFO - number of orbitals:  26
-2024-12-09 10:29:15,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,653 - INFO - moving on ...
-2024-12-09 10:29:15,653 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:15,653 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,653 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,653 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,655 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,655 - INFO - moving on ...
-2024-12-09 10:29:15,655 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:15,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,657 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,657 - INFO - moving on ...
-2024-12-09 10:29:15,657 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:15,658 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:15,658 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:15,658 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,658 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:15,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,659 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,659 - INFO - number of supporting files: 2
-2024-12-09 10:29:15,659 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:15,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:15,659 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:15,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,676 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,676 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:15,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:15,676 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:15,676 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:15,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,677 - INFO - number of orbitals:  55
-2024-12-09 10:29:15,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,677 - INFO - moving on ...
-2024-12-09 10:29:15,677 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:15,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,679 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,679 - INFO - moving on ...
-2024-12-09 10:29:15,679 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:15,680 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:15,680 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:15,681 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,681 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:15,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,682 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,682 - INFO - moving on ...
-2024-12-09 10:29:15,682 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:15,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,683 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,683 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,683 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,683 - INFO - moving on ...
-2024-12-09 10:29:15,683 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:15,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,685 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,685 - INFO - moving on ...
-2024-12-09 10:29:15,685 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:15,686 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:15,686 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:15,686 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,686 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:15,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,687 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,687 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,687 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,687 - INFO - moving on ...
-2024-12-09 10:29:15,687 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:15,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,689 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,689 - INFO - moving on ...
-2024-12-09 10:29:15,689 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:15,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,690 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,690 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,690 - INFO - moving on ...
-2024-12-09 10:29:15,690 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:15,692 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:15,692 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:15,692 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,692 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:15,692 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,692 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,692 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,693 - INFO - number of orbitals:  45
-2024-12-09 10:29:15,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,694 - INFO - moving on ...
-2024-12-09 10:29:15,694 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:15,694 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,694 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,694 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,696 - INFO - number of orbitals:  53
-2024-12-09 10:29:15,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,696 - INFO - moving on ...
-2024-12-09 10:29:15,696 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:15,696 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,696 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,696 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,698 - INFO - number of orbitals:  58
-2024-12-09 10:29:15,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,698 - INFO - moving on ...
-2024-12-09 10:29:15,698 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:15,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,699 - INFO - number of orbitals:  44
-2024-12-09 10:29:15,700 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,700 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,700 - INFO - moving on ...
-2024-12-09 10:29:15,700 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:15,700 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,701 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,701 - INFO - moving on ...
-2024-12-09 10:29:15,702 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:15,702 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,703 - INFO - number of orbitals:  55
-2024-12-09 10:29:15,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,703 - INFO - moving on ...
-2024-12-09 10:29:15,703 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:15,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,704 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,704 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,705 - INFO - number of orbitals:  44
-2024-12-09 10:29:15,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,705 - INFO - moving on ...
-2024-12-09 10:29:15,705 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:15,706 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,706 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,706 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,707 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,707 - INFO - moving on ...
-2024-12-09 10:29:15,707 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:15,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,709 - INFO - number of orbitals:  55
-2024-12-09 10:29:15,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,709 - INFO - moving on ...
-2024-12-09 10:29:15,710 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:15,711 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:15,711 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:15,711 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,711 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:15,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,713 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,713 - INFO - moving on ...
-2024-12-09 10:29:15,713 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:15,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,715 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,715 - INFO - moving on ...
-2024-12-09 10:29:15,715 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:15,716 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:15,716 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:15,716 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,716 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:15,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,718 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,718 - INFO - moving on ...
-2024-12-09 10:29:15,718 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:15,718 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:15,719 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:15,719 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,719 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:15,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,720 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,720 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,720 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,720 - INFO - moving on ...
-2024-12-09 10:29:15,720 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:15,721 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:15,721 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:15,721 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,721 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:15,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,722 - INFO - number of orbitals:  33
-2024-12-09 10:29:15,722 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,722 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,722 - INFO - moving on ...
-2024-12-09 10:29:15,722 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:15,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,724 - INFO - number of orbitals:  74
-2024-12-09 10:29:15,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,724 - INFO - moving on ...
-2024-12-09 10:29:15,724 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:15,725 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:15,725 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:15,725 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,725 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:15,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,726 - INFO - number of orbitals:  38
-2024-12-09 10:29:15,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,726 - INFO - moving on ...
-2024-12-09 10:29:15,726 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:15,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,727 - INFO - number of orbitals:  90
-2024-12-09 10:29:15,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,727 - INFO - moving on ...
-2024-12-09 10:29:15,727 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:15,728 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:15,728 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:15,728 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,728 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:15,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,730 - INFO - number of orbitals:  69
-2024-12-09 10:29:15,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,730 - INFO - moving on ...
-2024-12-09 10:29:15,730 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:15,731 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:15,731 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:15,731 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,731 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:15,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,732 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,732 - INFO - moving on ...
-2024-12-09 10:29:15,732 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:15,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,733 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,734 - INFO - moving on ...
-2024-12-09 10:29:15,734 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:15,734 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:15,735 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:15,735 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,735 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:15,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,736 - INFO - number of orbitals:  47
-2024-12-09 10:29:15,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,736 - INFO - moving on ...
-2024-12-09 10:29:15,736 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:15,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,737 - INFO - number of orbitals:  106
-2024-12-09 10:29:15,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,737 - INFO - moving on ...
-2024-12-09 10:29:15,738 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:15,738 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:15,738 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:15,738 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,738 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:15,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,740 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,740 - INFO - moving on ...
-2024-12-09 10:29:15,740 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:15,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,741 - INFO - number of orbitals:  118
-2024-12-09 10:29:15,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,741 - INFO - moving on ...
-2024-12-09 10:29:15,741 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:15,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,742 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,743 - INFO - moving on ...
-2024-12-09 10:29:15,743 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:15,745 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:15,745 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:15,745 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,745 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:15,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,746 - INFO - number of orbitals:  32
-2024-12-09 10:29:15,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,746 - INFO - moving on ...
-2024-12-09 10:29:15,746 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:15,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,748 - INFO - number of orbitals:  114
-2024-12-09 10:29:15,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,748 - INFO - moving on ...
-2024-12-09 10:29:15,748 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:15,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,749 - INFO - number of orbitals:  64
-2024-12-09 10:29:15,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,749 - INFO - moving on ...
-2024-12-09 10:29:15,749 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:15,750 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:15,750 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:15,750 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,750 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:15,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,751 - INFO - number of orbitals:  24
-2024-12-09 10:29:15,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,751 - INFO - moving on ...
-2024-12-09 10:29:15,751 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:15,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,753 - INFO - number of orbitals:  115
-2024-12-09 10:29:15,753 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,753 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,753 - INFO - moving on ...
-2024-12-09 10:29:15,753 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:15,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,754 - INFO - number of orbitals:  58
-2024-12-09 10:29:15,754 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,754 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,754 - INFO - moving on ...
-2024-12-09 10:29:15,754 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:15,756 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:15,756 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:15,756 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,756 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:15,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,757 - INFO - number of orbitals:  37
-2024-12-09 10:29:15,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,757 - INFO - moving on ...
-2024-12-09 10:29:15,757 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:15,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,758 - INFO - number of orbitals:  78
-2024-12-09 10:29:15,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,759 - INFO - moving on ...
-2024-12-09 10:29:15,759 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:15,760 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:15,760 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:15,760 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,760 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:15,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,761 - INFO - number of orbitals:  58
-2024-12-09 10:29:15,761 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,761 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,761 - INFO - moving on ...
-2024-12-09 10:29:15,761 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:15,762 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:15,762 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:15,762 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,762 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:15,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,763 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,763 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,763 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:15,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:15,763 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:15,780 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,780 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,780 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:15,781 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:15,782 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:15,782 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,782 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:15,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,783 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,783 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,783 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,783 - INFO - moving on ...
-2024-12-09 10:29:15,783 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:15,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,785 - INFO - number of orbitals:  86
-2024-12-09 10:29:15,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,785 - INFO - moving on ...
-2024-12-09 10:29:15,785 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:15,786 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:15,786 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:15,786 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,786 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:15,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,788 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,788 - INFO - moving on ...
-2024-12-09 10:29:15,788 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:15,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,789 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,790 - INFO - moving on ...
-2024-12-09 10:29:15,790 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:15,790 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:15,790 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:15,791 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,791 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:15,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,792 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,792 - INFO - moving on ...
-2024-12-09 10:29:15,792 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:15,793 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:15,793 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:15,793 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,793 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:15,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,794 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,795 - INFO - moving on ...
-2024-12-09 10:29:15,795 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:15,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,796 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,796 - INFO - moving on ...
-2024-12-09 10:29:15,796 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:15,797 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:15,797 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:15,797 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,797 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:15,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,798 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,798 - INFO - moving on ...
-2024-12-09 10:29:15,798 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:15,799 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:15,799 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:15,799 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,799 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:15,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,801 - INFO - number of orbitals:  69
-2024-12-09 10:29:15,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,801 - INFO - moving on ...
-2024-12-09 10:29:15,801 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:15,802 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:15,802 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:15,802 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,802 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:15,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,803 - INFO - number of orbitals:  48
-2024-12-09 10:29:15,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,804 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,804 - INFO - moving on ...
-2024-12-09 10:29:15,804 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:15,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,805 - INFO - number of orbitals:  116
-2024-12-09 10:29:15,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,805 - INFO - moving on ...
-2024-12-09 10:29:15,805 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:15,806 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:15,806 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:15,806 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,806 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:15,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,807 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,807 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,807 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,807 - INFO - moving on ...
-2024-12-09 10:29:15,807 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:15,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,809 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,809 - INFO - moving on ...
-2024-12-09 10:29:15,809 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:15,810 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:15,810 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:15,810 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,810 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:15,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,811 - INFO - number of orbitals:  38
-2024-12-09 10:29:15,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,811 - INFO - moving on ...
-2024-12-09 10:29:15,811 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:15,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,812 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,812 - INFO - moving on ...
-2024-12-09 10:29:15,812 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:15,813 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:15,814 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:15,814 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,814 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:15,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,815 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,815 - INFO - moving on ...
-2024-12-09 10:29:15,815 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:15,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,816 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,816 - INFO - moving on ...
-2024-12-09 10:29:15,816 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:15,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,818 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,818 - INFO - moving on ...
-2024-12-09 10:29:15,818 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:15,819 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:15,819 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:15,819 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,819 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:15,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,820 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,820 - INFO - moving on ...
-2024-12-09 10:29:15,820 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:15,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,822 - INFO - number of orbitals:  135
-2024-12-09 10:29:15,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,822 - INFO - moving on ...
-2024-12-09 10:29:15,822 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:15,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,823 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,823 - INFO - moving on ...
-2024-12-09 10:29:15,823 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:15,824 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:15,824 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:15,824 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,824 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:15,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,826 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,826 - INFO - moving on ...
-2024-12-09 10:29:15,826 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:15,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,827 - INFO - number of orbitals:  119
-2024-12-09 10:29:15,827 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,827 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,827 - INFO - moving on ...
-2024-12-09 10:29:15,827 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:15,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,829 - INFO - number of orbitals:  62
-2024-12-09 10:29:15,829 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,829 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,829 - INFO - moving on ...
-2024-12-09 10:29:15,829 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:15,830 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:15,830 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:15,830 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,830 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:15,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,832 - INFO - number of orbitals:  32
-2024-12-09 10:29:15,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,832 - INFO - moving on ...
-2024-12-09 10:29:15,832 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:15,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,833 - INFO - number of orbitals:  64
-2024-12-09 10:29:15,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,833 - INFO - moving on ...
-2024-12-09 10:29:15,833 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:15,834 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:15,834 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:15,834 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,835 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:15,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,836 - INFO - number of orbitals:  52
-2024-12-09 10:29:15,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,836 - INFO - moving on ...
-2024-12-09 10:29:15,836 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:15,837 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:15,837 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:15,837 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,837 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:15,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,839 - INFO - number of orbitals:  23
-2024-12-09 10:29:15,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,839 - INFO - moving on ...
-2024-12-09 10:29:15,839 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:15,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,840 - INFO - number of orbitals:  89
-2024-12-09 10:29:15,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,840 - INFO - moving on ...
-2024-12-09 10:29:15,840 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:15,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,842 - INFO - number of orbitals:  48
-2024-12-09 10:29:15,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,842 - INFO - moving on ...
-2024-12-09 10:29:15,842 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:15,843 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:15,843 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:15,843 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,843 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:15,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,844 - INFO - number of orbitals:  46
-2024-12-09 10:29:15,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,845 - INFO - moving on ...
-2024-12-09 10:29:15,845 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:15,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,846 - INFO - number of orbitals:  94
-2024-12-09 10:29:15,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,846 - INFO - moving on ...
-2024-12-09 10:29:15,846 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:15,847 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:15,847 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:15,847 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,847 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:15,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,848 - INFO - number of orbitals:  70
-2024-12-09 10:29:15,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,848 - INFO - moving on ...
-2024-12-09 10:29:15,848 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:15,849 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:15,849 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:15,849 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,850 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:15,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,851 - INFO - number of orbitals:  22
-2024-12-09 10:29:15,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,851 - INFO - moving on ...
-2024-12-09 10:29:15,851 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:15,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,852 - INFO - number of orbitals:  79
-2024-12-09 10:29:15,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,852 - INFO - moving on ...
-2024-12-09 10:29:15,852 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:15,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,853 - INFO - number of orbitals:  45
-2024-12-09 10:29:15,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,853 - INFO - moving on ...
-2024-12-09 10:29:15,853 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:15,855 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:15,855 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:15,855 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,855 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:15,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,855 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,855 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,857 - INFO - number of orbitals:  42
-2024-12-09 10:29:15,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,857 - INFO - moving on ...
-2024-12-09 10:29:15,857 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:15,857 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,857 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,857 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,859 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,859 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,859 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:15,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:15,859 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:15,875 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,875 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,875 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:15,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,875 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,875 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,877 - INFO - number of orbitals:  90
-2024-12-09 10:29:15,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,877 - INFO - moving on ...
-2024-12-09 10:29:15,877 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:15,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,879 - INFO - number of orbitals:  42
-2024-12-09 10:29:15,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,879 - INFO - moving on ...
-2024-12-09 10:29:15,879 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:15,879 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,879 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,879 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,881 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,881 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,881 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:15,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:15,881 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:15,896 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,897 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,897 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:15,897 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,897 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,897 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,899 - INFO - number of orbitals:  90
-2024-12-09 10:29:15,899 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,899 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,899 - INFO - moving on ...
-2024-12-09 10:29:15,899 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:15,900 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:15,901 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:15,901 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,901 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:15,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,902 - INFO - number of orbitals:  24
-2024-12-09 10:29:15,902 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,902 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,902 - INFO - moving on ...
-2024-12-09 10:29:15,902 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:15,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,903 - INFO - number of orbitals:  115
-2024-12-09 10:29:15,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,903 - INFO - moving on ...
-2024-12-09 10:29:15,903 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:15,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,905 - INFO - number of orbitals:  58
-2024-12-09 10:29:15,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,905 - INFO - moving on ...
-2024-12-09 10:29:15,905 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:15,906 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:15,906 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:15,906 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,906 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:15,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,907 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,907 - INFO - moving on ...
-2024-12-09 10:29:15,907 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:15,908 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:15,908 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:15,908 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,908 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:15,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,909 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,909 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,909 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:15,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:15,909 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:15,925 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,926 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,926 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:15,927 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:15,927 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:15,927 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,927 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:15,927 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,927 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,927 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,930 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,930 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:15,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:15,930 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:15,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,947 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,948 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:15,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,950 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,950 - INFO - moving on ...
-2024-12-09 10:29:15,950 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:15,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,950 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,950 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,952 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,952 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:15,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:15,952 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:15,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,969 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,969 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:15,969 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,969 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,969 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,971 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,971 - INFO - moving on ...
-2024-12-09 10:29:15,971 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:15,972 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,972 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,972 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,973 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,974 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,974 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:15,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:15,974 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:15,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,992 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,992 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:15,992 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,992 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,992 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,994 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,994 - INFO - moving on ...
-2024-12-09 10:29:15,995 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:15,997 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:15,997 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:15,997 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,997 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:15,997 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,997 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,997 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,999 - INFO - number of orbitals:  69
-2024-12-09 10:29:15,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,999 - INFO - moving on ...
-2024-12-09 10:29:15,999 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:15,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,999 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,999 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,001 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,001 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,001 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,002 - INFO - moving on ...
-2024-12-09 10:29:16,002 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:16,002 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,002 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,002 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,003 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,003 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,004 - INFO - moving on ...
-2024-12-09 10:29:16,004 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:16,005 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:16,005 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:16,005 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,005 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:16,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,006 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,006 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,006 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,006 - INFO - moving on ...
-2024-12-09 10:29:16,006 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:16,008 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:16,008 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:16,008 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,008 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:16,008 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,008 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,008 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,010 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,010 - INFO - moving on ...
-2024-12-09 10:29:16,010 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:16,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,012 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,012 - INFO - moving on ...
-2024-12-09 10:29:16,012 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:16,012 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,012 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,012 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,014 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,014 - INFO - moving on ...
-2024-12-09 10:29:16,014 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:16,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,016 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,016 - INFO - moving on ...
-2024-12-09 10:29:16,016 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:16,016 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,016 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,016 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,018 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,018 - INFO - moving on ...
-2024-12-09 10:29:16,018 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:16,018 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,018 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,018 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,020 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,020 - INFO - moving on ...
-2024-12-09 10:29:16,020 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:16,020 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,020 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,020 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,022 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,022 - INFO - moving on ...
-2024-12-09 10:29:16,022 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:16,022 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,022 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,022 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,024 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,024 - INFO - moving on ...
-2024-12-09 10:29:16,024 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:16,024 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,024 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,024 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,025 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,026 - INFO - moving on ...
-2024-12-09 10:29:16,026 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:16,026 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,026 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,026 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,027 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,027 - INFO - moving on ...
-2024-12-09 10:29:16,027 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:16,027 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,028 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,028 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,029 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,029 - INFO - moving on ...
-2024-12-09 10:29:16,029 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:16,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,031 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,031 - INFO - moving on ...
-2024-12-09 10:29:16,031 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:16,031 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,031 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,031 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,033 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,033 - INFO - moving on ...
-2024-12-09 10:29:16,033 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:16,033 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,033 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,033 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,035 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,035 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,035 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,035 - INFO - moving on ...
-2024-12-09 10:29:16,035 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:16,035 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,035 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,035 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,036 - INFO - number of orbitals:  25
-2024-12-09 10:29:16,036 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,036 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,036 - INFO - moving on ...
-2024-12-09 10:29:16,037 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:16,037 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,037 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,037 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,038 - INFO - number of orbitals:  39
-2024-12-09 10:29:16,038 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,038 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,038 - INFO - moving on ...
-2024-12-09 10:29:16,038 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:16,040 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:16,040 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:16,040 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,040 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:16,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,041 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,041 - INFO - moving on ...
-2024-12-09 10:29:16,041 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:16,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,043 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,043 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,043 - INFO - moving on ...
-2024-12-09 10:29:16,043 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:16,043 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:16,043 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:16,043 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,043 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:16,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,044 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,044 - INFO - moving on ...
-2024-12-09 10:29:16,044 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:16,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,045 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,046 - INFO - moving on ...
-2024-12-09 10:29:16,046 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:16,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,047 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,047 - INFO - moving on ...
-2024-12-09 10:29:16,047 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:16,047 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:16,047 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:16,047 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,047 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:16,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,048 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,048 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,048 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,048 - INFO - moving on ...
-2024-12-09 10:29:16,048 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:16,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,050 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,050 - INFO - moving on ...
-2024-12-09 10:29:16,050 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:16,050 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:16,050 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:16,050 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,050 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:16,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,051 - INFO - number of orbitals:  66
-2024-12-09 10:29:16,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,051 - INFO - moving on ...
-2024-12-09 10:29:16,051 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:16,052 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:16,052 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:16,052 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,052 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:16,052 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,053 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,054 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:16,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:16,054 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:16,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,070 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,070 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:16,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,072 - INFO - number of orbitals:  22
-2024-12-09 10:29:16,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,072 - INFO - moving on ...
-2024-12-09 10:29:16,072 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:16,072 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,072 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,072 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,074 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,074 - INFO - moving on ...
-2024-12-09 10:29:16,074 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:16,074 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,074 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,074 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,076 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,076 - INFO - moving on ...
-2024-12-09 10:29:16,076 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:16,076 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,076 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,076 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,078 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,078 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,078 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:16,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:16,078 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:16,093 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,094 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,094 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:16,094 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,094 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,094 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,095 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,096 - INFO - number of orbitals:  22
-2024-12-09 10:29:16,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,096 - INFO - moving on ...
-2024-12-09 10:29:16,096 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:16,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,098 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,098 - INFO - moving on ...
-2024-12-09 10:29:16,098 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:16,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,100 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,100 - INFO - moving on ...
-2024-12-09 10:29:16,100 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:16,100 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,100 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,100 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,101 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,101 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:16,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:16,102 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:16,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,117 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,118 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:16,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,119 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,120 - INFO - moving on ...
-2024-12-09 10:29:16,120 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:16,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,121 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,121 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,121 - INFO - moving on ...
-2024-12-09 10:29:16,122 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:16,122 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,122 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,122 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,123 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,123 - INFO - moving on ...
-2024-12-09 10:29:16,123 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:16,123 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:16,124 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:16,124 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,124 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:16,124 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,124 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,124 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,125 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,125 - INFO - moving on ...
-2024-12-09 10:29:16,125 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:16,125 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,126 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,126 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,127 - INFO - number of orbitals:  108
-2024-12-09 10:29:16,127 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,127 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,127 - INFO - moving on ...
-2024-12-09 10:29:16,127 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:16,127 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:16,127 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:16,127 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,128 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:16,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,129 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,129 - INFO - moving on ...
-2024-12-09 10:29:16,129 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:16,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,130 - INFO - number of orbitals:  135
-2024-12-09 10:29:16,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,130 - INFO - moving on ...
-2024-12-09 10:29:16,130 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:16,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,131 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,131 - INFO - moving on ...
-2024-12-09 10:29:16,131 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:16,131 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:16,131 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:16,132 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,132 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:16,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,133 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,133 - INFO - moving on ...
-2024-12-09 10:29:16,133 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:16,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,134 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,134 - INFO - moving on ...
-2024-12-09 10:29:16,134 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:16,134 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:16,134 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:16,134 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,134 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:16,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,136 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,136 - INFO - moving on ...
-2024-12-09 10:29:16,136 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:16,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,137 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,137 - INFO - moving on ...
-2024-12-09 10:29:16,137 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:16,137 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:16,137 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:16,137 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,137 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:16,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,138 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,139 - INFO - moving on ...
-2024-12-09 10:29:16,139 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:16,139 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:16,139 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:16,139 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,139 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:16,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,140 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,140 - INFO - moving on ...
-2024-12-09 10:29:16,140 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:16,140 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:16,140 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:16,140 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,140 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:16,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,142 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,142 - INFO - moving on ...
-2024-12-09 10:29:16,142 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:16,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,143 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,143 - INFO - moving on ...
-2024-12-09 10:29:16,143 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:16,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,144 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,144 - INFO - moving on ...
-2024-12-09 10:29:16,144 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:16,145 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:16,145 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:16,145 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,145 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:16,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,147 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,147 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,147 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:16,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:16,147 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:16,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,163 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,163 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:16,163 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,163 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,163 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,165 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,165 - INFO - moving on ...
-2024-12-09 10:29:16,165 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:16,165 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,168 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,168 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:16,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:16,168 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:16,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,185 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,185 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:16,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,187 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,188 - INFO - moving on ...
-2024-12-09 10:29:16,188 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:16,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,190 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,190 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:16,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:16,190 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:16,206 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,206 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,206 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:16,206 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,206 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,206 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,208 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,208 - INFO - moving on ...
-2024-12-09 10:29:16,208 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:16,208 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,209 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,209 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,210 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,210 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,210 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:16,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:16,211 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:16,226 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,227 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,227 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:16,227 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,227 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,227 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,229 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,229 - INFO - moving on ...
-2024-12-09 10:29:16,229 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:16,229 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:16,230 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:16,230 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,230 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:16,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,231 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,231 - INFO - moving on ...
-2024-12-09 10:29:16,231 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:16,231 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:16,231 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:16,231 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,231 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:16,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,233 - INFO - number of orbitals:  33
-2024-12-09 10:29:16,233 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,233 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,233 - INFO - moving on ...
-2024-12-09 10:29:16,233 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:16,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,234 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,234 - INFO - moving on ...
-2024-12-09 10:29:16,234 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:16,234 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:16,234 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:16,234 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,234 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:16,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,235 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,236 - INFO - moving on ...
-2024-12-09 10:29:16,236 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:16,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,237 - INFO - number of orbitals:  119
-2024-12-09 10:29:16,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,237 - INFO - moving on ...
-2024-12-09 10:29:16,237 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:16,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,238 - INFO - number of orbitals:  62
-2024-12-09 10:29:16,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,238 - INFO - moving on ...
-2024-12-09 10:29:16,238 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:16,238 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:16,238 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:16,238 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,238 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:16,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,240 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,240 - INFO - moving on ...
-2024-12-09 10:29:16,240 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:16,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,241 - INFO - number of orbitals:  135
-2024-12-09 10:29:16,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,241 - INFO - moving on ...
-2024-12-09 10:29:16,241 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:16,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,242 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,243 - INFO - moving on ...
-2024-12-09 10:29:16,243 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:16,243 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:16,243 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:16,243 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,243 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:16,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,244 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,244 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,244 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,244 - INFO - moving on ...
-2024-12-09 10:29:16,244 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:16,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,245 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,245 - INFO - moving on ...
-2024-12-09 10:29:16,245 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:16,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,247 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,247 - INFO - moving on ...
-2024-12-09 10:29:16,247 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:16,247 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:16,247 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:16,247 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,247 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:16,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,248 - INFO - number of orbitals:  38
-2024-12-09 10:29:16,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,248 - INFO - moving on ...
-2024-12-09 10:29:16,248 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:16,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,249 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,250 - INFO - moving on ...
-2024-12-09 10:29:16,250 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:16,250 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:16,250 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:16,250 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,250 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:16,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,251 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,251 - INFO - moving on ...
-2024-12-09 10:29:16,251 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:16,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,252 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,252 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,252 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,253 - INFO - moving on ...
-2024-12-09 10:29:16,253 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:16,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,254 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,254 - INFO - moving on ...
-2024-12-09 10:29:16,254 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:16,254 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:16,254 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:16,254 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,254 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:16,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,255 - INFO - number of orbitals:  38
-2024-12-09 10:29:16,255 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,255 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,255 - INFO - moving on ...
-2024-12-09 10:29:16,255 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:16,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,257 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,257 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,257 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,257 - INFO - moving on ...
-2024-12-09 10:29:16,257 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:16,257 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:16,257 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:16,257 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,257 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:16,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,258 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,258 - INFO - moving on ...
-2024-12-09 10:29:16,258 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:16,259 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:16,259 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:16,259 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,259 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:16,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,260 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,260 - INFO - moving on ...
-2024-12-09 10:29:16,260 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:16,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,261 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,261 - INFO - moving on ...
-2024-12-09 10:29:16,261 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:16,261 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:16,261 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:16,261 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,261 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:16,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,263 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,263 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,263 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:16,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:16,263 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:16,279 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,279 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,279 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:16,279 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:16,280 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:16,280 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,280 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:16,280 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,280 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,280 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,282 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,282 - INFO - moving on ...
-2024-12-09 10:29:16,282 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:16,282 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,282 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,282 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,284 - INFO - number of orbitals:  46
-2024-12-09 10:29:16,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,284 - INFO - moving on ...
-2024-12-09 10:29:16,284 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:16,284 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,284 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,284 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,286 - INFO - number of orbitals:  46
-2024-12-09 10:29:16,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,286 - INFO - moving on ...
-2024-12-09 10:29:16,286 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:16,286 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,286 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,286 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,288 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,288 - INFO - moving on ...
-2024-12-09 10:29:16,288 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:16,288 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:16,288 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:16,288 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,288 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:16,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,289 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,289 - INFO - number of supporting files: 2
-2024-12-09 10:29:16,289 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:16,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:16,289 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:16,304 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,304 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,305 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:16,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:16,305 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:16,305 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:16,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,306 - INFO - number of orbitals:  85
-2024-12-09 10:29:16,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,306 - INFO - moving on ...
-2024-12-09 10:29:16,306 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:16,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,307 - INFO - number of orbitals:  44
-2024-12-09 10:29:16,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,307 - INFO - moving on ...
-2024-12-09 10:29:16,308 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:16,308 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:16,308 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:16,308 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,308 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:16,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,309 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,309 - INFO - moving on ...
-2024-12-09 10:29:16,309 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:16,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,310 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,310 - INFO - moving on ...
-2024-12-09 10:29:16,310 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:16,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,311 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,311 - INFO - moving on ...
-2024-12-09 10:29:16,312 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:16,312 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:16,312 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:16,312 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,312 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:16,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,313 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,313 - INFO - number of supporting files: 2
-2024-12-09 10:29:16,313 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:16,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:16,313 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:16,329 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,329 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,329 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:16,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:16,329 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:16,329 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:16,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,331 - INFO - number of orbitals:  85
-2024-12-09 10:29:16,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,331 - INFO - moving on ...
-2024-12-09 10:29:16,331 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:16,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,332 - INFO - number of orbitals:  44
-2024-12-09 10:29:16,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,332 - INFO - moving on ...
-2024-12-09 10:29:16,332 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:16,333 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:16,333 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:16,333 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,333 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:16,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,334 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,334 - INFO - moving on ...
-2024-12-09 10:29:16,334 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:16,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,336 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,336 - INFO - moving on ...
-2024-12-09 10:29:16,336 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:16,336 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:16,336 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:16,336 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,336 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:16,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,337 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,337 - INFO - moving on ...
-2024-12-09 10:29:16,337 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:16,337 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:16,337 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:16,338 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,338 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:16,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,339 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,339 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,339 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:16,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:16,340 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:16,359 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,360 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,360 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:16,360 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,360 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,360 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,362 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,362 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,362 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:16,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:16,362 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:16,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,378 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,378 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:16,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,380 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,380 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,380 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:16,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:16,380 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:16,396 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,396 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,396 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:16,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,398 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,398 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,398 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:16,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:16,398 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:16,414 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,415 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,415 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:16,415 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,415 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,415 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,417 - INFO - number of orbitals:  33
-2024-12-09 10:29:16,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,417 - INFO - moving on ...
-2024-12-09 10:29:16,417 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:16,417 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,417 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,417 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,419 - INFO - number of orbitals:  23
-2024-12-09 10:29:16,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,419 - INFO - moving on ...
-2024-12-09 10:29:16,419 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:16,419 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,421 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,421 - INFO - moving on ...
-2024-12-09 10:29:16,421 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:16,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,423 - INFO - number of orbitals:  21
-2024-12-09 10:29:16,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,423 - INFO - moving on ...
-2024-12-09 10:29:16,423 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:16,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,425 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,425 - INFO - moving on ...
-2024-12-09 10:29:16,425 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:16,425 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:16,425 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:16,425 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,425 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:16,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,426 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,426 - INFO - moving on ...
-2024-12-09 10:29:16,426 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:16,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,428 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,428 - INFO - moving on ...
-2024-12-09 10:29:16,428 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:16,428 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:16,428 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:16,428 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,428 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:16,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,429 - INFO - number of orbitals:  29
-2024-12-09 10:29:16,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,429 - INFO - moving on ...
-2024-12-09 10:29:16,429 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:16,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,430 - INFO - number of orbitals:  72
-2024-12-09 10:29:16,430 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,430 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,431 - INFO - moving on ...
-2024-12-09 10:29:16,431 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:16,431 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:16,431 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:16,431 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,431 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:16,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,432 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,432 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,432 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:16,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:16,432 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:16,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,448 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,448 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:16,448 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:16,448 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:16,448 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,448 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:16,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,450 - INFO - number of orbitals:  48
-2024-12-09 10:29:16,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,450 - INFO - moving on ...
-2024-12-09 10:29:16,450 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:16,450 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:16,450 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:16,450 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,450 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:16,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,451 - INFO - number of orbitals:  48
-2024-12-09 10:29:16,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,451 - INFO - moving on ...
-2024-12-09 10:29:16,451 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:16,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,452 - INFO - number of orbitals:  116
-2024-12-09 10:29:16,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,452 - INFO - moving on ...
-2024-12-09 10:29:16,453 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:16,453 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:16,453 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:16,453 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,453 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:16,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,454 - INFO - number of orbitals:  22
-2024-12-09 10:29:16,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,454 - INFO - moving on ...
-2024-12-09 10:29:16,454 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:16,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,455 - INFO - number of orbitals:  79
-2024-12-09 10:29:16,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,455 - INFO - moving on ...
-2024-12-09 10:29:16,455 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:16,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,457 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,457 - INFO - moving on ...
-2024-12-09 10:29:16,457 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:16,457 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:16,457 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:16,457 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,457 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:16,457 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,457 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,457 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,459 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,459 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,459 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:16,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:16,459 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:16,475 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,475 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,475 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:16,475 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,475 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,475 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,477 - INFO - number of orbitals:  26
-2024-12-09 10:29:16,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,477 - INFO - moving on ...
-2024-12-09 10:29:16,477 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:16,477 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,478 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,478 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,480 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,480 - INFO - moving on ...
-2024-12-09 10:29:16,480 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:16,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,482 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,482 - INFO - moving on ...
-2024-12-09 10:29:16,482 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:16,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,484 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,484 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,484 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:16,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:16,484 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:16,498 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,499 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,499 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:16,499 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,499 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,499 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,501 - INFO - number of orbitals:  26
-2024-12-09 10:29:16,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,501 - INFO - moving on ...
-2024-12-09 10:29:16,501 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:16,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,503 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,503 - INFO - moving on ...
-2024-12-09 10:29:16,503 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:16,503 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,503 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,503 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,505 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,505 - INFO - moving on ...
-2024-12-09 10:29:16,505 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:16,505 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,505 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,506 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,507 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,507 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:16,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:16,507 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:16,522 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,523 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,523 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:16,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,525 - INFO - number of orbitals:  26
-2024-12-09 10:29:16,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,525 - INFO - moving on ...
-2024-12-09 10:29:16,525 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:16,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,525 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,525 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,527 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,527 - INFO - moving on ...
-2024-12-09 10:29:16,527 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:16,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,529 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,529 - INFO - moving on ...
-2024-12-09 10:29:16,529 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:16,529 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:16,529 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:16,529 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,529 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:16,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,530 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,530 - INFO - number of supporting files: 2
-2024-12-09 10:29:16,530 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:16,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:16,531 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:16,545 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,546 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,546 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:16,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:16,546 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:16,546 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:16,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,547 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,547 - INFO - moving on ...
-2024-12-09 10:29:16,547 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:16,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,548 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,548 - INFO - moving on ...
-2024-12-09 10:29:16,548 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:16,549 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:16,549 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:16,549 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,549 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:16,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,550 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,550 - INFO - moving on ...
-2024-12-09 10:29:16,550 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:16,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,551 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,551 - INFO - moving on ...
-2024-12-09 10:29:16,551 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:16,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,552 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,553 - INFO - moving on ...
-2024-12-09 10:29:16,553 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:16,553 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:16,553 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:16,553 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,553 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:16,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,554 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,554 - INFO - moving on ...
-2024-12-09 10:29:16,554 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:16,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,555 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,555 - INFO - moving on ...
-2024-12-09 10:29:16,555 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:16,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,557 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,557 - INFO - moving on ...
-2024-12-09 10:29:16,557 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:16,557 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:16,557 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:16,557 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,557 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:16,557 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,559 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,559 - INFO - moving on ...
-2024-12-09 10:29:16,559 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:16,559 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,559 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,559 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,561 - INFO - number of orbitals:  53
-2024-12-09 10:29:16,561 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,561 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,561 - INFO - moving on ...
-2024-12-09 10:29:16,561 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:16,561 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,561 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,561 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,562 - INFO - number of orbitals:  58
-2024-12-09 10:29:16,563 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,563 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,563 - INFO - moving on ...
-2024-12-09 10:29:16,563 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:16,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,563 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,563 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,564 - INFO - number of orbitals:  44
-2024-12-09 10:29:16,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,564 - INFO - moving on ...
-2024-12-09 10:29:16,565 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:16,565 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,566 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,566 - INFO - moving on ...
-2024-12-09 10:29:16,566 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:16,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,568 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,568 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,568 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,568 - INFO - moving on ...
-2024-12-09 10:29:16,568 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:16,568 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,568 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,570 - INFO - number of orbitals:  44
-2024-12-09 10:29:16,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,570 - INFO - moving on ...
-2024-12-09 10:29:16,570 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:16,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,572 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,572 - INFO - moving on ...
-2024-12-09 10:29:16,572 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:16,572 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,572 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,572 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,574 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,574 - INFO - moving on ...
-2024-12-09 10:29:16,574 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:16,574 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:16,574 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:16,574 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,574 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:16,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,575 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,575 - INFO - moving on ...
-2024-12-09 10:29:16,575 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:16,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,576 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,577 - INFO - moving on ...
-2024-12-09 10:29:16,577 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:16,577 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:16,577 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:16,577 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,577 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:16,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,578 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,578 - INFO - moving on ...
-2024-12-09 10:29:16,578 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:16,578 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:16,578 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:16,578 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,578 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:16,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,580 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,580 - INFO - moving on ...
-2024-12-09 10:29:16,580 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:16,580 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:16,580 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:16,580 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,580 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:16,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,581 - INFO - number of orbitals:  33
-2024-12-09 10:29:16,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,581 - INFO - moving on ...
-2024-12-09 10:29:16,581 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:16,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,582 - INFO - number of orbitals:  74
-2024-12-09 10:29:16,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,582 - INFO - moving on ...
-2024-12-09 10:29:16,582 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:16,583 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:16,583 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:16,583 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,583 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:16,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,584 - INFO - number of orbitals:  38
-2024-12-09 10:29:16,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,584 - INFO - moving on ...
-2024-12-09 10:29:16,584 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:16,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,585 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,585 - INFO - moving on ...
-2024-12-09 10:29:16,585 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:16,585 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:16,585 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:16,585 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,585 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:16,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,586 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,587 - INFO - moving on ...
-2024-12-09 10:29:16,587 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:16,587 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:16,587 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:16,587 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,587 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:16,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,588 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,588 - INFO - moving on ...
-2024-12-09 10:29:16,588 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:16,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,589 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,589 - INFO - moving on ...
-2024-12-09 10:29:16,589 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:16,590 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:16,590 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:16,590 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,590 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:16,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,591 - INFO - number of orbitals:  47
-2024-12-09 10:29:16,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,591 - INFO - moving on ...
-2024-12-09 10:29:16,591 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:16,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,592 - INFO - number of orbitals:  106
-2024-12-09 10:29:16,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,592 - INFO - moving on ...
-2024-12-09 10:29:16,592 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:16,592 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:16,592 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:16,592 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,592 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:16,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,594 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,594 - INFO - moving on ...
-2024-12-09 10:29:16,594 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:16,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,595 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,595 - INFO - moving on ...
-2024-12-09 10:29:16,595 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:16,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,596 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,596 - INFO - moving on ...
-2024-12-09 10:29:16,596 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:16,596 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:16,596 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:16,597 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,597 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:16,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,598 - INFO - number of orbitals:  32
-2024-12-09 10:29:16,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,598 - INFO - moving on ...
-2024-12-09 10:29:16,598 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:16,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,599 - INFO - number of orbitals:  114
-2024-12-09 10:29:16,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,599 - INFO - moving on ...
-2024-12-09 10:29:16,599 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:16,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,600 - INFO - number of orbitals:  64
-2024-12-09 10:29:16,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,600 - INFO - moving on ...
-2024-12-09 10:29:16,600 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:16,601 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:16,601 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:16,601 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,601 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:16,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,602 - INFO - number of orbitals:  24
-2024-12-09 10:29:16,602 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,602 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,602 - INFO - moving on ...
-2024-12-09 10:29:16,602 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:16,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,603 - INFO - number of orbitals:  115
-2024-12-09 10:29:16,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,603 - INFO - moving on ...
-2024-12-09 10:29:16,603 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:16,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,604 - INFO - number of orbitals:  58
-2024-12-09 10:29:16,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,605 - INFO - moving on ...
-2024-12-09 10:29:16,605 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:16,605 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:16,605 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:16,605 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,605 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:16,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,606 - INFO - number of orbitals:  37
-2024-12-09 10:29:16,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,606 - INFO - moving on ...
-2024-12-09 10:29:16,606 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:16,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,607 - INFO - number of orbitals:  78
-2024-12-09 10:29:16,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,608 - INFO - moving on ...
-2024-12-09 10:29:16,608 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:16,608 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:16,608 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:16,608 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,608 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:16,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,609 - INFO - number of orbitals:  58
-2024-12-09 10:29:16,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,609 - INFO - moving on ...
-2024-12-09 10:29:16,609 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:16,609 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:16,609 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:16,609 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,609 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:16,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,610 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,611 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,611 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:16,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:16,611 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:16,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,626 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,627 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:16,627 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:16,627 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:16,627 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,627 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:16,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,628 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,628 - INFO - moving on ...
-2024-12-09 10:29:16,628 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:16,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,629 - INFO - number of orbitals:  86
-2024-12-09 10:29:16,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,630 - INFO - moving on ...
-2024-12-09 10:29:16,630 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:16,630 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:16,630 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:16,630 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,630 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:16,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,631 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,631 - INFO - moving on ...
-2024-12-09 10:29:16,631 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:16,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,632 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,632 - INFO - moving on ...
-2024-12-09 10:29:16,632 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:16,632 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:16,632 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:16,633 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,633 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:16,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,634 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,634 - INFO - moving on ...
-2024-12-09 10:29:16,634 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:16,634 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:16,634 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:16,634 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,634 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:16,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,635 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,635 - INFO - moving on ...
-2024-12-09 10:29:16,635 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:16,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,637 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,637 - INFO - moving on ...
-2024-12-09 10:29:16,637 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:16,637 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:16,637 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:16,637 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,637 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:16,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,638 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,638 - INFO - moving on ...
-2024-12-09 10:29:16,638 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:16,638 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:16,638 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:16,639 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,639 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:16,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,640 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,640 - INFO - moving on ...
-2024-12-09 10:29:16,640 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:16,640 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:16,640 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:16,640 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,640 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:16,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,641 - INFO - number of orbitals:  48
-2024-12-09 10:29:16,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,641 - INFO - moving on ...
-2024-12-09 10:29:16,641 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:16,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,643 - INFO - number of orbitals:  116
-2024-12-09 10:29:16,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,643 - INFO - moving on ...
-2024-12-09 10:29:16,643 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:16,643 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:16,643 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:16,643 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,643 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:16,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,644 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,644 - INFO - moving on ...
-2024-12-09 10:29:16,644 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:16,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,645 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,646 - INFO - moving on ...
-2024-12-09 10:29:16,646 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:16,646 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:16,646 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:16,646 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,646 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:16,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,647 - INFO - number of orbitals:  38
-2024-12-09 10:29:16,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,647 - INFO - moving on ...
-2024-12-09 10:29:16,647 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:16,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,648 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,648 - INFO - moving on ...
-2024-12-09 10:29:16,648 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:16,649 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:16,649 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:16,649 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,649 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:16,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,650 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,650 - INFO - moving on ...
-2024-12-09 10:29:16,650 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:16,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,651 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,651 - INFO - moving on ...
-2024-12-09 10:29:16,651 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:16,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,652 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,652 - INFO - moving on ...
-2024-12-09 10:29:16,652 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:16,653 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:16,653 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:16,653 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,653 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:16,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,654 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,654 - INFO - moving on ...
-2024-12-09 10:29:16,654 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:16,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,655 - INFO - number of orbitals:  135
-2024-12-09 10:29:16,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,655 - INFO - moving on ...
-2024-12-09 10:29:16,655 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:16,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,656 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,657 - INFO - moving on ...
-2024-12-09 10:29:16,657 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:16,657 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:16,657 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:16,657 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,657 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:16,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,658 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,658 - INFO - moving on ...
-2024-12-09 10:29:16,658 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:16,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,659 - INFO - number of orbitals:  119
-2024-12-09 10:29:16,660 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,660 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,660 - INFO - moving on ...
-2024-12-09 10:29:16,660 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:16,661 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,661 - INFO - number of orbitals:  62
-2024-12-09 10:29:16,661 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,661 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,661 - INFO - moving on ...
-2024-12-09 10:29:16,661 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:16,661 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:16,661 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:16,661 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,661 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:16,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,662 - INFO - number of orbitals:  32
-2024-12-09 10:29:16,662 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,662 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,662 - INFO - moving on ...
-2024-12-09 10:29:16,663 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:16,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,664 - INFO - number of orbitals:  64
-2024-12-09 10:29:16,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,664 - INFO - moving on ...
-2024-12-09 10:29:16,664 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:16,664 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:16,664 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:16,664 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,664 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:16,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,665 - INFO - number of orbitals:  52
-2024-12-09 10:29:16,665 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,665 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,665 - INFO - moving on ...
-2024-12-09 10:29:16,665 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:16,665 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:16,666 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:16,666 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,666 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:16,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,667 - INFO - number of orbitals:  23
-2024-12-09 10:29:16,667 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,667 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,667 - INFO - moving on ...
-2024-12-09 10:29:16,667 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:16,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,668 - INFO - number of orbitals:  89
-2024-12-09 10:29:16,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,668 - INFO - moving on ...
-2024-12-09 10:29:16,668 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:16,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,669 - INFO - number of orbitals:  48
-2024-12-09 10:29:16,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,670 - INFO - moving on ...
-2024-12-09 10:29:16,670 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:16,670 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:16,670 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:16,670 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,670 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:16,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,671 - INFO - number of orbitals:  46
-2024-12-09 10:29:16,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,671 - INFO - moving on ...
-2024-12-09 10:29:16,671 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:16,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,672 - INFO - number of orbitals:  94
-2024-12-09 10:29:16,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,672 - INFO - moving on ...
-2024-12-09 10:29:16,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:16,673 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:16,673 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:16,673 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,673 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:16,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,674 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,674 - INFO - moving on ...
-2024-12-09 10:29:16,674 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:16,674 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:16,674 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:16,674 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,674 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:16,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,676 - INFO - number of orbitals:  22
-2024-12-09 10:29:16,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,676 - INFO - moving on ...
-2024-12-09 10:29:16,676 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:16,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,677 - INFO - number of orbitals:  79
-2024-12-09 10:29:16,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,677 - INFO - moving on ...
-2024-12-09 10:29:16,677 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:16,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,678 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,678 - INFO - moving on ...
-2024-12-09 10:29:16,678 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:16,678 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:16,678 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:16,679 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,679 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:16,679 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,680 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,681 - INFO - moving on ...
-2024-12-09 10:29:16,681 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:16,681 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,681 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,681 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,682 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,682 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,683 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:16,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:16,683 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:16,699 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,699 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,699 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:16,700 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,702 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,702 - INFO - moving on ...
-2024-12-09 10:29:16,702 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:16,702 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,704 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,704 - INFO - moving on ...
-2024-12-09 10:29:16,704 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:16,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,704 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,704 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,706 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,706 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:16,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:16,706 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:16,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,722 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,727 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:16,727 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,727 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,727 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,729 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,729 - INFO - moving on ...
-2024-12-09 10:29:16,729 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:16,729 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:16,729 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:16,729 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,729 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:16,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,731 - INFO - number of orbitals:  24
-2024-12-09 10:29:16,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,731 - INFO - moving on ...
-2024-12-09 10:29:16,731 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:16,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,732 - INFO - number of orbitals:  115
-2024-12-09 10:29:16,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,732 - INFO - moving on ...
-2024-12-09 10:29:16,732 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:16,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,733 - INFO - number of orbitals:  58
-2024-12-09 10:29:16,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,733 - INFO - moving on ...
-2024-12-09 10:29:16,733 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:16,734 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:16,734 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:16,734 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,734 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:16,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,735 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,735 - INFO - moving on ...
-2024-12-09 10:29:16,735 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:16,735 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:16,735 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:16,735 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,735 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:16,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,736 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,736 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,737 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:16,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:16,737 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:16,753 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,753 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,753 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:16,753 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:16,753 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:16,754 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,754 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:16,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,756 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,756 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:16,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:16,756 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:16,772 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,772 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,772 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:16,772 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,774 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,775 - INFO - moving on ...
-2024-12-09 10:29:16,775 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:16,775 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,776 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,776 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,776 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:16,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:16,776 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:16,792 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,793 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,793 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:16,793 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,793 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,793 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,795 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,795 - INFO - moving on ...
-2024-12-09 10:29:16,795 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:16,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,797 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,797 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:16,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:16,797 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:16,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,814 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,814 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:16,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,816 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,816 - INFO - moving on ...
-2024-12-09 10:29:16,816 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:16,816 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:16,816 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:16,816 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,816 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:16,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,817 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,817 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,819 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,819 - INFO - moving on ...
-2024-12-09 10:29:16,819 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:16,819 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,819 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,819 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,821 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,821 - INFO - moving on ...
-2024-12-09 10:29:16,821 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:16,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,823 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,824 - INFO - moving on ...
-2024-12-09 10:29:16,824 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:16,824 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:16,824 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:16,824 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,824 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:16,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,825 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,825 - INFO - moving on ...
-2024-12-09 10:29:16,825 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:16,826 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:16,826 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:16,826 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,826 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:16,826 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,828 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,828 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,828 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,828 - INFO - moving on ...
-2024-12-09 10:29:16,828 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:16,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,831 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,831 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,831 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,831 - INFO - moving on ...
-2024-12-09 10:29:16,831 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:16,831 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,833 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,834 - INFO - moving on ...
-2024-12-09 10:29:16,834 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:16,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,835 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,835 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,835 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,835 - INFO - moving on ...
-2024-12-09 10:29:16,835 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:16,835 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,835 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,836 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,837 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,837 - INFO - moving on ...
-2024-12-09 10:29:16,837 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:16,837 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,837 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,837 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,839 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,839 - INFO - moving on ...
-2024-12-09 10:29:16,839 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:16,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,839 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,839 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,841 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,841 - INFO - moving on ...
-2024-12-09 10:29:16,841 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:16,841 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,841 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,841 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,843 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,843 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,843 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,843 - INFO - moving on ...
-2024-12-09 10:29:16,843 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:16,843 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,843 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,843 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,845 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,845 - INFO - moving on ...
-2024-12-09 10:29:16,845 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:16,845 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,845 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,847 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,847 - INFO - moving on ...
-2024-12-09 10:29:16,847 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:16,847 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,847 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,847 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,848 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,849 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,849 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,849 - INFO - moving on ...
-2024-12-09 10:29:16,849 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:16,849 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,849 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,849 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,850 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,850 - INFO - moving on ...
-2024-12-09 10:29:16,850 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:16,850 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,852 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,852 - INFO - moving on ...
-2024-12-09 10:29:16,852 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:16,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,852 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,854 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,854 - INFO - moving on ...
-2024-12-09 10:29:16,854 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:16,854 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,854 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,854 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,856 - INFO - number of orbitals:  25
-2024-12-09 10:29:16,856 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,856 - INFO - moving on ...
-2024-12-09 10:29:16,856 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:16,856 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,856 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,856 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,858 - INFO - number of orbitals:  39
-2024-12-09 10:29:16,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,858 - INFO - moving on ...
-2024-12-09 10:29:16,858 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:16,858 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:16,858 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:16,858 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,858 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:16,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,859 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,859 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,859 - INFO - moving on ...
-2024-12-09 10:29:16,859 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:16,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,861 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,861 - INFO - moving on ...
-2024-12-09 10:29:16,861 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:16,861 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:16,861 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:16,861 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,861 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:16,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,862 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,862 - INFO - moving on ...
-2024-12-09 10:29:16,862 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:16,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,864 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,864 - INFO - moving on ...
-2024-12-09 10:29:16,864 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:16,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,865 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,865 - INFO - moving on ...
-2024-12-09 10:29:16,865 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:16,865 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:16,865 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:16,865 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,865 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:16,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,866 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,866 - INFO - moving on ...
-2024-12-09 10:29:16,866 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:16,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,868 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,868 - INFO - moving on ...
-2024-12-09 10:29:16,868 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:16,868 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:16,868 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:16,868 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,868 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:16,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,869 - INFO - number of orbitals:  66
-2024-12-09 10:29:16,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,869 - INFO - moving on ...
-2024-12-09 10:29:16,869 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:16,870 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:16,870 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:16,870 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,870 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:16,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,872 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,872 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:16,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:16,872 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:16,887 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,888 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,888 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:16,888 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,888 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,888 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,890 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,890 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:16,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:16,890 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:16,905 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,906 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,906 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:16,906 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,906 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,906 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,908 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,908 - INFO - moving on ...
-2024-12-09 10:29:16,908 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:16,908 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,908 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,908 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,910 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,910 - INFO - moving on ...
-2024-12-09 10:29:16,910 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:16,910 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,910 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,910 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,911 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,911 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:16,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:16,912 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:16,927 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,927 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,927 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:16,928 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,928 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,928 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,930 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,930 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:16,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:16,930 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:16,945 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,946 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,946 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:16,946 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,946 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,946 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,948 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,948 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,948 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,948 - INFO - moving on ...
-2024-12-09 10:29:16,948 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:16,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,950 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,950 - INFO - moving on ...
-2024-12-09 10:29:16,950 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:16,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,950 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,950 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,952 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,952 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:16,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:16,952 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:16,967 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,968 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,968 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:16,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,970 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,971 - INFO - moving on ...
-2024-12-09 10:29:16,971 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:16,971 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,971 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,971 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,973 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,973 - INFO - moving on ...
-2024-12-09 10:29:16,973 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:16,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,973 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,973 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,975 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,975 - INFO - moving on ...
-2024-12-09 10:29:16,975 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:16,975 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:16,975 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:16,975 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,975 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:16,975 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,976 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,976 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,977 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,977 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,977 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,977 - INFO - moving on ...
-2024-12-09 10:29:16,978 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:16,978 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,978 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,978 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,979 - INFO - number of orbitals:  108
-2024-12-09 10:29:16,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,980 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,980 - INFO - moving on ...
-2024-12-09 10:29:16,980 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:16,980 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:16,980 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:16,980 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,980 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:16,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,981 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,981 - INFO - moving on ...
-2024-12-09 10:29:16,981 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:16,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,983 - INFO - number of orbitals:  135
-2024-12-09 10:29:16,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,983 - INFO - moving on ...
-2024-12-09 10:29:16,983 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:16,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,984 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,984 - INFO - moving on ...
-2024-12-09 10:29:16,984 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:16,984 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:16,984 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:16,984 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,984 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:16,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,986 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,986 - INFO - moving on ...
-2024-12-09 10:29:16,986 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:16,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,987 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,987 - INFO - moving on ...
-2024-12-09 10:29:16,987 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:16,988 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:16,988 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:16,988 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,988 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:16,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,989 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,989 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,989 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,989 - INFO - moving on ...
-2024-12-09 10:29:16,989 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:16,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,990 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,991 - INFO - moving on ...
-2024-12-09 10:29:16,991 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:16,991 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:16,991 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:16,991 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,991 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:16,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,992 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,992 - INFO - moving on ...
-2024-12-09 10:29:16,992 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:16,992 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:16,992 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:16,993 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,993 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:16,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,994 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,994 - INFO - moving on ...
-2024-12-09 10:29:16,994 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:16,994 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:16,994 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:16,994 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,994 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:16,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,996 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,996 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,996 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,996 - INFO - moving on ...
-2024-12-09 10:29:16,996 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:16,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,997 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,997 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,997 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,997 - INFO - moving on ...
-2024-12-09 10:29:16,997 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:16,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,998 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,998 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,998 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,998 - INFO - moving on ...
-2024-12-09 10:29:16,998 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:16,998 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:16,999 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:16,999 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,999 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:16,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,999 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,999 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,000 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,000 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,000 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:17,000 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:17,001 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:17,016 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,017 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,017 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:17,017 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,017 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,017 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,019 - INFO - number of orbitals:  30
-2024-12-09 10:29:17,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,019 - INFO - moving on ...
-2024-12-09 10:29:17,019 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:17,019 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,019 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,019 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,025 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,025 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,025 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:17,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:17,025 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:17,042 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,042 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,042 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:17,042 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,042 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,042 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,044 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,045 - INFO - moving on ...
-2024-12-09 10:29:17,045 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:17,045 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,045 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,045 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,046 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,047 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,047 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:17,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:17,047 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:17,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,063 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,063 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:17,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,066 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,066 - INFO - moving on ...
-2024-12-09 10:29:17,066 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:17,066 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,066 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,066 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,068 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,068 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:17,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:17,068 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:17,083 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,084 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,084 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:17,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,086 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,086 - INFO - moving on ...
-2024-12-09 10:29:17,086 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:17,086 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:17,086 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:17,086 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,086 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:17,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,088 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,088 - INFO - moving on ...
-2024-12-09 10:29:17,088 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:17,088 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:17,088 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:17,088 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,088 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:17,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,089 - INFO - number of orbitals:  33
-2024-12-09 10:29:17,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,089 - INFO - moving on ...
-2024-12-09 10:29:17,089 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:17,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,090 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,091 - INFO - moving on ...
-2024-12-09 10:29:17,091 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:17,091 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:17,091 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:17,091 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,091 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:17,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,092 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,092 - INFO - moving on ...
-2024-12-09 10:29:17,092 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:17,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,093 - INFO - number of orbitals:  119
-2024-12-09 10:29:17,093 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,093 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,093 - INFO - moving on ...
-2024-12-09 10:29:17,094 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:17,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,095 - INFO - number of orbitals:  62
-2024-12-09 10:29:17,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,095 - INFO - moving on ...
-2024-12-09 10:29:17,095 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:17,095 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:17,095 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:17,095 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,095 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:17,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,096 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,096 - INFO - moving on ...
-2024-12-09 10:29:17,096 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:17,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,098 - INFO - number of orbitals:  135
-2024-12-09 10:29:17,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,098 - INFO - moving on ...
-2024-12-09 10:29:17,098 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:17,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,099 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,099 - INFO - moving on ...
-2024-12-09 10:29:17,099 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:17,099 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:17,099 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:17,099 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,099 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:17,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,101 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,101 - INFO - moving on ...
-2024-12-09 10:29:17,101 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:17,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,102 - INFO - number of orbitals:  118
-2024-12-09 10:29:17,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,102 - INFO - moving on ...
-2024-12-09 10:29:17,102 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:17,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,103 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,103 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,103 - INFO - moving on ...
-2024-12-09 10:29:17,103 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:17,103 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:17,104 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:17,104 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,104 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:17,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,105 - INFO - number of orbitals:  38
-2024-12-09 10:29:17,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,105 - INFO - moving on ...
-2024-12-09 10:29:17,105 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:17,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,106 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,106 - INFO - moving on ...
-2024-12-09 10:29:17,106 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:17,106 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:17,106 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:17,106 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,106 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:17,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,108 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,108 - INFO - moving on ...
-2024-12-09 10:29:17,108 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:17,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,109 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,109 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,109 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,109 - INFO - moving on ...
-2024-12-09 10:29:17,109 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:17,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,110 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,110 - INFO - moving on ...
-2024-12-09 10:29:17,110 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:17,110 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:17,110 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:17,110 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,111 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:17,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,112 - INFO - number of orbitals:  38
-2024-12-09 10:29:17,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,112 - INFO - moving on ...
-2024-12-09 10:29:17,112 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:17,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,113 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,113 - INFO - moving on ...
-2024-12-09 10:29:17,113 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:17,113 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:17,113 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:17,113 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,113 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:17,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,115 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,115 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,115 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,115 - INFO - moving on ...
-2024-12-09 10:29:17,115 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:17,115 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:17,115 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:17,115 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,115 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:17,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,116 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,116 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,117 - INFO - moving on ...
-2024-12-09 10:29:17,117 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:17,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,118 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,119 - INFO - moving on ...
-2024-12-09 10:29:17,119 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:17,119 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:17,119 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:17,119 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,119 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:17,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,121 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,121 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,121 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:17,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:17,121 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:17,137 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,138 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,138 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:17,138 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:17,138 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:17,138 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,138 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:17,138 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,138 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,138 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,140 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,140 - INFO - moving on ...
-2024-12-09 10:29:17,140 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:17,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,142 - INFO - number of orbitals:  46
-2024-12-09 10:29:17,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,143 - INFO - moving on ...
-2024-12-09 10:29:17,143 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:17,143 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,143 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,143 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,144 - INFO - number of orbitals:  46
-2024-12-09 10:29:17,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,145 - INFO - moving on ...
-2024-12-09 10:29:17,145 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:17,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,146 - INFO - number of orbitals:  30
-2024-12-09 10:29:17,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,146 - INFO - moving on ...
-2024-12-09 10:29:17,146 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:17,147 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:17,147 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:17,147 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,147 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:17,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,148 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,148 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:17,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:17,148 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:17,164 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,164 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,165 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:17,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:17,165 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,165 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:17,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,166 - INFO - number of orbitals:  85
-2024-12-09 10:29:17,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,166 - INFO - moving on ...
-2024-12-09 10:29:17,166 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:17,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,167 - INFO - number of orbitals:  44
-2024-12-09 10:29:17,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,168 - INFO - moving on ...
-2024-12-09 10:29:17,168 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:17,168 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:17,168 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:17,168 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,168 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:17,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,169 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,169 - INFO - moving on ...
-2024-12-09 10:29:17,169 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:17,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,170 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,170 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,170 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,171 - INFO - moving on ...
-2024-12-09 10:29:17,171 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:17,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,172 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,172 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,172 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,172 - INFO - moving on ...
-2024-12-09 10:29:17,172 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:17,172 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:17,172 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:17,172 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,172 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:17,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,173 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,173 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,174 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:17,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:17,174 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:17,190 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,191 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,191 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:17,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:17,191 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,191 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:17,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,193 - INFO - number of orbitals:  85
-2024-12-09 10:29:17,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,193 - INFO - moving on ...
-2024-12-09 10:29:17,193 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:17,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,194 - INFO - number of orbitals:  44
-2024-12-09 10:29:17,194 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,195 - INFO - moving on ...
-2024-12-09 10:29:17,195 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:17,195 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:17,195 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:17,195 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,195 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:17,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,196 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,196 - INFO - moving on ...
-2024-12-09 10:29:17,196 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:17,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,198 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,198 - INFO - moving on ...
-2024-12-09 10:29:17,198 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:17,199 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:17,199 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:17,199 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,199 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:17,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,200 - INFO - number of orbitals:  30
-2024-12-09 10:29:17,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,200 - INFO - moving on ...
-2024-12-09 10:29:17,200 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:17,201 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:17,201 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:17,201 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,201 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:17,201 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,201 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,201 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,203 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,203 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,203 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:17,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:17,203 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:17,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,219 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,219 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:17,219 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,219 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,219 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,221 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,221 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,221 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:17,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:17,222 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:17,238 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,238 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,239 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:17,239 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,239 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,239 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,241 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,241 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,241 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:17,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:17,241 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:17,257 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,257 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,257 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:17,257 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,257 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,257 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,259 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,259 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,259 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:17,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:17,259 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:17,275 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,276 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,276 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:17,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,276 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,276 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,278 - INFO - number of orbitals:  33
-2024-12-09 10:29:17,278 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,278 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,278 - INFO - moving on ...
-2024-12-09 10:29:17,278 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:17,278 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,278 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,278 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,280 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,280 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,280 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:17,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:17,280 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:17,297 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,297 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,297 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:17,297 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,297 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,297 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,299 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,299 - INFO - moving on ...
-2024-12-09 10:29:17,299 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:17,299 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,300 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,300 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,301 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,301 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,301 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:17,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:17,301 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:17,317 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,318 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,318 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:17,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,318 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,318 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,320 - INFO - number of orbitals:  42
-2024-12-09 10:29:17,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,320 - INFO - moving on ...
-2024-12-09 10:29:17,320 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:17,320 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:17,320 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:17,320 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,320 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:17,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,322 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,322 - INFO - moving on ...
-2024-12-09 10:29:17,322 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:17,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,323 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,323 - INFO - moving on ...
-2024-12-09 10:29:17,323 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:17,324 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:17,324 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:17,324 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,324 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:17,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,325 - INFO - number of orbitals:  29
-2024-12-09 10:29:17,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,325 - INFO - moving on ...
-2024-12-09 10:29:17,325 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:17,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,327 - INFO - number of orbitals:  72
-2024-12-09 10:29:17,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,327 - INFO - moving on ...
-2024-12-09 10:29:17,327 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:17,327 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:17,327 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:17,327 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,327 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:17,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,328 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,328 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,329 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:17,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:17,329 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:17,345 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,345 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,345 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:17,345 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:17,345 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:17,345 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,345 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:17,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,347 - INFO - number of orbitals:  48
-2024-12-09 10:29:17,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,347 - INFO - moving on ...
-2024-12-09 10:29:17,347 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:17,347 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:17,347 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:17,347 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,347 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:17,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,348 - INFO - number of orbitals:  48
-2024-12-09 10:29:17,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,349 - INFO - moving on ...
-2024-12-09 10:29:17,349 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:17,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,350 - INFO - number of orbitals:  116
-2024-12-09 10:29:17,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,350 - INFO - moving on ...
-2024-12-09 10:29:17,350 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:17,350 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:17,350 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:17,350 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,350 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:17,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,351 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,351 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,351 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:17,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:17,352 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:17,368 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,369 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,369 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:17,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:17,369 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,369 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:17,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,370 - INFO - number of orbitals:  79
-2024-12-09 10:29:17,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,370 - INFO - moving on ...
-2024-12-09 10:29:17,370 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:17,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,371 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,371 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,371 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,371 - INFO - moving on ...
-2024-12-09 10:29:17,372 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:17,372 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:17,372 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:17,372 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,372 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:17,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,372 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,372 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,374 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,374 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:17,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:17,374 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:17,391 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,391 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,391 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:17,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,393 - INFO - number of orbitals:  26
-2024-12-09 10:29:17,394 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,394 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,394 - INFO - moving on ...
-2024-12-09 10:29:17,394 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:17,394 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,396 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,396 - INFO - moving on ...
-2024-12-09 10:29:17,396 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:17,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,398 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,398 - INFO - moving on ...
-2024-12-09 10:29:17,398 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:17,399 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,399 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,399 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,401 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,401 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,401 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:17,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:17,401 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:17,418 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,418 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,418 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:17,418 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,418 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,418 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,420 - INFO - number of orbitals:  26
-2024-12-09 10:29:17,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,420 - INFO - moving on ...
-2024-12-09 10:29:17,420 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:17,420 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,422 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,423 - INFO - moving on ...
-2024-12-09 10:29:17,423 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:17,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,424 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,424 - INFO - moving on ...
-2024-12-09 10:29:17,425 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:17,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,426 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,426 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,426 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:17,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:17,427 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:17,442 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,443 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,443 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:17,443 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,443 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,443 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,445 - INFO - number of orbitals:  26
-2024-12-09 10:29:17,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,445 - INFO - moving on ...
-2024-12-09 10:29:17,445 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:17,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,447 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,447 - INFO - moving on ...
-2024-12-09 10:29:17,447 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:17,447 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,447 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,449 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,449 - INFO - moving on ...
-2024-12-09 10:29:17,449 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:17,449 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:17,449 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:17,449 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,449 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:17,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,450 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,450 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,451 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:17,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:17,451 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:17,466 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,467 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,467 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:17,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:17,467 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,467 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:17,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,468 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,468 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,468 - INFO - moving on ...
-2024-12-09 10:29:17,468 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:17,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,470 - INFO - number of orbitals:  30
-2024-12-09 10:29:17,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,470 - INFO - moving on ...
-2024-12-09 10:29:17,470 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:17,470 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:17,470 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:17,470 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,470 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:17,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,471 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,471 - INFO - moving on ...
-2024-12-09 10:29:17,471 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:17,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,473 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,473 - INFO - moving on ...
-2024-12-09 10:29:17,473 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:17,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,474 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,474 - INFO - moving on ...
-2024-12-09 10:29:17,474 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:17,474 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:17,474 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:17,474 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,474 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:17,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,476 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,476 - INFO - moving on ...
-2024-12-09 10:29:17,476 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:17,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,477 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,477 - INFO - moving on ...
-2024-12-09 10:29:17,477 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:17,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,478 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,478 - INFO - moving on ...
-2024-12-09 10:29:17,478 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:17,479 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:17,479 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:17,479 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,479 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:17,479 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,479 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,479 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,480 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,481 - INFO - moving on ...
-2024-12-09 10:29:17,481 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:17,481 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,481 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,481 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,482 - INFO - number of orbitals:  53
-2024-12-09 10:29:17,483 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,483 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,483 - INFO - moving on ...
-2024-12-09 10:29:17,483 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:17,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,484 - INFO - number of orbitals:  58
-2024-12-09 10:29:17,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,485 - INFO - moving on ...
-2024-12-09 10:29:17,485 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:17,485 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,485 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,485 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,486 - INFO - number of orbitals:  44
-2024-12-09 10:29:17,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,487 - INFO - moving on ...
-2024-12-09 10:29:17,487 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:17,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,488 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,489 - INFO - moving on ...
-2024-12-09 10:29:17,489 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:17,489 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,489 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,489 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,490 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,490 - INFO - moving on ...
-2024-12-09 10:29:17,491 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:17,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,492 - INFO - number of orbitals:  44
-2024-12-09 10:29:17,492 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,492 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,492 - INFO - moving on ...
-2024-12-09 10:29:17,492 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:17,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,492 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,493 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,494 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,494 - INFO - moving on ...
-2024-12-09 10:29:17,494 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:17,494 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,494 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,494 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,496 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,496 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,496 - INFO - moving on ...
-2024-12-09 10:29:17,496 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:17,496 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:17,496 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:17,496 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,496 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:17,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,498 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,498 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,498 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,498 - INFO - moving on ...
-2024-12-09 10:29:17,498 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:17,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,499 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,499 - INFO - moving on ...
-2024-12-09 10:29:17,499 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:17,499 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:17,499 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:17,499 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,499 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:17,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,501 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,501 - INFO - moving on ...
-2024-12-09 10:29:17,501 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:17,501 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:17,501 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:17,501 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,501 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:17,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,502 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,502 - INFO - moving on ...
-2024-12-09 10:29:17,502 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:17,502 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:17,502 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:17,502 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,502 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:17,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,504 - INFO - number of orbitals:  33
-2024-12-09 10:29:17,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,504 - INFO - moving on ...
-2024-12-09 10:29:17,504 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:17,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,505 - INFO - number of orbitals:  74
-2024-12-09 10:29:17,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,505 - INFO - moving on ...
-2024-12-09 10:29:17,505 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:17,505 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:17,505 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:17,505 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,505 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:17,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,507 - INFO - number of orbitals:  38
-2024-12-09 10:29:17,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,507 - INFO - moving on ...
-2024-12-09 10:29:17,507 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:17,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,508 - INFO - number of orbitals:  90
-2024-12-09 10:29:17,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,508 - INFO - moving on ...
-2024-12-09 10:29:17,508 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:17,508 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:17,508 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:17,508 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,508 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:17,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,510 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,510 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,510 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,510 - INFO - moving on ...
-2024-12-09 10:29:17,510 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:17,510 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:17,510 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:17,510 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,510 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:17,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,511 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,511 - INFO - moving on ...
-2024-12-09 10:29:17,511 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:17,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,512 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,513 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,513 - INFO - moving on ...
-2024-12-09 10:29:17,513 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:17,513 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:17,513 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:17,513 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,513 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:17,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,514 - INFO - number of orbitals:  47
-2024-12-09 10:29:17,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,514 - INFO - moving on ...
-2024-12-09 10:29:17,514 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:17,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,515 - INFO - number of orbitals:  106
-2024-12-09 10:29:17,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,515 - INFO - moving on ...
-2024-12-09 10:29:17,515 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:17,516 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:17,516 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:17,516 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,516 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:17,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,517 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,517 - INFO - moving on ...
-2024-12-09 10:29:17,517 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:17,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,518 - INFO - number of orbitals:  118
-2024-12-09 10:29:17,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,518 - INFO - moving on ...
-2024-12-09 10:29:17,518 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:17,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,520 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,520 - INFO - moving on ...
-2024-12-09 10:29:17,520 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:17,520 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:17,520 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:17,520 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,520 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:17,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,521 - INFO - number of orbitals:  32
-2024-12-09 10:29:17,521 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,521 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,522 - INFO - moving on ...
-2024-12-09 10:29:17,522 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:17,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,523 - INFO - number of orbitals:  114
-2024-12-09 10:29:17,523 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,523 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,523 - INFO - moving on ...
-2024-12-09 10:29:17,523 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:17,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,524 - INFO - number of orbitals:  64
-2024-12-09 10:29:17,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,524 - INFO - moving on ...
-2024-12-09 10:29:17,524 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:17,524 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:17,524 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:17,524 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,524 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:17,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,526 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,526 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:17,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:17,526 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:17,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,543 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,543 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:17,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:17,543 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,543 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:17,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,544 - INFO - number of orbitals:  115
-2024-12-09 10:29:17,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,545 - INFO - moving on ...
-2024-12-09 10:29:17,545 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:17,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,546 - INFO - number of orbitals:  58
-2024-12-09 10:29:17,546 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,546 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,546 - INFO - moving on ...
-2024-12-09 10:29:17,546 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:17,546 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:17,546 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:17,546 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,546 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:17,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,547 - INFO - number of orbitals:  37
-2024-12-09 10:29:17,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,548 - INFO - moving on ...
-2024-12-09 10:29:17,548 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:17,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,549 - INFO - number of orbitals:  78
-2024-12-09 10:29:17,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,549 - INFO - moving on ...
-2024-12-09 10:29:17,549 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:17,549 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:17,549 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:17,549 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,549 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:17,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,550 - INFO - number of orbitals:  58
-2024-12-09 10:29:17,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,551 - INFO - moving on ...
-2024-12-09 10:29:17,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:17,551 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:17,551 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:17,551 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,551 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:17,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,552 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,552 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,552 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:17,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:17,552 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:17,568 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,569 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,569 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:17,569 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:17,569 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:17,569 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,569 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:17,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,570 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,571 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,571 - INFO - moving on ...
-2024-12-09 10:29:17,571 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:17,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,572 - INFO - number of orbitals:  86
-2024-12-09 10:29:17,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,572 - INFO - moving on ...
-2024-12-09 10:29:17,572 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:17,572 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:17,572 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:17,572 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,572 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:17,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,573 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,574 - INFO - moving on ...
-2024-12-09 10:29:17,574 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:17,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,575 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,575 - INFO - moving on ...
-2024-12-09 10:29:17,575 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:17,575 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:17,575 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:17,575 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,575 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:17,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,576 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,577 - INFO - moving on ...
-2024-12-09 10:29:17,577 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:17,577 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:17,577 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:17,577 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,577 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:17,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,578 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,578 - INFO - moving on ...
-2024-12-09 10:29:17,578 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:17,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,579 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,579 - INFO - moving on ...
-2024-12-09 10:29:17,580 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:17,580 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:17,580 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:17,580 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,580 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:17,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,581 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,581 - INFO - moving on ...
-2024-12-09 10:29:17,581 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:17,581 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:17,581 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:17,581 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,581 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:17,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,582 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,583 - INFO - moving on ...
-2024-12-09 10:29:17,583 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:17,583 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:17,583 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:17,583 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,583 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:17,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,584 - INFO - number of orbitals:  48
-2024-12-09 10:29:17,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,584 - INFO - moving on ...
-2024-12-09 10:29:17,584 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:17,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,585 - INFO - number of orbitals:  116
-2024-12-09 10:29:17,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,585 - INFO - moving on ...
-2024-12-09 10:29:17,585 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:17,586 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:17,586 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:17,586 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,586 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:17,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,587 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,587 - INFO - moving on ...
-2024-12-09 10:29:17,587 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:17,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,588 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,588 - INFO - moving on ...
-2024-12-09 10:29:17,589 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:17,589 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:17,589 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:17,589 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,589 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:17,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,590 - INFO - number of orbitals:  38
-2024-12-09 10:29:17,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,590 - INFO - moving on ...
-2024-12-09 10:29:17,590 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:17,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,591 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,591 - INFO - moving on ...
-2024-12-09 10:29:17,591 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:17,591 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:17,592 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:17,592 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,592 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:17,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,593 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,593 - INFO - moving on ...
-2024-12-09 10:29:17,593 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:17,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,594 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,594 - INFO - moving on ...
-2024-12-09 10:29:17,594 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:17,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,595 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,596 - INFO - moving on ...
-2024-12-09 10:29:17,596 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:17,596 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:17,596 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:17,596 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,596 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:17,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,597 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,597 - INFO - moving on ...
-2024-12-09 10:29:17,597 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:17,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,598 - INFO - number of orbitals:  135
-2024-12-09 10:29:17,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,598 - INFO - moving on ...
-2024-12-09 10:29:17,598 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:17,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,600 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,600 - INFO - moving on ...
-2024-12-09 10:29:17,600 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:17,600 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:17,600 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:17,600 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,600 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:17,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,601 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,601 - INFO - moving on ...
-2024-12-09 10:29:17,601 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:17,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,603 - INFO - number of orbitals:  119
-2024-12-09 10:29:17,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,603 - INFO - moving on ...
-2024-12-09 10:29:17,603 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:17,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,604 - INFO - number of orbitals:  62
-2024-12-09 10:29:17,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,604 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,604 - INFO - moving on ...
-2024-12-09 10:29:17,604 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:17,604 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:17,604 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:17,604 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,604 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:17,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,606 - INFO - number of orbitals:  32
-2024-12-09 10:29:17,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,606 - INFO - moving on ...
-2024-12-09 10:29:17,606 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:17,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,607 - INFO - number of orbitals:  64
-2024-12-09 10:29:17,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,607 - INFO - moving on ...
-2024-12-09 10:29:17,607 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:17,607 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:17,607 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:17,607 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,607 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:17,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,608 - INFO - number of orbitals:  52
-2024-12-09 10:29:17,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,608 - INFO - moving on ...
-2024-12-09 10:29:17,609 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:17,609 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:17,609 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:17,609 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,609 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:17,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,610 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,610 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,610 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:17,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:17,610 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:17,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,626 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,626 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:17,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:17,626 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,626 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:17,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,628 - INFO - number of orbitals:  89
-2024-12-09 10:29:17,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,628 - INFO - moving on ...
-2024-12-09 10:29:17,628 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:17,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,629 - INFO - number of orbitals:  48
-2024-12-09 10:29:17,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,629 - INFO - moving on ...
-2024-12-09 10:29:17,629 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:17,629 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:17,629 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:17,629 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,629 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:17,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,630 - INFO - number of orbitals:  46
-2024-12-09 10:29:17,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,631 - INFO - moving on ...
-2024-12-09 10:29:17,631 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:17,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,632 - INFO - number of orbitals:  94
-2024-12-09 10:29:17,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,632 - INFO - moving on ...
-2024-12-09 10:29:17,632 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:17,632 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:17,632 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:17,632 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,632 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:17,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,633 - INFO - number of orbitals:  70
-2024-12-09 10:29:17,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,633 - INFO - moving on ...
-2024-12-09 10:29:17,633 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:17,634 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:17,634 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:17,634 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,634 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:17,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,635 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:17,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:17,635 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:17,650 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,651 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,651 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:17,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:17,651 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,651 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:17,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,652 - INFO - number of orbitals:  79
-2024-12-09 10:29:17,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,652 - INFO - moving on ...
-2024-12-09 10:29:17,652 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:17,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,653 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,654 - INFO - moving on ...
-2024-12-09 10:29:17,654 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:17,654 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:17,654 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:17,654 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,654 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:17,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,656 - INFO - number of orbitals:  42
-2024-12-09 10:29:17,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,656 - INFO - moving on ...
-2024-12-09 10:29:17,656 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:17,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,658 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,658 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,658 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:17,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:17,658 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:17,674 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,674 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,674 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:17,674 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,674 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,674 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,676 - INFO - number of orbitals:  90
-2024-12-09 10:29:17,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,676 - INFO - moving on ...
-2024-12-09 10:29:17,676 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:17,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,678 - INFO - number of orbitals:  42
-2024-12-09 10:29:17,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,678 - INFO - moving on ...
-2024-12-09 10:29:17,678 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:17,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,678 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,680 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,680 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,680 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:17,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:17,680 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:17,695 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,696 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,696 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:17,696 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,696 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,696 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,698 - INFO - number of orbitals:  90
-2024-12-09 10:29:17,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,698 - INFO - moving on ...
-2024-12-09 10:29:17,698 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:17,698 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:17,698 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:17,698 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,698 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:17,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,699 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,699 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,699 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:17,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:17,699 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:17,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,715 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,715 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:17,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:17,715 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,715 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:17,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,716 - INFO - number of orbitals:  115
-2024-12-09 10:29:17,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,716 - INFO - moving on ...
-2024-12-09 10:29:17,716 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:17,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,718 - INFO - number of orbitals:  58
-2024-12-09 10:29:17,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,718 - INFO - moving on ...
-2024-12-09 10:29:17,718 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:17,718 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:17,718 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:17,718 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,718 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:17,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,719 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,719 - INFO - moving on ...
-2024-12-09 10:29:17,719 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:17,720 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:17,720 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:17,720 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,720 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:17,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,721 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,721 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,721 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:17,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:17,721 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:17,737 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,737 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,737 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:17,737 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:17,737 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:17,738 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,738 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:17,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,738 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,738 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,740 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,740 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,740 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:17,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:17,740 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:17,755 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,756 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,756 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:17,756 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,756 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,756 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,758 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,758 - INFO - moving on ...
-2024-12-09 10:29:17,758 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:17,758 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,758 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,758 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,760 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,760 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,760 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:17,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:17,760 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:17,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,776 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,776 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:17,776 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,777 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,777 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,778 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,779 - INFO - moving on ...
-2024-12-09 10:29:17,779 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:17,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,780 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,780 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,780 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:17,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:17,781 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:17,796 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,796 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,797 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:17,797 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,797 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,797 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,799 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,799 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,799 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,799 - INFO - moving on ...
-2024-12-09 10:29:17,799 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:17,799 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:17,799 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:17,799 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,799 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:17,799 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,799 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,799 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,801 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,801 - INFO - moving on ...
-2024-12-09 10:29:17,801 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:17,801 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,801 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,801 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,803 - INFO - number of orbitals:  70
-2024-12-09 10:29:17,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,803 - INFO - moving on ...
-2024-12-09 10:29:17,803 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:17,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,805 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,805 - INFO - moving on ...
-2024-12-09 10:29:17,805 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:17,805 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:17,805 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:17,805 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,805 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:17,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,806 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,806 - INFO - moving on ...
-2024-12-09 10:29:17,806 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:17,807 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:17,807 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:17,807 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,807 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:17,807 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,807 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,807 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,808 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,809 - INFO - moving on ...
-2024-12-09 10:29:17,809 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:17,809 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,809 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,809 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,810 - INFO - number of orbitals:  70
-2024-12-09 10:29:17,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,810 - INFO - moving on ...
-2024-12-09 10:29:17,811 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:17,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,812 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,812 - INFO - moving on ...
-2024-12-09 10:29:17,812 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:17,812 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,813 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,813 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,814 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,814 - INFO - moving on ...
-2024-12-09 10:29:17,814 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:17,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,816 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,816 - INFO - moving on ...
-2024-12-09 10:29:17,816 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:17,816 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,816 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,816 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,818 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,818 - INFO - moving on ...
-2024-12-09 10:29:17,818 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:17,818 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,818 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,818 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,820 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,820 - INFO - moving on ...
-2024-12-09 10:29:17,820 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:17,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,820 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,822 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,822 - INFO - moving on ...
-2024-12-09 10:29:17,822 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:17,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,824 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,824 - INFO - moving on ...
-2024-12-09 10:29:17,824 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:17,824 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,824 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,824 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,826 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,826 - INFO - moving on ...
-2024-12-09 10:29:17,826 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:17,826 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,828 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,828 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,828 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,828 - INFO - moving on ...
-2024-12-09 10:29:17,828 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:17,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,830 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,830 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,830 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,830 - INFO - moving on ...
-2024-12-09 10:29:17,830 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:17,830 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,830 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,830 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,832 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,832 - INFO - moving on ...
-2024-12-09 10:29:17,832 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:17,832 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,832 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,832 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,833 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,834 - INFO - moving on ...
-2024-12-09 10:29:17,834 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:17,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,835 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,835 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:17,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:17,836 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:17,851 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,852 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,852 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:17,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,852 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,854 - INFO - number of orbitals:  39
-2024-12-09 10:29:17,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,854 - INFO - moving on ...
-2024-12-09 10:29:17,854 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:17,854 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:17,854 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:17,854 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,854 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:17,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,855 - INFO - number of orbitals:  42
-2024-12-09 10:29:17,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,856 - INFO - moving on ...
-2024-12-09 10:29:17,856 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:17,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,857 - INFO - number of orbitals:  90
-2024-12-09 10:29:17,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,857 - INFO - moving on ...
-2024-12-09 10:29:17,857 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:17,857 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:17,857 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:17,857 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,857 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:17,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,858 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,858 - INFO - moving on ...
-2024-12-09 10:29:17,858 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:17,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,860 - INFO - number of orbitals:  118
-2024-12-09 10:29:17,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,860 - INFO - moving on ...
-2024-12-09 10:29:17,860 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:17,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,861 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,861 - INFO - moving on ...
-2024-12-09 10:29:17,861 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:17,861 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:17,861 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:17,861 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,861 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:17,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,862 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,863 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,863 - INFO - moving on ...
-2024-12-09 10:29:17,863 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:17,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,864 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,864 - INFO - moving on ...
-2024-12-09 10:29:17,864 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:17,864 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:17,864 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:17,864 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,864 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:17,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,865 - INFO - number of orbitals:  66
-2024-12-09 10:29:17,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,865 - INFO - moving on ...
-2024-12-09 10:29:17,866 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:17,866 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:17,866 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:17,866 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,866 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:17,866 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,866 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,866 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,868 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,868 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:17,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:17,868 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:17,883 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,884 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,884 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:17,884 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,884 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,884 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,886 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,886 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,886 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:17,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:17,886 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:17,901 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,902 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,902 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:17,902 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,904 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,904 - INFO - moving on ...
-2024-12-09 10:29:17,904 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:17,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,906 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,906 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,906 - INFO - moving on ...
-2024-12-09 10:29:17,906 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:17,906 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,906 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,906 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,908 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,908 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,908 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:17,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:17,908 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:17,923 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,923 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,924 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:17,924 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,924 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,924 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,926 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,926 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,926 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:17,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:17,926 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:17,942 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,942 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,942 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:17,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,942 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,944 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,944 - INFO - moving on ...
-2024-12-09 10:29:17,944 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:17,944 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,945 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,945 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,946 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,946 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,946 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,946 - INFO - moving on ...
-2024-12-09 10:29:17,946 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:17,946 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,947 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,948 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,948 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,948 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:17,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:17,948 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:17,963 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,964 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,964 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:17,964 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,964 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,964 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,966 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,966 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:17,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:17,966 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:17,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,982 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,982 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:17,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,984 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,984 - INFO - moving on ...
-2024-12-09 10:29:17,984 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:17,984 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,984 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,984 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,986 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,986 - INFO - moving on ...
-2024-12-09 10:29:17,986 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:17,986 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:17,986 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:17,986 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,986 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:17,986 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,987 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,987 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,988 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,988 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,988 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:17,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:17,988 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:18,004 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,004 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,005 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:18,005 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,005 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,005 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,007 - INFO - number of orbitals:  108
-2024-12-09 10:29:18,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,007 - INFO - moving on ...
-2024-12-09 10:29:18,007 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:18,007 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:18,007 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:18,007 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,007 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:18,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,008 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,008 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,008 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,008 - INFO - moving on ...
-2024-12-09 10:29:18,009 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:18,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,010 - INFO - number of orbitals:  135
-2024-12-09 10:29:18,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,010 - INFO - moving on ...
-2024-12-09 10:29:18,010 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:18,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,011 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,011 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,011 - INFO - moving on ...
-2024-12-09 10:29:18,011 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:18,012 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:18,012 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:18,012 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,012 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:18,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,013 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,013 - INFO - moving on ...
-2024-12-09 10:29:18,013 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:18,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,014 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,014 - INFO - moving on ...
-2024-12-09 10:29:18,014 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:18,014 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:18,014 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:18,014 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,015 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:18,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,016 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,016 - INFO - moving on ...
-2024-12-09 10:29:18,016 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:18,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,017 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,017 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,017 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,017 - INFO - moving on ...
-2024-12-09 10:29:18,017 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:18,017 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:18,017 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:18,017 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,017 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:18,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,019 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,019 - INFO - moving on ...
-2024-12-09 10:29:18,019 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:18,019 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:18,019 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:18,019 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,019 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:18,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,020 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,020 - INFO - moving on ...
-2024-12-09 10:29:18,020 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:18,020 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:18,020 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:18,020 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,020 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:18,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,022 - INFO - number of orbitals:  36
-2024-12-09 10:29:18,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,022 - INFO - moving on ...
-2024-12-09 10:29:18,022 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:18,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,023 - INFO - number of orbitals:  118
-2024-12-09 10:29:18,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,023 - INFO - moving on ...
-2024-12-09 10:29:18,023 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:18,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,024 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,024 - INFO - moving on ...
-2024-12-09 10:29:18,024 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:18,025 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:18,025 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:18,025 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,025 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:18,025 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,027 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,027 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:18,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:18,027 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:18,042 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,043 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,043 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:18,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,043 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,043 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,045 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,046 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:18,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:18,046 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:18,061 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,062 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,062 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:18,062 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,062 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,062 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,064 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,064 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:18,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:18,064 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:18,078 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,079 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,079 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:18,079 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,079 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,079 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,081 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,081 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,081 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,081 - INFO - moving on ...
-2024-12-09 10:29:18,081 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:18,081 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,081 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,081 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,083 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,083 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,083 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:18,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:18,083 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:18,097 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,098 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,098 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:18,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,100 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,100 - INFO - moving on ...
-2024-12-09 10:29:18,100 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:18,100 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,100 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,100 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,102 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,102 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:18,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:18,102 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:18,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,118 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,118 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:18,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,120 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,120 - INFO - moving on ...
-2024-12-09 10:29:18,120 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:18,120 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:18,120 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:18,120 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,120 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:18,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,121 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,122 - INFO - moving on ...
-2024-12-09 10:29:18,122 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:18,122 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:18,122 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:18,122 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,122 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:18,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,123 - INFO - number of orbitals:  33
-2024-12-09 10:29:18,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,123 - INFO - moving on ...
-2024-12-09 10:29:18,123 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:18,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,124 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,124 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,124 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,124 - INFO - moving on ...
-2024-12-09 10:29:18,124 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:18,125 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:18,125 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:18,125 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,125 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:18,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,126 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,126 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,126 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:18,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:18,126 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:18,141 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,142 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,142 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:18,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:18,142 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,142 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:18,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,143 - INFO - number of orbitals:  119
-2024-12-09 10:29:18,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,144 - INFO - moving on ...
-2024-12-09 10:29:18,144 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:18,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,145 - INFO - number of orbitals:  62
-2024-12-09 10:29:18,145 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,145 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,145 - INFO - moving on ...
-2024-12-09 10:29:18,145 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:18,145 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:18,145 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:18,145 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,145 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:18,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,146 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,146 - INFO - moving on ...
-2024-12-09 10:29:18,146 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:18,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,147 - INFO - number of orbitals:  135
-2024-12-09 10:29:18,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,147 - INFO - moving on ...
-2024-12-09 10:29:18,148 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:18,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,149 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,149 - INFO - moving on ...
-2024-12-09 10:29:18,149 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:18,149 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:18,149 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:18,149 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,149 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:18,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,150 - INFO - number of orbitals:  36
-2024-12-09 10:29:18,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,150 - INFO - moving on ...
-2024-12-09 10:29:18,150 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:18,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,151 - INFO - number of orbitals:  118
-2024-12-09 10:29:18,151 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,151 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,151 - INFO - moving on ...
-2024-12-09 10:29:18,152 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:18,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,153 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,153 - INFO - moving on ...
-2024-12-09 10:29:18,153 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:18,153 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:18,153 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:18,153 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,153 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:18,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,154 - INFO - number of orbitals:  38
-2024-12-09 10:29:18,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,154 - INFO - moving on ...
-2024-12-09 10:29:18,154 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:18,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,155 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,156 - INFO - moving on ...
-2024-12-09 10:29:18,156 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:18,156 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:18,156 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:18,156 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,156 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:18,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,157 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,157 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,157 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:18,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:18,157 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:18,173 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,173 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,174 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:18,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:18,174 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,174 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:18,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,175 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,175 - INFO - moving on ...
-2024-12-09 10:29:18,175 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:18,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,176 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,176 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,177 - INFO - moving on ...
-2024-12-09 10:29:18,177 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:18,177 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:18,177 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:18,177 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,177 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:18,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,178 - INFO - number of orbitals:  38
-2024-12-09 10:29:18,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,178 - INFO - moving on ...
-2024-12-09 10:29:18,178 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:18,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,179 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,180 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,180 - INFO - moving on ...
-2024-12-09 10:29:18,180 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:18,180 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:18,180 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:18,180 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,180 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:18,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,181 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,181 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,181 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,181 - INFO - moving on ...
-2024-12-09 10:29:18,181 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:18,181 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:18,181 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:18,181 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,181 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:18,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,183 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,183 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,183 - INFO - moving on ...
-2024-12-09 10:29:18,183 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:18,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,184 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,184 - INFO - moving on ...
-2024-12-09 10:29:18,184 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:18,184 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:18,184 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:18,184 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,184 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:18,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,185 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,186 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,186 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:18,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:18,186 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:18,202 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,202 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,202 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:18,203 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:18,203 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:18,203 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,203 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:18,203 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,203 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,203 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,205 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,205 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,205 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,205 - INFO - moving on ...
-2024-12-09 10:29:18,205 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:18,205 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,205 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,207 - INFO - number of orbitals:  46
-2024-12-09 10:29:18,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,207 - INFO - moving on ...
-2024-12-09 10:29:18,207 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:18,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,207 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,207 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,209 - INFO - number of orbitals:  46
-2024-12-09 10:29:18,209 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,209 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,209 - INFO - moving on ...
-2024-12-09 10:29:18,209 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:18,209 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,209 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,209 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,211 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,211 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,211 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:18,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:18,211 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:18,227 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,228 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,228 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:18,228 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:18,228 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:18,228 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,228 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:18,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,229 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,230 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,230 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:18,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:18,230 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:18,246 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,246 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,246 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:18,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:18,246 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,247 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:18,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,248 - INFO - number of orbitals:  85
-2024-12-09 10:29:18,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,248 - INFO - moving on ...
-2024-12-09 10:29:18,248 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:18,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,250 - INFO - number of orbitals:  44
-2024-12-09 10:29:18,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,250 - INFO - moving on ...
-2024-12-09 10:29:18,250 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:18,250 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:18,250 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:18,250 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,250 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:18,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,251 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,251 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,251 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:18,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:18,251 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:18,267 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,267 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,267 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:18,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:18,267 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,268 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:18,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,269 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,269 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,269 - INFO - moving on ...
-2024-12-09 10:29:18,269 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:18,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,270 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,270 - INFO - moving on ...
-2024-12-09 10:29:18,270 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:18,271 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:18,271 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:18,271 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,271 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:18,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,272 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,272 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:18,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:18,272 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:18,288 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,288 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,288 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:18,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:18,289 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,289 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:18,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,290 - INFO - number of orbitals:  85
-2024-12-09 10:29:18,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,290 - INFO - moving on ...
-2024-12-09 10:29:18,290 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:18,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,292 - INFO - number of orbitals:  44
-2024-12-09 10:29:18,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,292 - INFO - moving on ...
-2024-12-09 10:29:18,292 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:18,292 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:18,292 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:18,292 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,292 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:18,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,293 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,293 - INFO - moving on ...
-2024-12-09 10:29:18,293 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:18,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,295 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,295 - INFO - moving on ...
-2024-12-09 10:29:18,295 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:18,295 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:18,295 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:18,295 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,295 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:18,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,296 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,296 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:18,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:18,296 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:18,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,313 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,313 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:18,314 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:18,314 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:18,314 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,314 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:18,314 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,314 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,314 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,316 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,316 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:18,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:18,316 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:18,332 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,332 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,332 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:18,332 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,333 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,333 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,334 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,335 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,335 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:18,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:18,335 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:18,351 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,351 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,352 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:18,352 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,352 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,352 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,354 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,354 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,354 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:18,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:18,354 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:18,370 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,370 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,370 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:18,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,372 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,372 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,372 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:18,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:18,372 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:18,388 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,388 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,389 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:18,389 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,389 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,389 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,391 - INFO - number of orbitals:  33
-2024-12-09 10:29:18,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,391 - INFO - moving on ...
-2024-12-09 10:29:18,391 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:18,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,393 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,393 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,393 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:18,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:18,393 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:18,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,409 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,409 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:18,409 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,409 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,409 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,411 - INFO - number of orbitals:  45
-2024-12-09 10:29:18,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,411 - INFO - moving on ...
-2024-12-09 10:29:18,411 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:18,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,413 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,413 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:18,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:18,414 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:18,429 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,429 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,430 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:18,430 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,430 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,430 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,432 - INFO - number of orbitals:  42
-2024-12-09 10:29:18,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,432 - INFO - moving on ...
-2024-12-09 10:29:18,432 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:18,432 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:18,432 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:18,432 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,432 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:18,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,433 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,433 - INFO - moving on ...
-2024-12-09 10:29:18,433 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:18,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,435 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,435 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,435 - INFO - moving on ...
-2024-12-09 10:29:18,435 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:18,435 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:18,435 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:18,435 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,435 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:18,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,436 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,436 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,436 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:18,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:18,436 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:18,455 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,455 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,456 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:18,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:18,456 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,456 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:18,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,458 - INFO - number of orbitals:  72
-2024-12-09 10:29:18,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,458 - INFO - moving on ...
-2024-12-09 10:29:18,458 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:18,458 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:18,458 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:18,458 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,458 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:18,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,460 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,460 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,460 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:18,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:18,460 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:18,476 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,477 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,477 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:18,477 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:18,477 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:18,477 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,477 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:18,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,479 - INFO - number of orbitals:  48
-2024-12-09 10:29:18,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,479 - INFO - moving on ...
-2024-12-09 10:29:18,479 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:18,479 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:18,479 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:18,479 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,479 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:18,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,480 - INFO - number of orbitals:  48
-2024-12-09 10:29:18,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,480 - INFO - moving on ...
-2024-12-09 10:29:18,480 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:18,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,481 - INFO - number of orbitals:  116
-2024-12-09 10:29:18,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,482 - INFO - moving on ...
-2024-12-09 10:29:18,482 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:18,482 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:18,482 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:18,482 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,482 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:18,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,483 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,483 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,483 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:18,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:18,483 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:18,499 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,500 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,500 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:18,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:18,500 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,500 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:18,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,501 - INFO - number of orbitals:  79
-2024-12-09 10:29:18,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,501 - INFO - moving on ...
-2024-12-09 10:29:18,501 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:18,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,503 - INFO - number of orbitals:  45
-2024-12-09 10:29:18,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,503 - INFO - moving on ...
-2024-12-09 10:29:18,503 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:18,503 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:18,503 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:18,503 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,503 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:18,503 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,503 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,503 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,505 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,505 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,505 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:18,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:18,505 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:18,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,522 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,522 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:18,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,524 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,524 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,524 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:18,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:18,524 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:18,540 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,540 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,540 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:18,540 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,542 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,543 - INFO - moving on ...
-2024-12-09 10:29:18,543 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:18,543 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,543 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,543 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,544 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,544 - INFO - moving on ...
-2024-12-09 10:29:18,544 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:18,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,546 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,546 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:18,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:18,547 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:18,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,563 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,563 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:18,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,563 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,563 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,565 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,565 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:18,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:18,565 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:18,580 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,581 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,581 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:18,581 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,581 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,581 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,583 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,583 - INFO - moving on ...
-2024-12-09 10:29:18,583 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:18,583 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,583 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,583 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,585 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,585 - INFO - moving on ...
-2024-12-09 10:29:18,585 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:18,585 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,585 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,585 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,587 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,587 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,587 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:18,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:18,587 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:18,603 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,603 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,603 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:18,603 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,605 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,605 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,605 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:18,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:18,605 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:18,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,622 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,622 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:18,622 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,624 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,624 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,624 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,624 - INFO - moving on ...
-2024-12-09 10:29:18,624 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:18,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,626 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,626 - INFO - moving on ...
-2024-12-09 10:29:18,626 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:18,626 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:18,626 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:18,626 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,626 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:18,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,628 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,628 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:18,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:18,628 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:18,643 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,644 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,644 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:18,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:18,644 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,644 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:18,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,645 - INFO - number of orbitals:  55
-2024-12-09 10:29:18,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,645 - INFO - moving on ...
-2024-12-09 10:29:18,645 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:18,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,647 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,647 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,647 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:18,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:18,647 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:18,663 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,664 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,664 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:18,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:18,664 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,664 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:18,664 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:18,664 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:18,665 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,665 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:18,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,666 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,666 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:18,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:18,666 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:18,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,683 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,683 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:18,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:18,683 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,683 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:18,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,684 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,684 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,684 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,684 - INFO - moving on ...
-2024-12-09 10:29:18,685 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:18,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,686 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,686 - INFO - moving on ...
-2024-12-09 10:29:18,686 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:18,686 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:18,686 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:18,686 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,686 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:18,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,687 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,688 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,688 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:18,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:18,688 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:18,704 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,704 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,704 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:18,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:18,704 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,704 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:18,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,706 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,706 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,706 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,706 - INFO - moving on ...
-2024-12-09 10:29:18,706 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:18,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,707 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,707 - INFO - moving on ...
-2024-12-09 10:29:18,707 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:18,707 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:18,707 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:18,707 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,707 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:18,708 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,709 - INFO - number of orbitals:  45
-2024-12-09 10:29:18,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,710 - INFO - moving on ...
-2024-12-09 10:29:18,710 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:18,710 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,710 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,710 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,711 - INFO - number of orbitals:  53
-2024-12-09 10:29:18,711 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,711 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,711 - INFO - moving on ...
-2024-12-09 10:29:18,711 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:18,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,713 - INFO - number of orbitals:  58
-2024-12-09 10:29:18,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,713 - INFO - moving on ...
-2024-12-09 10:29:18,713 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:18,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,713 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,713 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,715 - INFO - number of orbitals:  44
-2024-12-09 10:29:18,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,715 - INFO - moving on ...
-2024-12-09 10:29:18,715 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:18,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,717 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,717 - INFO - moving on ...
-2024-12-09 10:29:18,717 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:18,717 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,717 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,717 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,719 - INFO - number of orbitals:  55
-2024-12-09 10:29:18,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,719 - INFO - moving on ...
-2024-12-09 10:29:18,719 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:18,719 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,719 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,719 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,721 - INFO - number of orbitals:  44
-2024-12-09 10:29:18,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,721 - INFO - moving on ...
-2024-12-09 10:29:18,721 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:18,721 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,721 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,721 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,722 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,723 - INFO - moving on ...
-2024-12-09 10:29:18,723 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:18,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,724 - INFO - number of orbitals:  55
-2024-12-09 10:29:18,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,725 - INFO - moving on ...
-2024-12-09 10:29:18,725 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:18,725 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:18,725 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:18,725 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,725 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:18,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,726 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,726 - INFO - moving on ...
-2024-12-09 10:29:18,726 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:18,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,727 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,727 - INFO - moving on ...
-2024-12-09 10:29:18,727 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:18,728 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:18,728 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:18,728 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,728 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:18,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,729 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,729 - INFO - moving on ...
-2024-12-09 10:29:18,729 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:18,729 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:18,729 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:18,729 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,729 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:18,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,730 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,730 - INFO - moving on ...
-2024-12-09 10:29:18,730 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:18,731 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:18,731 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:18,731 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,731 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:18,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,732 - INFO - number of orbitals:  33
-2024-12-09 10:29:18,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,732 - INFO - moving on ...
-2024-12-09 10:29:18,732 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:18,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,734 - INFO - number of orbitals:  74
-2024-12-09 10:29:18,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,734 - INFO - moving on ...
-2024-12-09 10:29:18,734 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:18,734 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:18,734 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:18,734 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,734 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:18,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,735 - INFO - number of orbitals:  38
-2024-12-09 10:29:18,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,735 - INFO - moving on ...
-2024-12-09 10:29:18,735 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:18,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,737 - INFO - number of orbitals:  90
-2024-12-09 10:29:18,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,737 - INFO - moving on ...
-2024-12-09 10:29:18,737 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:18,737 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:18,737 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:18,737 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,737 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:18,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,738 - INFO - number of orbitals:  69
-2024-12-09 10:29:18,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,738 - INFO - moving on ...
-2024-12-09 10:29:18,738 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:18,739 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:18,739 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:18,739 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,739 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:18,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,740 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,740 - INFO - moving on ...
-2024-12-09 10:29:18,740 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:18,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,741 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,741 - INFO - moving on ...
-2024-12-09 10:29:18,741 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:18,741 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:18,741 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:18,741 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,741 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:18,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,743 - INFO - number of orbitals:  47
-2024-12-09 10:29:18,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,743 - INFO - moving on ...
-2024-12-09 10:29:18,743 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:18,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,744 - INFO - number of orbitals:  106
-2024-12-09 10:29:18,744 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,744 - INFO - moving on ...
-2024-12-09 10:29:18,744 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:18,744 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:18,744 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:18,744 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,744 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:18,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,745 - INFO - number of orbitals:  36
-2024-12-09 10:29:18,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,746 - INFO - moving on ...
-2024-12-09 10:29:18,746 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:18,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,747 - INFO - number of orbitals:  118
-2024-12-09 10:29:18,747 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,747 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,747 - INFO - moving on ...
-2024-12-09 10:29:18,747 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:18,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,748 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,748 - INFO - moving on ...
-2024-12-09 10:29:18,748 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:18,748 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:18,748 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:18,748 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,748 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:18,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,750 - INFO - number of orbitals:  32
-2024-12-09 10:29:18,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,750 - INFO - moving on ...
-2024-12-09 10:29:18,750 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:18,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,751 - INFO - number of orbitals:  114
-2024-12-09 10:29:18,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,751 - INFO - moving on ...
-2024-12-09 10:29:18,751 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:18,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,752 - INFO - number of orbitals:  64
-2024-12-09 10:29:18,752 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,752 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,752 - INFO - moving on ...
-2024-12-09 10:29:18,752 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:18,753 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:18,753 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:18,753 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,753 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:18,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,754 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,754 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,754 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:18,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:18,754 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:18,770 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,770 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,771 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:18,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:18,771 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,771 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:18,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,772 - INFO - number of orbitals:  115
-2024-12-09 10:29:18,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,772 - INFO - moving on ...
-2024-12-09 10:29:18,772 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:18,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,773 - INFO - number of orbitals:  58
-2024-12-09 10:29:18,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,774 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,774 - INFO - moving on ...
-2024-12-09 10:29:18,774 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:18,774 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:18,774 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:18,774 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,774 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:18,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,775 - INFO - number of orbitals:  37
-2024-12-09 10:29:18,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,775 - INFO - moving on ...
-2024-12-09 10:29:18,775 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:18,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,776 - INFO - number of orbitals:  78
-2024-12-09 10:29:18,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,777 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,777 - INFO - moving on ...
-2024-12-09 10:29:18,777 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:18,777 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:18,777 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:18,777 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,777 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:18,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,778 - INFO - number of orbitals:  58
-2024-12-09 10:29:18,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,778 - INFO - moving on ...
-2024-12-09 10:29:18,778 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:18,778 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:18,778 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:18,778 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,778 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:18,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,780 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,780 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,780 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:18,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:18,780 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:18,798 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,798 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,798 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:18,798 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:18,798 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:18,798 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,799 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:18,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,800 - INFO - number of orbitals:  34
-2024-12-09 10:29:18,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,800 - INFO - moving on ...
-2024-12-09 10:29:18,800 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:18,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,802 - INFO - number of orbitals:  86
-2024-12-09 10:29:18,802 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,802 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,802 - INFO - moving on ...
-2024-12-09 10:29:18,802 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:18,802 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:18,802 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:18,802 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,802 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:18,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,803 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,803 - INFO - moving on ...
-2024-12-09 10:29:18,803 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:18,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,805 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,805 - INFO - moving on ...
-2024-12-09 10:29:18,805 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:18,805 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:18,805 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:18,805 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,805 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:18,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,806 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,806 - INFO - moving on ...
-2024-12-09 10:29:18,806 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:18,806 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:18,806 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:18,806 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,807 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:18,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,808 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,808 - INFO - moving on ...
-2024-12-09 10:29:18,808 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:18,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,809 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,809 - INFO - moving on ...
-2024-12-09 10:29:18,809 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:18,809 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:18,809 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:18,809 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,810 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:18,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,811 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,811 - INFO - moving on ...
-2024-12-09 10:29:18,811 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:18,811 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:18,811 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:18,811 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,811 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:18,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,812 - INFO - number of orbitals:  69
-2024-12-09 10:29:18,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,812 - INFO - moving on ...
-2024-12-09 10:29:18,812 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:18,813 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:18,813 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:18,813 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,813 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:18,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,814 - INFO - number of orbitals:  48
-2024-12-09 10:29:18,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,814 - INFO - moving on ...
-2024-12-09 10:29:18,814 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:18,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,815 - INFO - number of orbitals:  116
-2024-12-09 10:29:18,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,815 - INFO - moving on ...
-2024-12-09 10:29:18,815 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:18,815 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:18,816 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:18,816 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,816 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:18,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,817 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,817 - INFO - moving on ...
-2024-12-09 10:29:18,817 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:18,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,818 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,818 - INFO - moving on ...
-2024-12-09 10:29:18,818 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:18,818 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:18,819 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:18,819 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,819 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:18,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,820 - INFO - number of orbitals:  38
-2024-12-09 10:29:18,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,820 - INFO - moving on ...
-2024-12-09 10:29:18,820 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:18,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,821 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,821 - INFO - moving on ...
-2024-12-09 10:29:18,821 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:18,821 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:18,821 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:18,822 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,822 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:18,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,823 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,823 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,823 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:18,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:18,823 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:18,839 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,839 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,839 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:18,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:18,839 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,839 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:18,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,841 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,841 - INFO - moving on ...
-2024-12-09 10:29:18,841 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:18,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,842 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,842 - INFO - moving on ...
-2024-12-09 10:29:18,842 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:18,842 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:18,842 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:18,842 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,842 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:18,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,844 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,844 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,844 - INFO - moving on ...
-2024-12-09 10:29:18,844 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:18,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,845 - INFO - number of orbitals:  135
-2024-12-09 10:29:18,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,845 - INFO - moving on ...
-2024-12-09 10:29:18,845 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:18,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,846 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,846 - INFO - moving on ...
-2024-12-09 10:29:18,846 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:18,847 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:18,847 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:18,847 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,847 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:18,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,848 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,848 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,848 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:18,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:18,848 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:18,864 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,864 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,864 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:18,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:18,864 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,864 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:18,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,866 - INFO - number of orbitals:  119
-2024-12-09 10:29:18,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,866 - INFO - moving on ...
-2024-12-09 10:29:18,866 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:18,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,867 - INFO - number of orbitals:  62
-2024-12-09 10:29:18,867 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,867 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,867 - INFO - moving on ...
-2024-12-09 10:29:18,867 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:18,867 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:18,867 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:18,867 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,867 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:18,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,869 - INFO - number of orbitals:  32
-2024-12-09 10:29:18,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,869 - INFO - moving on ...
-2024-12-09 10:29:18,869 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:18,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,870 - INFO - number of orbitals:  64
-2024-12-09 10:29:18,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,870 - INFO - moving on ...
-2024-12-09 10:29:18,870 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:18,870 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:18,870 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:18,870 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,870 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:18,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,871 - INFO - number of orbitals:  52
-2024-12-09 10:29:18,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,871 - INFO - moving on ...
-2024-12-09 10:29:18,871 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:18,872 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:18,872 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:18,872 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,872 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:18,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,873 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,873 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,873 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:18,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:18,873 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:18,889 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,889 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,889 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:18,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:18,889 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,889 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:18,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,891 - INFO - number of orbitals:  89
-2024-12-09 10:29:18,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,891 - INFO - moving on ...
-2024-12-09 10:29:18,891 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:18,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,892 - INFO - number of orbitals:  48
-2024-12-09 10:29:18,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,892 - INFO - moving on ...
-2024-12-09 10:29:18,892 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:18,893 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:18,893 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:18,893 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,893 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:18,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,894 - INFO - number of orbitals:  46
-2024-12-09 10:29:18,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,894 - INFO - moving on ...
-2024-12-09 10:29:18,894 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:18,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,895 - INFO - number of orbitals:  94
-2024-12-09 10:29:18,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,895 - INFO - moving on ...
-2024-12-09 10:29:18,895 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:18,896 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:18,896 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:18,896 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,896 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:18,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,897 - INFO - number of orbitals:  70
-2024-12-09 10:29:18,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,897 - INFO - moving on ...
-2024-12-09 10:29:18,897 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:18,897 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:18,897 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:18,897 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,897 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:18,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,898 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,898 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:18,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:18,899 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:18,914 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,914 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,915 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:18,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:18,915 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,915 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:18,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,916 - INFO - number of orbitals:  79
-2024-12-09 10:29:18,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,916 - INFO - moving on ...
-2024-12-09 10:29:18,916 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:18,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,918 - INFO - number of orbitals:  45
-2024-12-09 10:29:18,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,918 - INFO - moving on ...
-2024-12-09 10:29:18,918 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:18,918 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:18,918 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:18,918 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,918 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:18,918 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,918 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,918 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,920 - INFO - number of orbitals:  42
-2024-12-09 10:29:18,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,920 - INFO - moving on ...
-2024-12-09 10:29:18,920 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:18,920 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,920 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,920 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,922 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,922 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,922 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:18,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:18,922 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:18,938 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,938 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,938 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:18,938 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,939 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,939 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,940 - INFO - number of orbitals:  90
-2024-12-09 10:29:18,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,941 - INFO - moving on ...
-2024-12-09 10:29:18,941 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:18,941 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,941 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,941 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,942 - INFO - number of orbitals:  42
-2024-12-09 10:29:18,942 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,942 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,943 - INFO - moving on ...
-2024-12-09 10:29:18,943 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:18,943 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,943 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,943 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,944 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,944 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,944 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:18,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:18,944 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:18,959 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,960 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,960 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:18,960 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,960 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,960 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,962 - INFO - number of orbitals:  90
-2024-12-09 10:29:18,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,962 - INFO - moving on ...
-2024-12-09 10:29:18,962 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:18,962 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:18,962 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:18,962 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,962 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:18,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,963 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,963 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,964 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:18,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:18,964 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:18,979 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,979 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,979 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:18,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:18,979 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,979 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:18,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,981 - INFO - number of orbitals:  115
-2024-12-09 10:29:18,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,981 - INFO - moving on ...
-2024-12-09 10:29:18,981 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:18,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,982 - INFO - number of orbitals:  58
-2024-12-09 10:29:18,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,982 - INFO - moving on ...
-2024-12-09 10:29:18,982 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:18,982 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:18,982 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:18,982 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,982 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:18,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,983 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,983 - INFO - moving on ...
-2024-12-09 10:29:18,984 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:18,984 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:18,984 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:18,984 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,984 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:18,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,985 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,985 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,985 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:18,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:18,985 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:19,000 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,000 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,000 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:19,001 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:19,001 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:19,001 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,001 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:19,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,003 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,003 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,003 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:19,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:19,003 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:19,019 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,020 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,020 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:19,020 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,020 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,020 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,022 - INFO - number of orbitals:  34
-2024-12-09 10:29:19,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,022 - INFO - moving on ...
-2024-12-09 10:29:19,022 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:19,022 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,022 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,023 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,024 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,024 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,024 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:19,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:19,025 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,041 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,041 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,042 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:19,042 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,042 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,042 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,044 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,044 - INFO - moving on ...
-2024-12-09 10:29:19,044 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:19,044 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,044 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,046 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,046 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,046 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:19,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:19,046 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:19,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,063 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,063 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:19,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,065 - INFO - number of orbitals:  34
-2024-12-09 10:29:19,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,066 - INFO - moving on ...
-2024-12-09 10:29:19,066 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:19,066 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:19,066 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:19,066 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,066 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:19,066 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,066 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,066 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,068 - INFO - number of orbitals:  69
-2024-12-09 10:29:19,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,068 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,068 - INFO - moving on ...
-2024-12-09 10:29:19,068 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:19,068 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,068 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,068 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,070 - INFO - number of orbitals:  70
-2024-12-09 10:29:19,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,070 - INFO - moving on ...
-2024-12-09 10:29:19,070 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:19,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,072 - INFO - number of orbitals:  69
-2024-12-09 10:29:19,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,072 - INFO - moving on ...
-2024-12-09 10:29:19,072 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:19,072 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:19,072 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:19,072 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,072 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:19,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,073 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,074 - INFO - moving on ...
-2024-12-09 10:29:19,074 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:19,074 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:19,074 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:19,074 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,074 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:19,074 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,074 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,074 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,076 - INFO - number of orbitals:  55
-2024-12-09 10:29:19,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,076 - INFO - moving on ...
-2024-12-09 10:29:19,076 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:19,076 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,076 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,076 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,078 - INFO - number of orbitals:  70
-2024-12-09 10:29:19,078 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,078 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,078 - INFO - moving on ...
-2024-12-09 10:29:19,078 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:19,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,079 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,080 - INFO - number of orbitals:  55
-2024-12-09 10:29:19,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,080 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,080 - INFO - moving on ...
-2024-12-09 10:29:19,080 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:19,080 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,080 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,080 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,082 - INFO - number of orbitals:  69
-2024-12-09 10:29:19,082 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,082 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,082 - INFO - moving on ...
-2024-12-09 10:29:19,082 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:19,082 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,082 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,082 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,084 - INFO - number of orbitals:  31
-2024-12-09 10:29:19,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,084 - INFO - moving on ...
-2024-12-09 10:29:19,084 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:19,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,086 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,086 - INFO - moving on ...
-2024-12-09 10:29:19,086 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:19,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,086 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,088 - INFO - number of orbitals:  55
-2024-12-09 10:29:19,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,088 - INFO - moving on ...
-2024-12-09 10:29:19,088 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:19,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,090 - INFO - number of orbitals:  69
-2024-12-09 10:29:19,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,090 - INFO - moving on ...
-2024-12-09 10:29:19,090 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:19,090 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,090 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,090 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,091 - INFO - number of orbitals:  31
-2024-12-09 10:29:19,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,091 - INFO - moving on ...
-2024-12-09 10:29:19,091 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:19,092 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,092 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,092 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,093 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,093 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,093 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,093 - INFO - moving on ...
-2024-12-09 10:29:19,093 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:19,093 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,093 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,093 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,095 - INFO - number of orbitals:  31
-2024-12-09 10:29:19,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,095 - INFO - moving on ...
-2024-12-09 10:29:19,095 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:19,095 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,095 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,095 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,097 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,097 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,097 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,097 - INFO - moving on ...
-2024-12-09 10:29:19,097 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:19,097 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,097 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,097 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,099 - INFO - number of orbitals:  31
-2024-12-09 10:29:19,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,099 - INFO - moving on ...
-2024-12-09 10:29:19,099 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:19,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,100 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,101 - INFO - moving on ...
-2024-12-09 10:29:19,101 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:19,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,102 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,102 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,102 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:19,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:19,102 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:19,118 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,118 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,118 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:19,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,120 - INFO - number of orbitals:  39
-2024-12-09 10:29:19,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,120 - INFO - moving on ...
-2024-12-09 10:29:19,120 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:19,120 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:19,120 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:19,121 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,121 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:19,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,122 - INFO - number of orbitals:  42
-2024-12-09 10:29:19,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,122 - INFO - moving on ...
-2024-12-09 10:29:19,122 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:19,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,123 - INFO - number of orbitals:  90
-2024-12-09 10:29:19,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,123 - INFO - moving on ...
-2024-12-09 10:29:19,123 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:19,123 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:19,124 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:19,124 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,124 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:19,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,125 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,125 - INFO - moving on ...
-2024-12-09 10:29:19,125 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:19,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,126 - INFO - number of orbitals:  118
-2024-12-09 10:29:19,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,126 - INFO - moving on ...
-2024-12-09 10:29:19,126 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:19,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,128 - INFO - number of orbitals:  68
-2024-12-09 10:29:19,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,128 - INFO - moving on ...
-2024-12-09 10:29:19,128 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:19,128 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:19,128 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:19,128 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,128 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:19,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,129 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,129 - INFO - moving on ...
-2024-12-09 10:29:19,129 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:19,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,130 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,131 - INFO - moving on ...
-2024-12-09 10:29:19,131 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:19,131 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:19,131 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:19,131 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,131 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:19,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,132 - INFO - number of orbitals:  66
-2024-12-09 10:29:19,132 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,132 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,132 - INFO - moving on ...
-2024-12-09 10:29:19,132 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:19,133 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:19,133 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:19,133 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,133 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:19,133 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,133 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,133 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,134 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,135 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,135 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:19,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:19,135 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:19,150 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,150 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,150 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:19,150 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,151 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,151 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,152 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,152 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,153 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:19,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:19,153 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:19,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,169 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,169 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:19,169 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,169 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,169 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,171 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,171 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,171 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:19,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:19,171 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,187 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,187 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:19,187 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,190 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,190 - INFO - moving on ...
-2024-12-09 10:29:19,190 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:19,190 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,190 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,190 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,192 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,192 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,192 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:19,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:19,192 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:19,208 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,209 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,209 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:19,209 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,209 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,209 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,211 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,211 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,211 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:19,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:19,211 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:19,228 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,228 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,228 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:19,228 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,228 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,228 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,230 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,230 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,230 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:19,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:19,230 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:19,246 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,247 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,247 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:19,247 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,247 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,247 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,249 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,249 - INFO - moving on ...
-2024-12-09 10:29:19,249 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:19,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,251 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,251 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,251 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:19,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:19,251 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:19,267 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,267 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,267 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:19,267 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,267 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,268 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,269 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,269 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,269 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:19,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:19,270 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:19,285 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,285 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,285 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:19,285 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,285 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,285 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,287 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,287 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,287 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:19,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:19,287 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,303 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,303 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,303 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:19,303 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,303 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,303 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,305 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,305 - INFO - moving on ...
-2024-12-09 10:29:19,306 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:19,306 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:19,306 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:19,306 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,306 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:19,306 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,306 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,306 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,308 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,308 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,308 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:19,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:19,308 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:19,324 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,324 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,324 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:19,325 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,325 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,325 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,327 - INFO - number of orbitals:  108
-2024-12-09 10:29:19,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,327 - INFO - moving on ...
-2024-12-09 10:29:19,327 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:19,328 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:19,328 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:19,328 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,328 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:19,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,329 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,330 - INFO - moving on ...
-2024-12-09 10:29:19,330 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:19,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,332 - INFO - number of orbitals:  135
-2024-12-09 10:29:19,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,332 - INFO - moving on ...
-2024-12-09 10:29:19,332 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:19,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,334 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,334 - INFO - moving on ...
-2024-12-09 10:29:19,334 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:19,334 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:19,334 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:19,334 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,334 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:19,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,336 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,336 - INFO - moving on ...
-2024-12-09 10:29:19,336 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:19,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,338 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,338 - INFO - moving on ...
-2024-12-09 10:29:19,338 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:19,338 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:19,338 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:19,338 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,339 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:19,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,340 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,340 - INFO - moving on ...
-2024-12-09 10:29:19,340 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:19,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,342 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,342 - INFO - moving on ...
-2024-12-09 10:29:19,342 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:19,342 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:19,343 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:19,343 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,343 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:19,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,344 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,344 - INFO - moving on ...
-2024-12-09 10:29:19,344 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:19,344 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:19,344 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:19,344 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,344 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:19,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,345 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,346 - INFO - moving on ...
-2024-12-09 10:29:19,346 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:19,346 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:19,346 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:19,346 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,346 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:19,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,347 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,347 - INFO - moving on ...
-2024-12-09 10:29:19,347 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:19,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,349 - INFO - number of orbitals:  118
-2024-12-09 10:29:19,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,349 - INFO - moving on ...
-2024-12-09 10:29:19,349 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:19,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,351 - INFO - number of orbitals:  68
-2024-12-09 10:29:19,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,351 - INFO - moving on ...
-2024-12-09 10:29:19,351 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:19,351 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:19,351 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:19,351 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,351 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:19,351 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,352 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,352 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,353 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,353 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,354 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:19,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:19,354 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,369 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,370 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,370 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:19,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,372 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,372 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,372 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:19,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:19,372 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:19,387 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,388 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,388 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:19,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,390 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,390 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:19,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:19,390 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:19,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,407 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,407 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:19,407 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,407 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,407 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,409 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,409 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:19,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:19,409 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,425 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,426 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,426 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:19,426 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,426 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,426 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,428 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,428 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:19,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:19,428 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:19,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,444 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,445 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:19,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,446 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,447 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,447 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:19,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:19,447 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:19,462 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,462 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,462 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:19,462 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,462 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,462 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,464 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,464 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,464 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:19,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:19,464 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:19,480 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,480 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,480 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:19,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,482 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,482 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,483 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:19,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:19,483 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:19,498 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,499 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,499 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:19,499 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:19,499 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:19,499 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,499 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:19,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,500 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,500 - INFO - moving on ...
-2024-12-09 10:29:19,500 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:19,501 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:19,501 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:19,501 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,501 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:19,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,502 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,502 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:19,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:19,502 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:19,518 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,519 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,519 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:19,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:19,519 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,519 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:19,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,520 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,520 - INFO - moving on ...
-2024-12-09 10:29:19,520 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:19,521 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:19,521 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:19,521 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,521 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:19,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,522 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,522 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,522 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:19,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:19,522 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:19,538 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,539 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,539 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:19,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:19,539 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,539 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:19,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,540 - INFO - number of orbitals:  119
-2024-12-09 10:29:19,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,540 - INFO - moving on ...
-2024-12-09 10:29:19,540 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:19,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,542 - INFO - number of orbitals:  62
-2024-12-09 10:29:19,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,542 - INFO - moving on ...
-2024-12-09 10:29:19,542 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:19,542 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:19,542 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:19,542 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,542 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:19,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,543 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,543 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,543 - INFO - moving on ...
-2024-12-09 10:29:19,543 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:19,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,545 - INFO - number of orbitals:  135
-2024-12-09 10:29:19,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,545 - INFO - moving on ...
-2024-12-09 10:29:19,545 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:19,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,547 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,547 - INFO - moving on ...
-2024-12-09 10:29:19,547 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:19,547 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:19,547 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:19,547 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,547 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:19,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,549 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,549 - INFO - moving on ...
-2024-12-09 10:29:19,549 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:19,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,550 - INFO - number of orbitals:  118
-2024-12-09 10:29:19,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,550 - INFO - moving on ...
-2024-12-09 10:29:19,550 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:19,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,552 - INFO - number of orbitals:  68
-2024-12-09 10:29:19,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,552 - INFO - moving on ...
-2024-12-09 10:29:19,552 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:19,552 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:19,552 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:19,552 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,552 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:19,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,554 - INFO - number of orbitals:  38
-2024-12-09 10:29:19,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,554 - INFO - moving on ...
-2024-12-09 10:29:19,554 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:19,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,556 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,556 - INFO - moving on ...
-2024-12-09 10:29:19,556 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:19,556 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:19,556 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:19,556 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,556 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:19,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,558 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,558 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,558 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:19,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:19,558 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:19,574 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,574 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,575 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:19,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:19,575 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,575 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:19,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,576 - INFO - number of orbitals:  110
-2024-12-09 10:29:19,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,576 - INFO - moving on ...
-2024-12-09 10:29:19,576 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:19,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,577 - INFO - number of orbitals:  60
-2024-12-09 10:29:19,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,578 - INFO - moving on ...
-2024-12-09 10:29:19,578 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:19,578 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:19,578 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:19,578 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,578 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:19,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,579 - INFO - number of orbitals:  38
-2024-12-09 10:29:19,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,579 - INFO - moving on ...
-2024-12-09 10:29:19,579 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:19,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,580 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,580 - INFO - moving on ...
-2024-12-09 10:29:19,580 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:19,581 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:19,581 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:19,581 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,581 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:19,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,582 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,582 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:19,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:19,582 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:19,598 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,598 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,598 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:19,598 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:19,598 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:19,598 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,598 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:19,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,600 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,600 - INFO - moving on ...
-2024-12-09 10:29:19,600 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:19,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,601 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,601 - INFO - moving on ...
-2024-12-09 10:29:19,601 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:19,601 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:19,601 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:19,602 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,602 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:19,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,603 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,603 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,603 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:19,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:19,603 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:19,618 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,619 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,619 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:19,619 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:19,619 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:19,619 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,619 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:19,619 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,619 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,619 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,621 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,621 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,621 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:19,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:19,621 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:19,637 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,638 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,638 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:19,638 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,638 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,638 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,640 - INFO - number of orbitals:  46
-2024-12-09 10:29:19,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,640 - INFO - moving on ...
-2024-12-09 10:29:19,640 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:19,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,642 - INFO - number of orbitals:  46
-2024-12-09 10:29:19,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,642 - INFO - moving on ...
-2024-12-09 10:29:19,642 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:19,642 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,644 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,645 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,645 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:19,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:19,645 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:19,660 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,661 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,661 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:19,661 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:19,661 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:19,661 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,661 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:19,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,662 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,663 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,663 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:19,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:19,663 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:19,678 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,679 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,679 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:19,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:19,679 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,679 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:19,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,681 - INFO - number of orbitals:  85
-2024-12-09 10:29:19,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,681 - INFO - moving on ...
-2024-12-09 10:29:19,681 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:19,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,682 - INFO - number of orbitals:  44
-2024-12-09 10:29:19,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,682 - INFO - moving on ...
-2024-12-09 10:29:19,682 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:19,682 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:19,682 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:19,682 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,683 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:19,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,684 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,684 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,684 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:19,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:19,684 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,700 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,700 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,700 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:19,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:19,700 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,700 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:19,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,702 - INFO - number of orbitals:  110
-2024-12-09 10:29:19,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,702 - INFO - moving on ...
-2024-12-09 10:29:19,702 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:19,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,703 - INFO - number of orbitals:  60
-2024-12-09 10:29:19,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,704 - INFO - moving on ...
-2024-12-09 10:29:19,704 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:19,704 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:19,704 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:19,704 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,704 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:19,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,705 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,705 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:19,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:19,705 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:19,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,722 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,722 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:19,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:19,722 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,722 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:19,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,723 - INFO - number of orbitals:  85
-2024-12-09 10:29:19,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,724 - INFO - moving on ...
-2024-12-09 10:29:19,724 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:19,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,725 - INFO - number of orbitals:  44
-2024-12-09 10:29:19,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,725 - INFO - moving on ...
-2024-12-09 10:29:19,725 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:19,725 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:19,725 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:19,725 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,725 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:19,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,726 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,726 - INFO - moving on ...
-2024-12-09 10:29:19,726 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:19,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,728 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,728 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,728 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,728 - INFO - moving on ...
-2024-12-09 10:29:19,728 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:19,728 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:19,728 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:19,728 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,728 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:19,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,729 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,729 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:19,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:19,729 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:19,745 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,746 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,746 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:19,746 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:19,746 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:19,746 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,746 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:19,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,748 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,748 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,748 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:19,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:19,748 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:19,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,765 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,765 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:19,765 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,767 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,767 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,767 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:19,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:19,767 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:19,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,784 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,784 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:19,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,786 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,786 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,786 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:19,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:19,786 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:19,803 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,803 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,804 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:19,804 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,804 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,804 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,806 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,806 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,806 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:19,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:19,806 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:19,822 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,823 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,823 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:19,823 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,823 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,823 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,825 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,825 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,825 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:19,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:19,825 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:19,844 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,845 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,845 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:19,845 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,845 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,848 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,848 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,848 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:19,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:19,848 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:19,870 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,870 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,870 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:19,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,872 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,873 - INFO - moving on ...
-2024-12-09 10:29:19,873 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:19,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,875 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:19,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:19,875 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:19,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,891 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,891 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:19,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,894 - INFO - number of orbitals:  42
-2024-12-09 10:29:19,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,894 - INFO - moving on ...
-2024-12-09 10:29:19,894 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:19,894 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:19,894 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:19,894 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,894 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:19,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,895 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,895 - INFO - moving on ...
-2024-12-09 10:29:19,895 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:19,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,897 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,897 - INFO - moving on ...
-2024-12-09 10:29:19,897 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:19,897 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:19,897 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:19,897 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,897 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:19,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,899 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,899 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:19,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:19,899 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:19,922 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,922 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,922 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:19,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:19,923 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,923 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:19,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,925 - INFO - number of orbitals:  72
-2024-12-09 10:29:19,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,925 - INFO - moving on ...
-2024-12-09 10:29:19,925 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:19,925 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:19,925 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:19,925 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,925 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:19,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,927 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,927 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:19,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:19,927 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:19,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,951 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,951 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:19,951 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:19,951 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:19,951 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,951 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:19,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,953 - INFO - number of orbitals:  48
-2024-12-09 10:29:19,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,954 - INFO - moving on ...
-2024-12-09 10:29:19,954 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:19,954 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:19,954 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:19,954 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,954 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:19,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,956 - INFO - number of orbitals:  48
-2024-12-09 10:29:19,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,956 - INFO - moving on ...
-2024-12-09 10:29:19,956 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:19,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,958 - INFO - number of orbitals:  116
-2024-12-09 10:29:19,958 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,958 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,958 - INFO - moving on ...
-2024-12-09 10:29:19,958 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:19,958 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:19,958 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:19,958 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,958 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:19,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,960 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,960 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,960 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:19,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:19,960 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:19,983 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,983 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,983 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:19,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:19,984 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,984 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:19,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,986 - INFO - number of orbitals:  79
-2024-12-09 10:29:19,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,986 - INFO - moving on ...
-2024-12-09 10:29:19,986 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:19,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,988 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,988 - INFO - moving on ...
-2024-12-09 10:29:19,988 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:19,988 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:19,988 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:19,988 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,988 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:19,989 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,989 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,989 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,991 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,991 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,991 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:19,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:19,991 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,015 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,015 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,015 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:20,015 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,016 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,016 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,018 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,018 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,018 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:20,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:20,019 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:20,042 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,043 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,043 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:20,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,043 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,043 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,046 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,046 - INFO - moving on ...
-2024-12-09 10:29:20,046 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:20,047 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,047 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,047 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,049 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,050 - INFO - moving on ...
-2024-12-09 10:29:20,050 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:20,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,053 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,053 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:20,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:20,053 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:20,077 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,078 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,078 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:20,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,078 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,081 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,081 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,081 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:20,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:20,081 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:20,103 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,103 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,103 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:20,103 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,103 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,103 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,105 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,106 - INFO - moving on ...
-2024-12-09 10:29:20,106 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:20,106 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,106 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,106 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,107 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,108 - INFO - moving on ...
-2024-12-09 10:29:20,108 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:20,108 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,108 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,108 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,109 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,110 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,110 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:20,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:20,110 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:20,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,126 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,126 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:20,126 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,129 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,129 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:20,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:20,129 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:20,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,145 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,145 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:20,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,146 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,146 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,147 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,148 - INFO - moving on ...
-2024-12-09 10:29:20,148 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:20,148 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,148 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,148 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,150 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,150 - INFO - moving on ...
-2024-12-09 10:29:20,150 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:20,150 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:20,150 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:20,150 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,150 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:20,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,151 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,151 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:20,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:20,151 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:20,167 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,168 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,168 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:20,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:20,168 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,168 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:20,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,169 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,169 - INFO - moving on ...
-2024-12-09 10:29:20,169 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:20,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,171 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,171 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,171 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:20,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:20,171 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:20,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,187 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,187 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:20,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:20,188 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,188 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:20,188 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:20,188 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:20,188 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,188 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:20,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,189 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,190 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:20,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:20,190 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:20,206 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,206 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,206 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:20,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:20,207 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,207 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:20,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,208 - INFO - number of orbitals:  110
-2024-12-09 10:29:20,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,208 - INFO - moving on ...
-2024-12-09 10:29:20,208 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:20,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,209 - INFO - number of orbitals:  60
-2024-12-09 10:29:20,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,210 - INFO - moving on ...
-2024-12-09 10:29:20,210 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:20,210 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:20,210 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:20,210 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,210 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:20,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,211 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,211 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,211 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:20,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:20,211 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:20,228 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,228 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,228 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:20,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:20,228 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,228 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:20,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,230 - INFO - number of orbitals:  110
-2024-12-09 10:29:20,230 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,230 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,230 - INFO - moving on ...
-2024-12-09 10:29:20,230 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:20,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,231 - INFO - number of orbitals:  60
-2024-12-09 10:29:20,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,231 - INFO - moving on ...
-2024-12-09 10:29:20,231 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:20,232 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:20,232 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:20,232 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,232 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:20,232 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,232 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,232 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,233 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,234 - INFO - moving on ...
-2024-12-09 10:29:20,234 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:20,234 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,234 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,234 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,235 - INFO - number of orbitals:  53
-2024-12-09 10:29:20,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,236 - INFO - moving on ...
-2024-12-09 10:29:20,236 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:20,236 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,236 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,236 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,237 - INFO - number of orbitals:  58
-2024-12-09 10:29:20,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,238 - INFO - moving on ...
-2024-12-09 10:29:20,238 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:20,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,239 - INFO - number of orbitals:  44
-2024-12-09 10:29:20,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,240 - INFO - moving on ...
-2024-12-09 10:29:20,240 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:20,240 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,240 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,240 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,241 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,242 - INFO - moving on ...
-2024-12-09 10:29:20,242 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:20,242 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,242 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,242 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,243 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,243 - INFO - moving on ...
-2024-12-09 10:29:20,243 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:20,243 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,245 - INFO - number of orbitals:  44
-2024-12-09 10:29:20,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,245 - INFO - moving on ...
-2024-12-09 10:29:20,245 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:20,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,246 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,246 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,247 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,247 - INFO - moving on ...
-2024-12-09 10:29:20,247 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:20,247 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,247 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,247 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,249 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,249 - INFO - moving on ...
-2024-12-09 10:29:20,249 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:20,249 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:20,249 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:20,249 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,249 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:20,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,251 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,251 - INFO - moving on ...
-2024-12-09 10:29:20,251 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:20,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,252 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,252 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,252 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,252 - INFO - moving on ...
-2024-12-09 10:29:20,252 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:20,252 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:20,252 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:20,252 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,252 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:20,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,253 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,254 - INFO - moving on ...
-2024-12-09 10:29:20,254 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:20,254 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:20,254 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:20,254 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,254 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:20,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,255 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,255 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:20,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:20,255 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:20,273 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,273 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,273 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:20,274 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:20,274 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:20,274 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,274 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:20,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,275 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,275 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,275 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:20,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:20,275 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:20,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,291 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,291 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:20,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:20,291 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,291 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:20,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,292 - INFO - number of orbitals:  74
-2024-12-09 10:29:20,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,293 - INFO - moving on ...
-2024-12-09 10:29:20,293 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:20,293 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:20,293 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:20,293 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,293 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:20,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,294 - INFO - number of orbitals:  38
-2024-12-09 10:29:20,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,294 - INFO - moving on ...
-2024-12-09 10:29:20,294 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:20,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,295 - INFO - number of orbitals:  90
-2024-12-09 10:29:20,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,296 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,296 - INFO - moving on ...
-2024-12-09 10:29:20,296 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:20,296 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:20,296 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:20,296 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,296 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:20,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,297 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,297 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,297 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,297 - INFO - moving on ...
-2024-12-09 10:29:20,297 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:20,297 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:20,297 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:20,297 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,297 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:20,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,299 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,299 - INFO - moving on ...
-2024-12-09 10:29:20,299 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:20,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,300 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,300 - INFO - moving on ...
-2024-12-09 10:29:20,300 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:20,300 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:20,300 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:20,300 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,300 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:20,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,301 - INFO - number of orbitals:  47
-2024-12-09 10:29:20,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,302 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,302 - INFO - moving on ...
-2024-12-09 10:29:20,302 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:20,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,303 - INFO - number of orbitals:  106
-2024-12-09 10:29:20,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,303 - INFO - moving on ...
-2024-12-09 10:29:20,303 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:20,303 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:20,303 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:20,303 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,303 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:20,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,304 - INFO - number of orbitals:  36
-2024-12-09 10:29:20,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,304 - INFO - moving on ...
-2024-12-09 10:29:20,304 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:20,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,306 - INFO - number of orbitals:  118
-2024-12-09 10:29:20,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,306 - INFO - moving on ...
-2024-12-09 10:29:20,306 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:20,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,307 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,307 - INFO - moving on ...
-2024-12-09 10:29:20,307 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:20,307 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:20,307 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:20,307 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,307 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:20,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,308 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,308 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,308 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:20,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:20,308 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:20,323 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,323 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,323 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:20,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:20,323 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,323 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:20,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,325 - INFO - number of orbitals:  114
-2024-12-09 10:29:20,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,325 - INFO - moving on ...
-2024-12-09 10:29:20,325 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:20,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,326 - INFO - number of orbitals:  64
-2024-12-09 10:29:20,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,326 - INFO - moving on ...
-2024-12-09 10:29:20,326 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:20,326 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:20,327 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:20,327 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,327 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:20,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,328 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,328 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,328 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:20,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:20,328 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:20,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,344 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,344 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:20,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:20,344 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,344 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:20,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,346 - INFO - number of orbitals:  115
-2024-12-09 10:29:20,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,346 - INFO - moving on ...
-2024-12-09 10:29:20,346 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:20,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,347 - INFO - number of orbitals:  58
-2024-12-09 10:29:20,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,347 - INFO - moving on ...
-2024-12-09 10:29:20,347 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:20,347 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:20,348 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:20,348 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,348 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:20,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,349 - INFO - number of orbitals:  37
-2024-12-09 10:29:20,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,349 - INFO - moving on ...
-2024-12-09 10:29:20,349 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:20,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,350 - INFO - number of orbitals:  78
-2024-12-09 10:29:20,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,350 - INFO - moving on ...
-2024-12-09 10:29:20,350 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:20,350 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:20,351 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:20,351 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,351 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:20,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,352 - INFO - number of orbitals:  58
-2024-12-09 10:29:20,352 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,352 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,352 - INFO - moving on ...
-2024-12-09 10:29:20,352 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:20,352 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:20,352 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:20,352 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,352 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:20,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,353 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,354 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,354 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:20,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:20,354 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:20,369 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,369 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,369 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:20,370 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:20,370 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:20,370 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,370 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:20,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,371 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,371 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,371 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:20,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:20,371 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:20,387 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,387 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,387 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:20,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:20,387 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,387 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:20,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,389 - INFO - number of orbitals:  86
-2024-12-09 10:29:20,389 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,389 - INFO - moving on ...
-2024-12-09 10:29:20,389 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:20,389 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:20,389 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:20,389 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,389 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:20,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,390 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,390 - INFO - moving on ...
-2024-12-09 10:29:20,390 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:20,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,392 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,392 - INFO - moving on ...
-2024-12-09 10:29:20,392 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:20,392 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:20,392 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:20,392 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,392 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:20,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,393 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,393 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,393 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:20,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:20,393 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:20,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,409 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,409 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:20,410 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:20,410 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:20,410 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,410 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:20,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,411 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,411 - INFO - moving on ...
-2024-12-09 10:29:20,411 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:20,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,412 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,413 - INFO - moving on ...
-2024-12-09 10:29:20,413 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:20,413 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:20,413 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:20,413 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,413 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:20,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,414 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,414 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,414 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,414 - INFO - moving on ...
-2024-12-09 10:29:20,414 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:20,414 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:20,414 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:20,414 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,414 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:20,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,416 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,416 - INFO - moving on ...
-2024-12-09 10:29:20,416 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:20,416 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:20,416 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:20,416 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,416 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:20,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,417 - INFO - number of orbitals:  48
-2024-12-09 10:29:20,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,417 - INFO - moving on ...
-2024-12-09 10:29:20,417 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:20,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,419 - INFO - number of orbitals:  116
-2024-12-09 10:29:20,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,419 - INFO - moving on ...
-2024-12-09 10:29:20,419 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:20,419 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:20,419 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:20,419 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,419 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:20,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,420 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,420 - INFO - moving on ...
-2024-12-09 10:29:20,420 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:20,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,421 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,422 - INFO - moving on ...
-2024-12-09 10:29:20,422 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:20,422 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:20,422 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:20,422 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,422 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:20,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,423 - INFO - number of orbitals:  38
-2024-12-09 10:29:20,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,423 - INFO - moving on ...
-2024-12-09 10:29:20,423 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:20,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,424 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,424 - INFO - moving on ...
-2024-12-09 10:29:20,425 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:20,425 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:20,425 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:20,425 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,425 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:20,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,426 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,426 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,426 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:20,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:20,426 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:20,443 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,443 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,443 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:20,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:20,443 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,443 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:20,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,445 - INFO - number of orbitals:  110
-2024-12-09 10:29:20,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,445 - INFO - moving on ...
-2024-12-09 10:29:20,445 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:20,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,446 - INFO - number of orbitals:  60
-2024-12-09 10:29:20,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,446 - INFO - moving on ...
-2024-12-09 10:29:20,446 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:20,447 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:20,447 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:20,447 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,447 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:20,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,448 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,448 - INFO - moving on ...
-2024-12-09 10:29:20,448 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:20,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,449 - INFO - number of orbitals:  135
-2024-12-09 10:29:20,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,449 - INFO - moving on ...
-2024-12-09 10:29:20,449 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:20,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,450 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,451 - INFO - moving on ...
-2024-12-09 10:29:20,451 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:20,451 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:20,451 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:20,451 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,451 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:20,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,452 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,452 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,452 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:20,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:20,452 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:20,467 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,467 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,467 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:20,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:20,468 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,468 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:20,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,469 - INFO - number of orbitals:  119
-2024-12-09 10:29:20,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,469 - INFO - moving on ...
-2024-12-09 10:29:20,469 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:20,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,470 - INFO - number of orbitals:  62
-2024-12-09 10:29:20,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,470 - INFO - moving on ...
-2024-12-09 10:29:20,470 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:20,471 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:20,471 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:20,471 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,471 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:20,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,472 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,472 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,472 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:20,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:20,472 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:20,487 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,488 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,488 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:20,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:20,488 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,488 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:20,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,489 - INFO - number of orbitals:  64
-2024-12-09 10:29:20,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,489 - INFO - moving on ...
-2024-12-09 10:29:20,489 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:20,490 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:20,490 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:20,490 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,490 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:20,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,491 - INFO - number of orbitals:  52
-2024-12-09 10:29:20,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,491 - INFO - moving on ...
-2024-12-09 10:29:20,491 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:20,491 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:20,491 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:20,491 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,491 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:20,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,493 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,493 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,493 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:20,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:20,493 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:20,509 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,509 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,509 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:20,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:20,509 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,509 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:20,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,511 - INFO - number of orbitals:  89
-2024-12-09 10:29:20,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,511 - INFO - moving on ...
-2024-12-09 10:29:20,511 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:20,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,512 - INFO - number of orbitals:  48
-2024-12-09 10:29:20,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,512 - INFO - moving on ...
-2024-12-09 10:29:20,512 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:20,512 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:20,512 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:20,512 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,513 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:20,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,514 - INFO - number of orbitals:  46
-2024-12-09 10:29:20,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,514 - INFO - moving on ...
-2024-12-09 10:29:20,514 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:20,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,515 - INFO - number of orbitals:  94
-2024-12-09 10:29:20,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,515 - INFO - moving on ...
-2024-12-09 10:29:20,515 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:20,515 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:20,515 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:20,515 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,515 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:20,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,517 - INFO - number of orbitals:  70
-2024-12-09 10:29:20,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,517 - INFO - moving on ...
-2024-12-09 10:29:20,517 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:20,517 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:20,517 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:20,517 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,517 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:20,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,518 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,518 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,518 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:20,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:20,519 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:20,536 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,536 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,536 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:20,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:20,536 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,536 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:20,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,538 - INFO - number of orbitals:  79
-2024-12-09 10:29:20,538 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,538 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,538 - INFO - moving on ...
-2024-12-09 10:29:20,538 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:20,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,539 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,540 - INFO - moving on ...
-2024-12-09 10:29:20,540 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:20,540 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:20,540 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:20,540 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,540 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:20,540 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,540 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,540 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,542 - INFO - number of orbitals:  42
-2024-12-09 10:29:20,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,542 - INFO - moving on ...
-2024-12-09 10:29:20,542 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:20,542 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,543 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,543 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,545 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,545 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:20,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:20,545 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:20,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,562 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,562 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:20,562 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,564 - INFO - number of orbitals:  90
-2024-12-09 10:29:20,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,564 - INFO - moving on ...
-2024-12-09 10:29:20,564 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:20,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,566 - INFO - number of orbitals:  42
-2024-12-09 10:29:20,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,567 - INFO - moving on ...
-2024-12-09 10:29:20,567 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:20,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,569 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,569 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,569 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:20,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:20,569 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:20,585 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,586 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,586 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:20,586 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,586 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,586 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,588 - INFO - number of orbitals:  90
-2024-12-09 10:29:20,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,588 - INFO - moving on ...
-2024-12-09 10:29:20,588 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:20,589 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:20,589 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:20,589 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,589 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:20,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,590 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,590 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:20,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:20,590 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:20,606 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,606 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,606 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:20,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:20,606 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,606 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:20,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,608 - INFO - number of orbitals:  115
-2024-12-09 10:29:20,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,608 - INFO - moving on ...
-2024-12-09 10:29:20,608 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:20,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,609 - INFO - number of orbitals:  58
-2024-12-09 10:29:20,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,609 - INFO - moving on ...
-2024-12-09 10:29:20,609 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:20,609 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:20,609 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:20,609 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,609 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:20,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,610 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,611 - INFO - moving on ...
-2024-12-09 10:29:20,611 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:20,611 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:20,611 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:20,611 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,611 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:20,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,612 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:20,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:20,612 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:20,629 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,630 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,630 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:20,630 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:20,630 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:20,630 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,630 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:20,630 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,630 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,632 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,632 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,632 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:20,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:20,633 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:20,650 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,650 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,650 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:20,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,651 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,651 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,653 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,653 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,653 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:20,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:20,653 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:20,670 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,671 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,671 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:20,671 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,671 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,671 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,673 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,674 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,674 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:20,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:20,674 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,690 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,690 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,691 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:20,691 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,691 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,691 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,693 - INFO - number of orbitals:  36
-2024-12-09 10:29:20,693 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,693 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,693 - INFO - moving on ...
-2024-12-09 10:29:20,693 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:20,693 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,693 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,693 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,695 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,695 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,695 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:20,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:20,695 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:20,711 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,712 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,712 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:20,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,714 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,714 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,714 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:20,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:20,714 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,731 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,732 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,732 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:20,732 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:20,732 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:20,732 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,732 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:20,732 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,732 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,732 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,735 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,735 - INFO - moving on ...
-2024-12-09 10:29:20,735 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:20,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,737 - INFO - number of orbitals:  70
-2024-12-09 10:29:20,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,737 - INFO - moving on ...
-2024-12-09 10:29:20,737 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:20,737 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,737 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,737 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,739 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,739 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,739 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,739 - INFO - moving on ...
-2024-12-09 10:29:20,739 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:20,739 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:20,739 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:20,739 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,739 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:20,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,741 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,741 - INFO - moving on ...
-2024-12-09 10:29:20,741 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:20,741 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:20,742 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:20,742 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,742 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:20,742 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,742 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,742 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,743 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,744 - INFO - moving on ...
-2024-12-09 10:29:20,744 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:20,744 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,744 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,744 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,746 - INFO - number of orbitals:  70
-2024-12-09 10:29:20,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,746 - INFO - moving on ...
-2024-12-09 10:29:20,746 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:20,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,748 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,748 - INFO - moving on ...
-2024-12-09 10:29:20,748 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:20,748 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,748 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,748 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,750 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,750 - INFO - moving on ...
-2024-12-09 10:29:20,750 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:20,750 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,750 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,750 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,752 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,752 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,752 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:20,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:20,752 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:20,769 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,769 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,769 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:20,769 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,769 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,769 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,771 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,771 - INFO - moving on ...
-2024-12-09 10:29:20,771 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:20,772 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,772 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,772 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,773 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,773 - INFO - moving on ...
-2024-12-09 10:29:20,774 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:20,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,774 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,774 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,775 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,776 - INFO - moving on ...
-2024-12-09 10:29:20,776 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:20,776 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,776 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,776 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,777 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,777 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:20,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:20,778 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:20,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,794 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,795 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:20,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,797 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,797 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,797 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,797 - INFO - moving on ...
-2024-12-09 10:29:20,797 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:20,797 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,797 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,797 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,799 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,799 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,799 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:20,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:20,799 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:20,815 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,816 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,816 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:20,816 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,816 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,816 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,818 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,818 - INFO - moving on ...
-2024-12-09 10:29:20,818 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:20,818 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,818 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,818 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,820 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,820 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,820 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:20,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:20,820 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:20,837 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,837 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,837 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:20,837 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,837 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,837 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,839 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,839 - INFO - moving on ...
-2024-12-09 10:29:20,839 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:20,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,840 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,840 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,841 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,841 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:20,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:20,841 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:20,858 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,858 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,858 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:20,858 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,858 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,858 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,860 - INFO - number of orbitals:  39
-2024-12-09 10:29:20,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,860 - INFO - moving on ...
-2024-12-09 10:29:20,860 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:20,861 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:20,861 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:20,861 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,861 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:20,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,862 - INFO - number of orbitals:  42
-2024-12-09 10:29:20,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,862 - INFO - moving on ...
-2024-12-09 10:29:20,862 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:20,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,863 - INFO - number of orbitals:  90
-2024-12-09 10:29:20,863 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,863 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,863 - INFO - moving on ...
-2024-12-09 10:29:20,863 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:20,864 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:20,864 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:20,864 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,864 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:20,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,865 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,865 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,865 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:20,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:20,865 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:20,880 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,881 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,881 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:20,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:20,881 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,881 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:20,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,882 - INFO - number of orbitals:  118
-2024-12-09 10:29:20,882 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,882 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,882 - INFO - moving on ...
-2024-12-09 10:29:20,883 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:20,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,884 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,884 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,884 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,884 - INFO - moving on ...
-2024-12-09 10:29:20,884 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:20,884 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:20,884 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:20,884 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,884 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:20,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,885 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,885 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,885 - INFO - moving on ...
-2024-12-09 10:29:20,885 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:20,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,887 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,887 - INFO - moving on ...
-2024-12-09 10:29:20,887 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:20,887 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:20,887 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:20,887 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,887 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:20,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,888 - INFO - number of orbitals:  66
-2024-12-09 10:29:20,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,888 - INFO - moving on ...
-2024-12-09 10:29:20,888 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:20,889 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:20,889 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:20,889 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,889 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:20,889 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,891 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,891 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,891 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:20,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:20,891 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:20,908 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,908 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,908 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:20,908 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,908 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,908 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,910 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,910 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,910 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:20,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:20,910 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:20,926 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,927 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,927 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:20,927 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,927 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,927 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,929 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,929 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,929 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:20,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:20,929 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,945 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,946 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,946 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:20,946 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,946 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,946 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,948 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,948 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,948 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:20,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:20,948 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,963 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,964 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,964 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:20,964 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,964 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,964 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,966 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,966 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:20,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:20,966 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:20,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,982 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,982 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:20,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,984 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,984 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:20,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:20,984 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:21,000 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,001 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,001 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:21,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,003 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,003 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,003 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:21,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:21,003 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:21,019 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,020 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,020 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:21,020 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,020 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,020 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,022 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,022 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,022 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:21,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:21,022 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:21,038 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,038 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,038 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:21,038 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,039 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,039 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,040 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,041 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,041 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:21,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:21,041 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:21,057 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,058 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,058 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:21,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,060 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,060 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:21,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:21,060 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:21,076 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,077 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,077 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:21,077 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,077 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,077 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,079 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,079 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:21,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:21,079 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,096 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,096 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:21,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,098 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:21,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:21,098 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:21,114 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,115 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,115 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:21,115 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:21,115 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:21,115 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,115 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:21,115 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,115 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,115 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,117 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,118 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,118 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:21,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:21,118 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:21,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,136 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,136 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:21,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,138 - INFO - number of orbitals:  108
-2024-12-09 10:29:21,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,138 - INFO - moving on ...
-2024-12-09 10:29:21,138 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:21,138 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:21,138 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:21,138 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,138 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:21,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,140 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,140 - INFO - moving on ...
-2024-12-09 10:29:21,140 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:21,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,141 - INFO - number of orbitals:  135
-2024-12-09 10:29:21,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,141 - INFO - moving on ...
-2024-12-09 10:29:21,141 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:21,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,142 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,143 - INFO - moving on ...
-2024-12-09 10:29:21,143 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:21,143 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:21,143 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:21,143 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,143 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:21,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,144 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,144 - INFO - moving on ...
-2024-12-09 10:29:21,144 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:21,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,145 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,146 - INFO - moving on ...
-2024-12-09 10:29:21,146 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:21,146 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:21,146 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:21,146 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,146 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:21,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,147 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,147 - INFO - moving on ...
-2024-12-09 10:29:21,147 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:21,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,148 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,149 - INFO - moving on ...
-2024-12-09 10:29:21,149 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:21,149 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:21,149 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:21,149 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,149 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:21,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,150 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,150 - INFO - moving on ...
-2024-12-09 10:29:21,150 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:21,150 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:21,150 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:21,150 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,150 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:21,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,152 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,152 - INFO - moving on ...
-2024-12-09 10:29:21,152 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:21,152 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:21,152 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:21,152 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,152 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:21,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,153 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,153 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,153 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:21,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:21,153 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:21,170 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,171 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,171 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:21,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:21,171 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,171 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:21,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,172 - INFO - number of orbitals:  118
-2024-12-09 10:29:21,173 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,173 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,173 - INFO - moving on ...
-2024-12-09 10:29:21,173 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:21,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,174 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,174 - INFO - moving on ...
-2024-12-09 10:29:21,174 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:21,174 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:21,174 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:21,174 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,174 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:21,174 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,175 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,175 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,176 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,176 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,176 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:21,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:21,176 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,193 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,193 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:21,193 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,193 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,193 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,195 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,195 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,195 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:21,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:21,196 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:21,212 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,212 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,213 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:21,213 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,213 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,213 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,215 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,215 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,215 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:21,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:21,215 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:21,231 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,231 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,232 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:21,232 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,232 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,232 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,234 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,234 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,234 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:21,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:21,234 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,250 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,251 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,251 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:21,251 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,251 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,251 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,253 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,253 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,253 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:21,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:21,253 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:21,270 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,270 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,270 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:21,270 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,271 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,273 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,273 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:21,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:21,273 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:21,289 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,289 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,290 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:21,290 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,290 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,292 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,292 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:21,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:21,292 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:21,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,309 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,309 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:21,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,309 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,309 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,311 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,311 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:21,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:21,311 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:21,327 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,328 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,328 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:21,328 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:21,328 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:21,328 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,328 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:21,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,330 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,330 - INFO - moving on ...
-2024-12-09 10:29:21,330 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:21,330 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:21,330 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:21,330 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,330 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:21,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,332 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,332 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:21,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:21,332 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:21,347 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,348 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,348 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:21,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:21,348 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,348 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:21,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,349 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,349 - INFO - moving on ...
-2024-12-09 10:29:21,350 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:21,350 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:21,350 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:21,350 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,350 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:21,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,351 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,351 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,351 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:21,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:21,351 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:21,368 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,369 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,369 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:21,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:21,369 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,369 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:21,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,370 - INFO - number of orbitals:  119
-2024-12-09 10:29:21,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,370 - INFO - moving on ...
-2024-12-09 10:29:21,371 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:21,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,372 - INFO - number of orbitals:  62
-2024-12-09 10:29:21,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,372 - INFO - moving on ...
-2024-12-09 10:29:21,372 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:21,372 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:21,372 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:21,372 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,372 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:21,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,373 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,374 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,374 - INFO - moving on ...
-2024-12-09 10:29:21,374 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:21,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,375 - INFO - number of orbitals:  135
-2024-12-09 10:29:21,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,375 - INFO - moving on ...
-2024-12-09 10:29:21,375 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:21,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,376 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,376 - INFO - moving on ...
-2024-12-09 10:29:21,376 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:21,376 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:21,376 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:21,376 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,377 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:21,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,378 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,378 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,378 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:21,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:21,378 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:21,395 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,395 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,395 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:21,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:21,395 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,395 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:21,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,397 - INFO - number of orbitals:  118
-2024-12-09 10:29:21,397 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,397 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,397 - INFO - moving on ...
-2024-12-09 10:29:21,397 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:21,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,398 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,398 - INFO - moving on ...
-2024-12-09 10:29:21,398 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:21,398 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:21,399 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:21,399 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,399 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:21,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,400 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,400 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,400 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:21,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:21,400 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:21,417 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,417 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,417 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:21,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:21,417 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,417 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:21,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,419 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,419 - INFO - moving on ...
-2024-12-09 10:29:21,419 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:21,419 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:21,419 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:21,419 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,419 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:21,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,421 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,421 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,421 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:21,421 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:21,421 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:21,438 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,438 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,438 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:21,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:21,438 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,438 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:21,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,440 - INFO - number of orbitals:  110
-2024-12-09 10:29:21,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,440 - INFO - moving on ...
-2024-12-09 10:29:21,440 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:21,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,441 - INFO - number of orbitals:  60
-2024-12-09 10:29:21,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,441 - INFO - moving on ...
-2024-12-09 10:29:21,441 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:21,441 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:21,441 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:21,441 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,442 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:21,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,443 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,443 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,443 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:21,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:21,443 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:21,459 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,460 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,460 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:21,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:21,460 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,460 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:21,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,461 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,461 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,461 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,461 - INFO - moving on ...
-2024-12-09 10:29:21,461 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:21,462 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:21,462 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:21,462 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,462 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:21,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,463 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,463 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,463 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:21,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:21,463 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:21,479 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,479 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,479 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:21,479 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:21,479 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:21,479 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,479 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:21,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,481 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,481 - INFO - moving on ...
-2024-12-09 10:29:21,481 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:21,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,482 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,482 - INFO - moving on ...
-2024-12-09 10:29:21,482 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:21,482 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:21,482 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:21,483 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,483 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:21,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,484 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,484 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,484 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:21,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:21,484 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:21,500 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,501 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,501 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:21,501 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:21,501 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:21,501 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,501 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:21,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,503 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,503 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,503 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:21,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:21,503 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:21,519 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,520 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,520 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:21,520 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,520 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,520 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,522 - INFO - number of orbitals:  46
-2024-12-09 10:29:21,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,522 - INFO - moving on ...
-2024-12-09 10:29:21,522 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:21,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,525 - INFO - number of orbitals:  46
-2024-12-09 10:29:21,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,525 - INFO - moving on ...
-2024-12-09 10:29:21,525 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:21,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,525 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,525 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,527 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,527 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,527 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:21,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:21,527 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:21,544 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,544 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,544 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:21,544 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:21,544 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:21,544 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,544 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:21,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,546 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,546 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:21,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:21,546 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:21,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,562 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,562 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:21,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:21,562 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,562 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:21,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,564 - INFO - number of orbitals:  85
-2024-12-09 10:29:21,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,564 - INFO - moving on ...
-2024-12-09 10:29:21,564 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:21,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,565 - INFO - number of orbitals:  44
-2024-12-09 10:29:21,565 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,565 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,565 - INFO - moving on ...
-2024-12-09 10:29:21,565 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:21,566 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:21,566 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:21,566 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,566 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:21,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,567 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,567 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,567 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:21,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:21,567 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,584 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,584 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,584 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:21,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:21,584 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,584 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:21,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,586 - INFO - number of orbitals:  110
-2024-12-09 10:29:21,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,586 - INFO - moving on ...
-2024-12-09 10:29:21,586 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:21,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,587 - INFO - number of orbitals:  60
-2024-12-09 10:29:21,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,587 - INFO - moving on ...
-2024-12-09 10:29:21,587 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:21,587 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:21,587 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:21,587 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,587 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:21,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,589 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,589 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,589 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:21,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:21,589 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:21,605 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,605 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,605 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:21,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:21,605 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,605 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:21,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,607 - INFO - number of orbitals:  85
-2024-12-09 10:29:21,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,607 - INFO - moving on ...
-2024-12-09 10:29:21,607 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:21,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,608 - INFO - number of orbitals:  44
-2024-12-09 10:29:21,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,608 - INFO - moving on ...
-2024-12-09 10:29:21,608 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:21,608 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:21,608 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:21,608 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,608 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:21,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,610 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,610 - INFO - moving on ...
-2024-12-09 10:29:21,610 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:21,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,611 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,611 - INFO - moving on ...
-2024-12-09 10:29:21,611 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:21,611 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:21,611 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:21,611 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,611 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:21,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,612 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:21,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:21,613 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:21,628 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,629 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,629 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:21,629 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:21,629 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:21,629 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,629 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:21,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,631 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,631 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,631 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:21,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:21,632 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:21,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,650 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,650 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:21,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,650 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,650 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,652 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,652 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,652 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:21,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:21,652 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:21,669 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,670 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,670 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:21,670 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,670 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,670 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,672 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,672 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,672 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:21,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:21,672 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:21,688 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,689 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,689 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:21,689 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,689 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,689 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,691 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,691 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,691 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:21,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:21,691 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:21,707 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,708 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,708 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:21,708 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,710 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,710 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,710 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:21,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:21,710 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:21,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,727 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,727 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:21,727 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,727 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,727 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,729 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,729 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:21,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:21,729 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:21,746 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,746 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,746 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:21,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,748 - INFO - number of orbitals:  45
-2024-12-09 10:29:21,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,748 - INFO - moving on ...
-2024-12-09 10:29:21,748 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:21,748 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,749 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,749 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,750 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,750 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,750 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:21,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:21,750 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:21,766 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,766 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,767 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:21,767 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,767 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,767 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,769 - INFO - number of orbitals:  42
-2024-12-09 10:29:21,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,769 - INFO - moving on ...
-2024-12-09 10:29:21,769 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:21,769 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:21,769 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:21,769 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,769 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:21,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,770 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,770 - INFO - moving on ...
-2024-12-09 10:29:21,770 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:21,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,772 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,772 - INFO - moving on ...
-2024-12-09 10:29:21,772 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:21,772 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:21,772 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:21,772 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,772 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:21,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,773 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,773 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,773 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:21,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:21,773 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:21,791 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,792 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,792 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:21,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:21,792 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,792 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:21,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,793 - INFO - number of orbitals:  72
-2024-12-09 10:29:21,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,793 - INFO - moving on ...
-2024-12-09 10:29:21,793 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:21,794 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:21,794 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:21,794 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,794 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:21,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,795 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,795 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,795 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:21,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:21,795 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:21,811 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,812 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,812 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:21,812 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:21,812 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:21,812 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,812 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:21,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,814 - INFO - number of orbitals:  48
-2024-12-09 10:29:21,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,814 - INFO - moving on ...
-2024-12-09 10:29:21,814 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:21,814 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:21,814 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:21,814 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,814 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:21,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,815 - INFO - number of orbitals:  48
-2024-12-09 10:29:21,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,816 - INFO - moving on ...
-2024-12-09 10:29:21,816 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:21,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,817 - INFO - number of orbitals:  116
-2024-12-09 10:29:21,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,817 - INFO - moving on ...
-2024-12-09 10:29:21,817 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:21,817 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:21,817 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:21,817 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,817 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:21,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,818 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,818 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,818 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:21,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:21,818 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:21,835 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,835 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,835 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:21,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:21,835 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,835 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:21,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,837 - INFO - number of orbitals:  79
-2024-12-09 10:29:21,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,837 - INFO - moving on ...
-2024-12-09 10:29:21,837 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:21,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,838 - INFO - number of orbitals:  45
-2024-12-09 10:29:21,838 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,838 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,838 - INFO - moving on ...
-2024-12-09 10:29:21,838 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:21,838 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:21,838 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:21,839 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,839 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:21,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,839 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,839 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,840 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,840 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,840 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:21,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:21,841 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,856 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,857 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,857 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:21,857 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,857 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,857 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,859 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,859 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,859 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:21,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:21,859 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:21,875 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,875 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,875 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:21,876 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,876 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,876 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,878 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,878 - INFO - moving on ...
-2024-12-09 10:29:21,878 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:21,878 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,878 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,878 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,879 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,880 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,880 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,880 - INFO - moving on ...
-2024-12-09 10:29:21,880 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:21,880 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,880 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,880 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,881 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,881 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,881 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:21,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:21,882 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:21,898 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,898 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,898 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:21,898 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,899 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,899 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,901 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,901 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,901 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:21,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:21,901 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:21,917 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,917 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,917 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:21,917 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,919 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,919 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,919 - INFO - moving on ...
-2024-12-09 10:29:21,919 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:21,919 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,919 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,919 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,921 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,921 - INFO - moving on ...
-2024-12-09 10:29:21,921 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:21,921 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,922 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,922 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,923 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,923 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,923 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:21,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:21,923 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:21,939 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,940 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,940 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:21,940 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,940 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,940 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,942 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,942 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,942 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:21,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:21,942 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:21,958 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,959 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,959 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:21,959 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,959 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,959 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,961 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,961 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,961 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,961 - INFO - moving on ...
-2024-12-09 10:29:21,961 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:21,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,961 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,961 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,963 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,963 - INFO - moving on ...
-2024-12-09 10:29:21,963 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:21,964 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:21,964 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:21,964 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,964 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:21,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,965 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,965 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:21,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:21,965 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:21,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,981 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,981 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:21,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:21,981 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,982 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:21,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,983 - INFO - number of orbitals:  55
-2024-12-09 10:29:21,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,983 - INFO - moving on ...
-2024-12-09 10:29:21,983 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:21,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,985 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,985 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,985 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:21,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:21,985 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:22,001 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,002 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,002 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:22,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:22,002 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,002 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:22,002 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:22,002 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:22,002 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,002 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:22,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,004 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,004 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,004 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:22,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:22,004 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:22,021 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,021 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,022 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:22,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:22,022 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,022 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:22,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,023 - INFO - number of orbitals:  110
-2024-12-09 10:29:22,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,024 - INFO - moving on ...
-2024-12-09 10:29:22,024 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:22,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,025 - INFO - number of orbitals:  60
-2024-12-09 10:29:22,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,025 - INFO - moving on ...
-2024-12-09 10:29:22,025 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:22,025 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:22,025 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:22,025 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,025 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:22,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,027 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,027 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:22,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:22,027 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:22,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,044 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,044 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:22,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:22,044 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,044 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:22,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,045 - INFO - number of orbitals:  110
-2024-12-09 10:29:22,045 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,046 - INFO - moving on ...
-2024-12-09 10:29:22,046 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:22,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,047 - INFO - number of orbitals:  60
-2024-12-09 10:29:22,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,047 - INFO - moving on ...
-2024-12-09 10:29:22,047 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:22,047 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:22,047 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:22,047 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,047 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:22,047 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,048 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,048 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,049 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,049 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,049 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,049 - INFO - moving on ...
-2024-12-09 10:29:22,050 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:22,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,051 - INFO - number of orbitals:  53
-2024-12-09 10:29:22,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,051 - INFO - moving on ...
-2024-12-09 10:29:22,052 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:22,052 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,053 - INFO - number of orbitals:  58
-2024-12-09 10:29:22,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,053 - INFO - moving on ...
-2024-12-09 10:29:22,053 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:22,054 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,054 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,054 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,055 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,055 - INFO - number of orbitals:  44
-2024-12-09 10:29:22,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,056 - INFO - moving on ...
-2024-12-09 10:29:22,056 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:22,056 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,058 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,058 - INFO - moving on ...
-2024-12-09 10:29:22,058 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:22,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,060 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,060 - INFO - moving on ...
-2024-12-09 10:29:22,060 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:22,060 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,060 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,060 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,062 - INFO - number of orbitals:  44
-2024-12-09 10:29:22,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,062 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,062 - INFO - moving on ...
-2024-12-09 10:29:22,062 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:22,062 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,062 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,062 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,064 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,064 - INFO - moving on ...
-2024-12-09 10:29:22,064 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:22,064 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,066 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,066 - INFO - moving on ...
-2024-12-09 10:29:22,066 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:22,066 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:22,066 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:22,066 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,066 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:22,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,068 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,068 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,068 - INFO - moving on ...
-2024-12-09 10:29:22,068 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:22,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,069 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,069 - INFO - moving on ...
-2024-12-09 10:29:22,069 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:22,069 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:22,069 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:22,069 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,069 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:22,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,070 - INFO - number of orbitals:  76
-2024-12-09 10:29:22,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,071 - INFO - moving on ...
-2024-12-09 10:29:22,071 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:22,071 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:22,071 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:22,071 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,071 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:22,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,072 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,072 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:22,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:22,072 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:22,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,089 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,089 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:22,089 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:22,089 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:22,089 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,089 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:22,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,091 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,091 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:22,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:22,091 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:22,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,107 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,107 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:22,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:22,107 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,107 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:22,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,108 - INFO - number of orbitals:  74
-2024-12-09 10:29:22,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,109 - INFO - moving on ...
-2024-12-09 10:29:22,109 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:22,109 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:22,109 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:22,109 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,109 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:22,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,110 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,110 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,110 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:22,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:22,110 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:22,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,126 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,127 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:22,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:22,127 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,127 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:22,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,128 - INFO - number of orbitals:  90
-2024-12-09 10:29:22,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,128 - INFO - moving on ...
-2024-12-09 10:29:22,128 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:22,128 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:22,128 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:22,128 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,128 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:22,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,130 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,130 - INFO - moving on ...
-2024-12-09 10:29:22,130 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:22,130 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:22,130 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:22,130 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,130 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:22,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,131 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,131 - INFO - moving on ...
-2024-12-09 10:29:22,131 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:22,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,133 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,133 - INFO - moving on ...
-2024-12-09 10:29:22,133 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:22,133 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:22,133 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:22,133 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,133 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:22,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,134 - INFO - number of orbitals:  47
-2024-12-09 10:29:22,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,134 - INFO - moving on ...
-2024-12-09 10:29:22,134 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:22,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,136 - INFO - number of orbitals:  106
-2024-12-09 10:29:22,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,136 - INFO - moving on ...
-2024-12-09 10:29:22,136 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:22,136 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:22,136 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:22,136 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,136 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:22,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,137 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,137 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,137 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:22,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:22,137 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:22,154 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,154 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,154 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:22,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:22,154 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,154 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:22,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,156 - INFO - number of orbitals:  118
-2024-12-09 10:29:22,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,156 - INFO - moving on ...
-2024-12-09 10:29:22,156 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:22,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,157 - INFO - number of orbitals:  68
-2024-12-09 10:29:22,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,157 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,158 - INFO - moving on ...
-2024-12-09 10:29:22,158 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:22,158 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:22,158 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:22,158 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,158 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:22,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,159 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,159 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:22,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:22,159 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:22,176 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,176 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,176 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:22,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:22,176 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,176 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:22,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,178 - INFO - number of orbitals:  114
-2024-12-09 10:29:22,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,178 - INFO - moving on ...
-2024-12-09 10:29:22,178 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:22,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,179 - INFO - number of orbitals:  64
-2024-12-09 10:29:22,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,179 - INFO - moving on ...
-2024-12-09 10:29:22,179 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:22,180 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:22,180 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:22,180 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,180 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:22,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,181 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,181 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:22,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:22,181 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:22,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,198 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,198 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:22,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:22,198 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,198 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:22,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,200 - INFO - number of orbitals:  115
-2024-12-09 10:29:22,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,200 - INFO - moving on ...
-2024-12-09 10:29:22,200 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:22,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,201 - INFO - number of orbitals:  58
-2024-12-09 10:29:22,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,201 - INFO - moving on ...
-2024-12-09 10:29:22,201 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:22,202 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:22,202 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:22,202 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,202 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:22,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,203 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,203 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,203 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:22,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:22,203 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:22,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,220 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,220 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:22,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:22,220 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,220 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:22,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,221 - INFO - number of orbitals:  78
-2024-12-09 10:29:22,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,221 - INFO - moving on ...
-2024-12-09 10:29:22,221 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:22,221 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:22,222 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:22,222 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,222 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:22,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,223 - INFO - number of orbitals:  58
-2024-12-09 10:29:22,223 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,223 - INFO - moving on ...
-2024-12-09 10:29:22,223 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:22,223 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:22,223 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:22,223 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,223 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:22,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,224 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,224 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,224 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:22,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:22,225 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:22,240 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,241 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,241 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:22,241 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:22,241 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:22,241 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,241 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:22,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,243 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,243 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,243 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:22,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:22,243 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:22,259 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,260 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,260 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:22,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:22,260 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,260 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:22,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,261 - INFO - number of orbitals:  86
-2024-12-09 10:29:22,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,262 - INFO - moving on ...
-2024-12-09 10:29:22,262 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:22,262 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:22,262 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:22,262 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,262 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:22,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,263 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,263 - INFO - moving on ...
-2024-12-09 10:29:22,263 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:22,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,264 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,265 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,265 - INFO - moving on ...
-2024-12-09 10:29:22,265 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:22,265 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:22,265 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:22,265 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,265 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:22,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,266 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,266 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:22,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:22,266 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:22,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,283 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,283 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:22,283 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:22,283 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:22,283 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,283 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:22,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,284 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,285 - INFO - moving on ...
-2024-12-09 10:29:22,285 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:22,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,286 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,286 - INFO - moving on ...
-2024-12-09 10:29:22,286 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:22,286 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:22,286 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:22,286 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,286 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:22,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,288 - INFO - number of orbitals:  76
-2024-12-09 10:29:22,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,288 - INFO - moving on ...
-2024-12-09 10:29:22,288 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:22,288 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:22,288 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:22,288 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,288 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:22,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,289 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,289 - INFO - moving on ...
-2024-12-09 10:29:22,289 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:22,289 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:22,290 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:22,290 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,290 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:22,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,291 - INFO - number of orbitals:  48
-2024-12-09 10:29:22,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,291 - INFO - moving on ...
-2024-12-09 10:29:22,291 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:22,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,292 - INFO - number of orbitals:  116
-2024-12-09 10:29:22,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,292 - INFO - moving on ...
-2024-12-09 10:29:22,292 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:22,292 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:22,292 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:22,292 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,292 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:22,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,294 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,294 - INFO - moving on ...
-2024-12-09 10:29:22,294 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:22,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,295 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,295 - INFO - moving on ...
-2024-12-09 10:29:22,295 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:22,295 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:22,295 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:22,295 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,295 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:22,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,297 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,297 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,297 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:22,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:22,297 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:22,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,314 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,314 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:22,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:22,314 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,314 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:22,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,315 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,316 - INFO - moving on ...
-2024-12-09 10:29:22,316 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:22,316 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:22,316 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:22,316 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,316 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:22,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,317 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,317 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,317 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:22,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:22,317 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:22,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,334 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,334 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:22,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:22,334 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,334 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:22,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,336 - INFO - number of orbitals:  110
-2024-12-09 10:29:22,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,336 - INFO - moving on ...
-2024-12-09 10:29:22,336 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:22,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,337 - INFO - number of orbitals:  60
-2024-12-09 10:29:22,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,337 - INFO - moving on ...
-2024-12-09 10:29:22,337 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:22,337 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:22,337 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:22,337 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,337 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:22,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,339 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,339 - INFO - moving on ...
-2024-12-09 10:29:22,339 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:22,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,340 - INFO - number of orbitals:  135
-2024-12-09 10:29:22,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,340 - INFO - moving on ...
-2024-12-09 10:29:22,340 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:22,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,341 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,341 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,341 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,342 - INFO - moving on ...
-2024-12-09 10:29:22,342 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:22,342 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:22,342 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:22,342 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,342 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:22,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,343 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,343 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,343 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:22,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:22,343 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:22,360 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,360 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,361 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:22,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:22,361 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,361 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:22,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,362 - INFO - number of orbitals:  119
-2024-12-09 10:29:22,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,362 - INFO - moving on ...
-2024-12-09 10:29:22,362 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:22,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,364 - INFO - number of orbitals:  62
-2024-12-09 10:29:22,364 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,364 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,364 - INFO - moving on ...
-2024-12-09 10:29:22,364 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:22,364 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:22,364 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:22,364 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,364 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:22,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,365 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,365 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,365 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:22,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:22,366 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:22,382 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,382 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,382 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:22,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:22,382 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,382 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:22,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,384 - INFO - number of orbitals:  64
-2024-12-09 10:29:22,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,384 - INFO - moving on ...
-2024-12-09 10:29:22,384 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:22,384 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:22,384 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:22,384 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,384 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:22,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,385 - INFO - number of orbitals:  52
-2024-12-09 10:29:22,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,386 - INFO - moving on ...
-2024-12-09 10:29:22,386 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:22,386 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:22,386 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:22,386 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,386 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:22,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,387 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,387 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,387 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:22,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:22,387 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:22,403 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,404 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,404 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:22,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:22,404 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,404 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:22,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,406 - INFO - number of orbitals:  89
-2024-12-09 10:29:22,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,406 - INFO - moving on ...
-2024-12-09 10:29:22,406 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:22,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,407 - INFO - number of orbitals:  48
-2024-12-09 10:29:22,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,407 - INFO - moving on ...
-2024-12-09 10:29:22,407 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:22,407 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:22,407 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:22,407 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,408 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:22,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,409 - INFO - number of orbitals:  46
-2024-12-09 10:29:22,409 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,409 - INFO - moving on ...
-2024-12-09 10:29:22,409 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:22,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,410 - INFO - number of orbitals:  94
-2024-12-09 10:29:22,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,410 - INFO - moving on ...
-2024-12-09 10:29:22,410 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:22,410 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:22,410 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:22,410 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,410 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:22,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,412 - INFO - number of orbitals:  70
-2024-12-09 10:29:22,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,412 - INFO - moving on ...
-2024-12-09 10:29:22,412 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:22,412 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:22,412 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:22,412 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,412 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:22,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,413 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,413 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:22,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:22,413 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:22,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,431 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,431 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:22,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:22,431 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,431 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:22,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,433 - INFO - number of orbitals:  79
-2024-12-09 10:29:22,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,433 - INFO - moving on ...
-2024-12-09 10:29:22,433 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:22,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,434 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,434 - INFO - moving on ...
-2024-12-09 10:29:22,434 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:22,435 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:22,435 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:22,435 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,435 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:22,435 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,435 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,435 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,437 - INFO - number of orbitals:  42
-2024-12-09 10:29:22,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,437 - INFO - moving on ...
-2024-12-09 10:29:22,437 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:22,437 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,437 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,437 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,439 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,439 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,439 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:22,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:22,439 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:22,455 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,456 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,456 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:22,456 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,456 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,456 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,458 - INFO - number of orbitals:  90
-2024-12-09 10:29:22,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,458 - INFO - moving on ...
-2024-12-09 10:29:22,458 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:22,458 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,458 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,458 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,460 - INFO - number of orbitals:  42
-2024-12-09 10:29:22,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,460 - INFO - moving on ...
-2024-12-09 10:29:22,460 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:22,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,462 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,462 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,462 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:22,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:22,462 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:22,478 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,478 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,478 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:22,479 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,479 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,479 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,481 - INFO - number of orbitals:  90
-2024-12-09 10:29:22,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,481 - INFO - moving on ...
-2024-12-09 10:29:22,481 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:22,481 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:22,481 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:22,481 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,481 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:22,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,482 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,482 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,482 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:22,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:22,483 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:22,498 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,499 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,499 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:22,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:22,499 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,499 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:22,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,501 - INFO - number of orbitals:  115
-2024-12-09 10:29:22,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,501 - INFO - moving on ...
-2024-12-09 10:29:22,501 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:22,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,502 - INFO - number of orbitals:  58
-2024-12-09 10:29:22,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,502 - INFO - moving on ...
-2024-12-09 10:29:22,502 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:22,502 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:22,502 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:22,502 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,502 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:22,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,504 - INFO - number of orbitals:  76
-2024-12-09 10:29:22,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,504 - INFO - moving on ...
-2024-12-09 10:29:22,504 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:22,504 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:22,504 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:22,504 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,504 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:22,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,505 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,505 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,505 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:22,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:22,505 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:22,522 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,522 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,522 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:22,522 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:22,522 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:22,522 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,523 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:22,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,525 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,525 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,525 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:22,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:22,525 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:22,541 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,542 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,542 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:22,542 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,542 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,542 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,544 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,544 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:22,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:22,544 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:22,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,561 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,561 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:22,561 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,564 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,564 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,564 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:22,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:22,564 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:22,581 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,581 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,581 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:22,581 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,581 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,581 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,583 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,583 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,584 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:22,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:22,584 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:22,602 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,602 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,602 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:22,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,602 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,602 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,604 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,604 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:22,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:22,604 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:22,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,621 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,621 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:22,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,621 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,621 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,623 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,623 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,623 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:22,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:22,624 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:22,640 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,640 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,640 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:22,640 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:22,641 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:22,641 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,641 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:22,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,643 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,643 - INFO - moving on ...
-2024-12-09 10:29:22,643 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:22,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,645 - INFO - number of orbitals:  70
-2024-12-09 10:29:22,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,645 - INFO - moving on ...
-2024-12-09 10:29:22,645 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:22,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,647 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,648 - INFO - moving on ...
-2024-12-09 10:29:22,648 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:22,648 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:22,648 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:22,648 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,648 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:22,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,649 - INFO - number of orbitals:  76
-2024-12-09 10:29:22,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,649 - INFO - moving on ...
-2024-12-09 10:29:22,649 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:22,650 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:22,650 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:22,650 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,650 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:22,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,650 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,650 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,652 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,652 - INFO - moving on ...
-2024-12-09 10:29:22,652 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:22,652 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,652 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,652 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,654 - INFO - number of orbitals:  70
-2024-12-09 10:29:22,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,654 - INFO - moving on ...
-2024-12-09 10:29:22,654 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:22,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,656 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,656 - INFO - moving on ...
-2024-12-09 10:29:22,656 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:22,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,658 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,658 - INFO - moving on ...
-2024-12-09 10:29:22,658 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:22,658 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,658 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,658 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,660 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,660 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,660 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:22,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:22,660 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:22,676 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,677 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,677 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:22,677 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,677 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,677 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,679 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,679 - INFO - moving on ...
-2024-12-09 10:29:22,680 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:22,680 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,680 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,680 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,681 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,681 - INFO - moving on ...
-2024-12-09 10:29:22,682 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:22,682 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,682 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,682 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,683 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,683 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,683 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,684 - INFO - moving on ...
-2024-12-09 10:29:22,684 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:22,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,685 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,685 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,685 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:22,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:22,686 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:22,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,702 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,702 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:22,702 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,704 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,704 - INFO - moving on ...
-2024-12-09 10:29:22,705 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:22,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,706 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,706 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,706 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:22,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:22,707 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:22,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,723 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,723 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:22,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,725 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,725 - INFO - moving on ...
-2024-12-09 10:29:22,725 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:22,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,727 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,727 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,727 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:22,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:22,727 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:22,743 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,743 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,743 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:22,743 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,743 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,743 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,745 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,745 - INFO - moving on ...
-2024-12-09 10:29:22,745 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:22,745 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,745 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,745 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,747 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,747 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,747 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:22,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:22,747 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:22,763 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,764 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,764 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:22,764 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,764 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,764 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,766 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,766 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,766 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:22,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:22,766 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:22,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,783 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,783 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:22,783 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:22,783 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:22,784 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,784 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:22,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,785 - INFO - number of orbitals:  42
-2024-12-09 10:29:22,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,785 - INFO - moving on ...
-2024-12-09 10:29:22,785 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:22,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,786 - INFO - number of orbitals:  90
-2024-12-09 10:29:22,787 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,787 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,787 - INFO - moving on ...
-2024-12-09 10:29:22,787 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:22,787 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:22,787 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:22,787 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,787 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:22,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,788 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,788 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,788 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:22,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:22,788 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:22,806 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,807 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,807 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:22,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:22,807 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,807 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:22,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,809 - INFO - number of orbitals:  118
-2024-12-09 10:29:22,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,809 - INFO - moving on ...
-2024-12-09 10:29:22,809 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:22,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,810 - INFO - number of orbitals:  68
-2024-12-09 10:29:22,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,810 - INFO - moving on ...
-2024-12-09 10:29:22,810 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:22,810 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:22,810 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:22,811 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,811 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:22,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,812 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,812 - INFO - moving on ...
-2024-12-09 10:29:22,812 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:22,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,813 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,813 - INFO - moving on ...
-2024-12-09 10:29:22,813 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:22,813 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:22,814 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:22,814 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,814 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:22,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,815 - INFO - number of orbitals:  66
-2024-12-09 10:29:22,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,815 - INFO - moving on ...
-2024-12-09 10:29:22,815 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:22,815 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:22,815 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:22,816 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,816 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:22,816 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,816 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,816 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,817 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,817 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,818 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:22,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:22,818 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:22,834 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,834 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,834 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:22,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,836 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,836 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:22,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:22,836 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:22,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,852 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,852 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:22,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,854 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,854 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,854 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:22,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:22,854 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:22,870 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,870 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,870 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:22,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,872 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,872 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:22,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:22,873 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:22,888 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,888 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,888 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:22,888 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,890 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,890 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:22,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:22,891 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:22,906 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,906 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,906 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:22,906 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,907 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,907 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,908 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,908 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,908 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:22,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:22,909 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:22,924 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,924 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,925 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:22,925 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,925 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,927 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,927 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:22,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:22,927 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:22,943 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,943 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,943 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:22,943 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,943 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,945 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,946 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:22,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:22,946 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:22,961 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,962 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,962 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:22,962 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,964 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,964 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,964 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:22,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:22,964 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:22,980 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,980 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,980 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:22,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,980 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,982 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,982 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,982 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:22,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:22,983 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:22,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,999 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,999 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:22,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,999 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,999 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,001 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,001 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,001 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:23,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:23,001 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,017 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,017 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,017 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:23,018 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,018 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,018 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,020 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,020 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,020 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:23,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:23,020 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:23,036 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,036 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,036 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:23,036 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:23,036 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:23,036 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,036 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:23,037 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,037 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,037 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,038 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,039 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,039 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:23,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:23,039 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:23,055 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,055 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,055 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:23,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,058 - INFO - number of orbitals:  108
-2024-12-09 10:29:23,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,058 - INFO - moving on ...
-2024-12-09 10:29:23,058 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:23,058 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:23,058 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:23,058 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,058 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:23,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,060 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,060 - INFO - moving on ...
-2024-12-09 10:29:23,060 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:23,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,061 - INFO - number of orbitals:  135
-2024-12-09 10:29:23,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,061 - INFO - moving on ...
-2024-12-09 10:29:23,061 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:23,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,062 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,063 - INFO - moving on ...
-2024-12-09 10:29:23,063 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:23,063 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:23,063 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:23,063 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,063 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:23,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,064 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,064 - INFO - moving on ...
-2024-12-09 10:29:23,064 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:23,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,065 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,066 - INFO - moving on ...
-2024-12-09 10:29:23,066 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:23,066 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:23,066 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:23,066 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,066 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:23,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,067 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,067 - INFO - moving on ...
-2024-12-09 10:29:23,068 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:23,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,069 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,069 - INFO - moving on ...
-2024-12-09 10:29:23,069 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:23,070 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:23,070 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:23,070 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,070 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:23,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,071 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,072 - INFO - moving on ...
-2024-12-09 10:29:23,072 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:23,072 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:23,072 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:23,072 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,072 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:23,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,074 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,074 - INFO - moving on ...
-2024-12-09 10:29:23,074 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:23,074 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:23,074 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:23,074 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,074 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:23,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,076 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,076 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,076 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:23,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:23,077 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:23,094 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,095 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,095 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:23,095 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:23,095 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,095 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:23,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,096 - INFO - number of orbitals:  118
-2024-12-09 10:29:23,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,096 - INFO - moving on ...
-2024-12-09 10:29:23,097 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:23,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,098 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,098 - INFO - moving on ...
-2024-12-09 10:29:23,098 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:23,098 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:23,098 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:23,098 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,098 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:23,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,100 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,100 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,100 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:23,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:23,100 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,116 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,116 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,116 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:23,116 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,116 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,116 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,118 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,118 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,118 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:23,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:23,119 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:23,134 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,135 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,135 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:23,135 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,135 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,135 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,137 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,137 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,137 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:23,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:23,137 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:23,152 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,153 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,153 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:23,153 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,153 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,153 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,155 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,155 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,155 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:23,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:23,155 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,171 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,172 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,172 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:23,172 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,172 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,172 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,174 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,174 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,174 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:23,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:23,174 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:23,190 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,190 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,191 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:23,191 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,191 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,191 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,193 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,193 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,193 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:23,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:23,193 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:23,209 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,209 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,210 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:23,210 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,210 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,210 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,212 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,212 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,212 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:23,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:23,212 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:23,227 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,228 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,228 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:23,228 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,228 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,228 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,230 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,230 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,230 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:23,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:23,230 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:23,245 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,246 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,246 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:23,246 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:23,246 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:23,246 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,246 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:23,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,247 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,247 - INFO - moving on ...
-2024-12-09 10:29:23,248 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:23,248 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:23,248 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:23,248 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,248 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:23,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,249 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,249 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,249 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:23,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:23,249 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:23,264 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,265 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,265 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:23,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:23,265 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,265 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:23,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,267 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,267 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,267 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,267 - INFO - moving on ...
-2024-12-09 10:29:23,267 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:23,267 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:23,267 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:23,267 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,267 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:23,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,268 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,268 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,268 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:23,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:23,268 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:23,284 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,284 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,284 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:23,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:23,284 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,285 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:23,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,286 - INFO - number of orbitals:  119
-2024-12-09 10:29:23,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,286 - INFO - moving on ...
-2024-12-09 10:29:23,286 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:23,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,287 - INFO - number of orbitals:  62
-2024-12-09 10:29:23,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,287 - INFO - moving on ...
-2024-12-09 10:29:23,287 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:23,288 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:23,288 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:23,288 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,288 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:23,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,289 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,289 - INFO - moving on ...
-2024-12-09 10:29:23,289 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:23,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,290 - INFO - number of orbitals:  135
-2024-12-09 10:29:23,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,291 - INFO - moving on ...
-2024-12-09 10:29:23,291 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:23,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,292 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,292 - INFO - moving on ...
-2024-12-09 10:29:23,292 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:23,292 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:23,292 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:23,292 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,292 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:23,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,294 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,294 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,294 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:23,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:23,294 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:23,309 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,310 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,310 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:23,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:23,310 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,310 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:23,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,311 - INFO - number of orbitals:  118
-2024-12-09 10:29:23,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,311 - INFO - moving on ...
-2024-12-09 10:29:23,311 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:23,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,312 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,313 - INFO - moving on ...
-2024-12-09 10:29:23,313 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:23,313 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:23,313 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:23,313 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,313 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:23,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,314 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,314 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,314 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:23,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:23,314 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:23,330 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,331 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,331 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:23,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:23,331 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,331 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:23,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,332 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,332 - INFO - moving on ...
-2024-12-09 10:29:23,332 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:23,333 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:23,333 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:23,333 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,333 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:23,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,334 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,334 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,334 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:23,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:23,334 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:23,349 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,350 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,350 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:23,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:23,350 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,350 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:23,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,351 - INFO - number of orbitals:  110
-2024-12-09 10:29:23,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,351 - INFO - moving on ...
-2024-12-09 10:29:23,351 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:23,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,353 - INFO - number of orbitals:  60
-2024-12-09 10:29:23,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,353 - INFO - moving on ...
-2024-12-09 10:29:23,353 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:23,353 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:23,353 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:23,353 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,353 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:23,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,354 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,354 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,354 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:23,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:23,354 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:23,370 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,370 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,370 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:23,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:23,370 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,370 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:23,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,372 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,372 - INFO - moving on ...
-2024-12-09 10:29:23,372 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:23,372 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:23,372 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:23,372 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,372 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:23,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,373 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,373 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,374 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:23,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:23,374 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:23,389 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,389 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,389 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:23,390 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:23,390 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:23,390 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,390 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:23,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,391 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,391 - INFO - moving on ...
-2024-12-09 10:29:23,391 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:23,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,392 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,393 - INFO - moving on ...
-2024-12-09 10:29:23,393 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:23,393 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:23,393 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:23,393 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,393 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:23,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,394 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,394 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:23,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:23,394 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:23,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,410 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,411 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:23,411 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:23,411 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:23,411 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,411 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:23,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,413 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,413 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:23,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:23,413 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:23,429 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,430 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,430 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:23,430 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,430 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,430 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,432 - INFO - number of orbitals:  46
-2024-12-09 10:29:23,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,432 - INFO - moving on ...
-2024-12-09 10:29:23,432 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:23,432 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,432 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,432 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,434 - INFO - number of orbitals:  46
-2024-12-09 10:29:23,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,434 - INFO - moving on ...
-2024-12-09 10:29:23,434 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:23,434 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,434 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,434 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,436 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,436 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,436 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:23,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:23,436 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:23,452 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,453 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,453 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:23,453 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:23,453 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:23,453 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,453 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:23,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,454 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,454 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,454 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:23,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:23,455 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:23,470 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,470 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,470 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:23,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:23,470 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,471 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:23,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,472 - INFO - number of orbitals:  85
-2024-12-09 10:29:23,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,472 - INFO - moving on ...
-2024-12-09 10:29:23,472 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:23,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,473 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,473 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,473 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:23,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:23,473 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,488 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,489 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,489 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:23,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:23,489 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,489 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:23,489 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:23,489 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:23,489 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,489 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:23,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,491 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,491 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,491 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:23,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:23,491 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,506 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,506 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,507 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:23,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:23,507 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,507 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:23,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,508 - INFO - number of orbitals:  110
-2024-12-09 10:29:23,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,508 - INFO - moving on ...
-2024-12-09 10:29:23,508 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:23,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,509 - INFO - number of orbitals:  60
-2024-12-09 10:29:23,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,510 - INFO - moving on ...
-2024-12-09 10:29:23,510 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:23,510 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:23,510 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:23,510 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,510 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:23,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,511 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,511 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,511 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:23,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:23,511 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:23,527 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,527 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,527 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:23,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:23,528 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,528 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:23,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,529 - INFO - number of orbitals:  85
-2024-12-09 10:29:23,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,529 - INFO - moving on ...
-2024-12-09 10:29:23,529 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:23,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,531 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,531 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,531 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:23,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:23,531 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:23,547 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,548 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,548 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:23,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:23,548 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,548 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:23,548 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:23,548 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:23,548 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,548 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:23,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,550 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,550 - INFO - moving on ...
-2024-12-09 10:29:23,550 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:23,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,551 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,551 - INFO - moving on ...
-2024-12-09 10:29:23,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:23,552 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:23,552 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:23,552 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,552 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:23,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,553 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,553 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,553 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:23,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:23,553 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:23,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,569 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,569 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:23,570 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:23,570 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:23,570 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,570 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:23,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,572 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,572 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:23,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:23,572 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:23,588 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,588 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,588 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:23,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,589 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,589 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,590 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,590 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:23,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:23,590 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:23,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,608 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,608 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:23,608 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,608 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,608 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,610 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,610 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,610 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:23,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:23,610 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:23,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,627 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,627 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:23,627 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,627 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,627 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,629 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,629 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,629 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:23,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:23,629 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:23,646 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,646 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,646 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:23,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,646 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,648 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,648 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:23,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:23,648 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:23,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,664 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,664 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:23,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,666 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,666 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:23,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:23,667 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:23,683 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,683 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,683 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:23,683 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,683 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,686 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,686 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,686 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:23,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:23,686 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:23,704 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,705 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,705 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:23,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,708 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,708 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,708 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:23,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:23,708 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:23,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,728 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,728 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:23,728 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,728 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,728 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,730 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,730 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,730 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:23,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:23,730 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:23,746 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,747 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,747 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:23,747 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:23,747 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:23,747 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,747 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:23,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,748 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,749 - INFO - moving on ...
-2024-12-09 10:29:23,749 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:23,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,750 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,750 - INFO - moving on ...
-2024-12-09 10:29:23,750 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:23,750 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:23,750 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:23,750 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,750 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:23,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,751 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,751 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,751 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:23,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:23,751 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:23,767 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,767 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,767 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:23,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:23,767 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,767 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:23,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,769 - INFO - number of orbitals:  72
-2024-12-09 10:29:23,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,769 - INFO - moving on ...
-2024-12-09 10:29:23,769 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:23,769 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:23,769 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:23,769 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,769 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:23,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,770 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,770 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,770 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:23,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:23,771 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:23,786 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,786 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,786 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:23,787 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:23,787 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:23,787 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,787 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:23,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,788 - INFO - number of orbitals:  48
-2024-12-09 10:29:23,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,788 - INFO - moving on ...
-2024-12-09 10:29:23,788 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:23,789 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:23,789 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:23,789 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,789 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:23,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,790 - INFO - number of orbitals:  48
-2024-12-09 10:29:23,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,790 - INFO - moving on ...
-2024-12-09 10:29:23,790 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:23,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,792 - INFO - number of orbitals:  116
-2024-12-09 10:29:23,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,792 - INFO - moving on ...
-2024-12-09 10:29:23,792 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:23,792 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:23,792 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:23,792 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,792 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:23,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,793 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,793 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,793 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:23,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:23,794 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:23,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,810 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,810 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:23,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:23,811 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,811 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:23,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,812 - INFO - number of orbitals:  79
-2024-12-09 10:29:23,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,812 - INFO - moving on ...
-2024-12-09 10:29:23,812 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:23,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,813 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,813 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,813 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:23,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:23,814 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:23,830 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,830 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,830 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:23,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:23,830 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,830 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:23,831 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:23,831 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:23,831 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,831 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:23,831 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,833 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,833 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,833 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:23,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:23,833 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,849 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,849 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,849 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:23,849 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,849 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,850 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,851 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,851 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,851 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:23,852 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:23,852 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:23,868 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,868 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,868 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:23,868 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,868 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,868 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,870 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,870 - INFO - moving on ...
-2024-12-09 10:29:23,870 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:23,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,872 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,872 - INFO - moving on ...
-2024-12-09 10:29:23,872 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:23,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,874 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:23,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:23,874 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:23,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,891 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,891 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:23,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,893 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,893 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:23,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:23,893 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:23,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,909 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,909 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:23,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,910 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,910 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,911 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,912 - INFO - moving on ...
-2024-12-09 10:29:23,912 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:23,912 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,912 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,912 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,913 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,914 - INFO - moving on ...
-2024-12-09 10:29:23,914 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:23,914 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,914 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,914 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,915 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,915 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,915 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:23,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:23,915 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:23,931 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,932 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,932 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:23,932 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,932 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,932 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,934 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,934 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,934 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:23,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:23,934 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:23,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,950 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,950 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:23,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,953 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,953 - INFO - moving on ...
-2024-12-09 10:29:23,953 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:23,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,955 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,955 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,955 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,955 - INFO - moving on ...
-2024-12-09 10:29:23,955 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:23,955 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:23,955 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:23,955 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,955 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:23,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,956 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,957 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,957 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:23,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:23,957 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:23,972 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,973 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,973 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:23,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:23,973 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,973 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:23,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,974 - INFO - number of orbitals:  55
-2024-12-09 10:29:23,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,974 - INFO - moving on ...
-2024-12-09 10:29:23,974 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:23,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,976 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,976 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,976 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:23,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:23,976 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:23,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,991 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,992 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:23,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:23,992 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,992 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:23,992 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:23,992 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:23,992 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,992 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:23,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,993 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,993 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,993 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:23,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:23,994 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:24,009 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,009 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,010 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:24,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:24,010 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,010 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:24,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,012 - INFO - number of orbitals:  110
-2024-12-09 10:29:24,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,012 - INFO - moving on ...
-2024-12-09 10:29:24,012 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:24,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,013 - INFO - number of orbitals:  60
-2024-12-09 10:29:24,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,013 - INFO - moving on ...
-2024-12-09 10:29:24,013 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:24,014 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:24,014 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:24,014 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,014 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:24,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,015 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,015 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,015 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:24,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:24,015 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:24,031 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,031 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,031 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:24,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:24,031 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,031 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:24,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,033 - INFO - number of orbitals:  110
-2024-12-09 10:29:24,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,033 - INFO - moving on ...
-2024-12-09 10:29:24,033 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:24,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,034 - INFO - number of orbitals:  60
-2024-12-09 10:29:24,034 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,034 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,034 - INFO - moving on ...
-2024-12-09 10:29:24,034 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:24,034 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:24,035 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:24,035 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,035 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:24,035 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,035 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,035 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,036 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,037 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,037 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:24,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:24,037 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:24,052 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,053 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,053 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:24,053 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,053 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,053 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,055 - INFO - number of orbitals:  53
-2024-12-09 10:29:24,055 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,055 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,055 - INFO - moving on ...
-2024-12-09 10:29:24,055 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:24,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,055 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,055 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,057 - INFO - number of orbitals:  58
-2024-12-09 10:29:24,057 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,057 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,057 - INFO - moving on ...
-2024-12-09 10:29:24,057 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:24,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,057 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,059 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,059 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,059 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:24,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:24,059 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:24,074 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,075 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,075 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:24,075 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,075 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,075 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,077 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,077 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,077 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,077 - INFO - moving on ...
-2024-12-09 10:29:24,077 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:24,077 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,077 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,077 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,079 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,079 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,079 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,079 - INFO - moving on ...
-2024-12-09 10:29:24,079 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:24,079 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,079 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,079 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,081 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,081 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,081 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:24,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:24,081 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:24,096 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,097 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,097 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:24,097 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,097 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,097 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,099 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,099 - INFO - moving on ...
-2024-12-09 10:29:24,099 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:24,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,101 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,101 - INFO - moving on ...
-2024-12-09 10:29:24,101 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:24,101 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:24,101 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:24,101 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,101 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:24,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,102 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,103 - INFO - moving on ...
-2024-12-09 10:29:24,103 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:24,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,104 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,104 - INFO - moving on ...
-2024-12-09 10:29:24,104 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:24,104 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:24,104 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:24,104 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,104 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:24,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,105 - INFO - number of orbitals:  76
-2024-12-09 10:29:24,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,105 - INFO - moving on ...
-2024-12-09 10:29:24,105 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:24,106 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:24,106 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:24,106 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,106 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:24,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,107 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,107 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,107 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:24,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:24,107 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:24,122 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,122 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,122 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:24,123 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:24,123 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:24,123 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,123 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:24,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,124 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,124 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,124 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:24,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:24,124 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:24,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,140 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,140 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:24,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:24,140 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,140 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:24,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,141 - INFO - number of orbitals:  74
-2024-12-09 10:29:24,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,142 - INFO - moving on ...
-2024-12-09 10:29:24,142 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:24,142 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:24,142 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:24,142 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,142 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:24,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,143 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,143 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,143 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:24,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:24,143 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:24,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,160 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,160 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:24,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:24,160 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,160 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:24,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,162 - INFO - number of orbitals:  90
-2024-12-09 10:29:24,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,162 - INFO - moving on ...
-2024-12-09 10:29:24,162 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:24,162 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:24,162 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:24,162 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,162 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:24,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,163 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,163 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,163 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,163 - INFO - moving on ...
-2024-12-09 10:29:24,163 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:24,163 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:24,163 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:24,164 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,164 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:24,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,165 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,165 - INFO - moving on ...
-2024-12-09 10:29:24,165 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:24,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,166 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,166 - INFO - moving on ...
-2024-12-09 10:29:24,166 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:24,166 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:24,166 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:24,167 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,167 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:24,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,168 - INFO - number of orbitals:  47
-2024-12-09 10:29:24,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,168 - INFO - moving on ...
-2024-12-09 10:29:24,168 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:24,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,169 - INFO - number of orbitals:  106
-2024-12-09 10:29:24,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,169 - INFO - moving on ...
-2024-12-09 10:29:24,169 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:24,169 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:24,169 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:24,170 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,170 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:24,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,171 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,171 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,171 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:24,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:24,171 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:24,186 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,187 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,187 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:24,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:24,187 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,187 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:24,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,188 - INFO - number of orbitals:  118
-2024-12-09 10:29:24,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,189 - INFO - moving on ...
-2024-12-09 10:29:24,189 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:24,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,190 - INFO - number of orbitals:  68
-2024-12-09 10:29:24,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,190 - INFO - moving on ...
-2024-12-09 10:29:24,190 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:24,190 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:24,190 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:24,190 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,190 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:24,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,192 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,192 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,192 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:24,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:24,192 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:24,210 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,211 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,211 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:24,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:24,211 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,211 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:24,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,214 - INFO - number of orbitals:  114
-2024-12-09 10:29:24,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,214 - INFO - moving on ...
-2024-12-09 10:29:24,214 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:24,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,216 - INFO - number of orbitals:  64
-2024-12-09 10:29:24,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,216 - INFO - moving on ...
-2024-12-09 10:29:24,216 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:24,216 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:24,216 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:24,216 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,216 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:24,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,218 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,218 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:24,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:24,218 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:24,237 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,237 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,237 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:24,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:24,237 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,237 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:24,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,239 - INFO - number of orbitals:  115
-2024-12-09 10:29:24,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,239 - INFO - moving on ...
-2024-12-09 10:29:24,239 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:24,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,241 - INFO - number of orbitals:  58
-2024-12-09 10:29:24,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,241 - INFO - moving on ...
-2024-12-09 10:29:24,241 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:24,241 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:24,241 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:24,241 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,241 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:24,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,242 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,242 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:24,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:24,242 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:24,259 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,259 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,259 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:24,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:24,260 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,260 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:24,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,261 - INFO - number of orbitals:  78
-2024-12-09 10:29:24,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,261 - INFO - moving on ...
-2024-12-09 10:29:24,261 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:24,261 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:24,261 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:24,261 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,261 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:24,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,263 - INFO - number of orbitals:  58
-2024-12-09 10:29:24,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,263 - INFO - moving on ...
-2024-12-09 10:29:24,263 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:24,263 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:24,263 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:24,263 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,263 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:24,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,264 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,264 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,264 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:24,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:24,265 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:24,281 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,281 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,281 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:24,281 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:24,281 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:24,281 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,282 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:24,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,283 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,283 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,283 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:24,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:24,283 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:24,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,300 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,300 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:24,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:24,300 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,300 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:24,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,301 - INFO - number of orbitals:  86
-2024-12-09 10:29:24,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,301 - INFO - moving on ...
-2024-12-09 10:29:24,301 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:24,302 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:24,302 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:24,302 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,302 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:24,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,303 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,303 - INFO - moving on ...
-2024-12-09 10:29:24,303 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:24,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,304 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,304 - INFO - moving on ...
-2024-12-09 10:29:24,304 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:24,305 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:24,305 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:24,305 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,305 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:24,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,306 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,306 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,306 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:24,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:24,306 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:24,321 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,322 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,322 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:24,322 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:24,322 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:24,322 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,322 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:24,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,323 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,323 - INFO - moving on ...
-2024-12-09 10:29:24,324 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:24,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,325 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,325 - INFO - moving on ...
-2024-12-09 10:29:24,325 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:24,325 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:24,325 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:24,325 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,325 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:24,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,326 - INFO - number of orbitals:  76
-2024-12-09 10:29:24,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,327 - INFO - moving on ...
-2024-12-09 10:29:24,327 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:24,327 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:24,327 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:24,327 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,327 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:24,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,328 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,328 - INFO - moving on ...
-2024-12-09 10:29:24,328 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:24,328 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:24,328 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:24,328 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,328 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:24,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,330 - INFO - number of orbitals:  48
-2024-12-09 10:29:24,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,330 - INFO - moving on ...
-2024-12-09 10:29:24,330 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:24,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,331 - INFO - number of orbitals:  116
-2024-12-09 10:29:24,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,331 - INFO - moving on ...
-2024-12-09 10:29:24,331 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:24,331 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:24,331 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:24,331 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,331 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:24,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,333 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,333 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,333 - INFO - moving on ...
-2024-12-09 10:29:24,333 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:24,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,334 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,334 - INFO - moving on ...
-2024-12-09 10:29:24,334 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:24,334 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:24,334 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:24,334 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,334 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:24,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,336 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,336 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:24,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:24,336 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:24,352 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,352 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,352 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:24,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:24,352 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,352 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:24,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,354 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,354 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,354 - INFO - moving on ...
-2024-12-09 10:29:24,354 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:24,355 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:24,355 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:24,355 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,355 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:24,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,357 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,357 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:24,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:24,357 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:24,375 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,375 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,375 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:24,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:24,375 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,375 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:24,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,377 - INFO - number of orbitals:  110
-2024-12-09 10:29:24,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,377 - INFO - moving on ...
-2024-12-09 10:29:24,377 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:24,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,378 - INFO - number of orbitals:  60
-2024-12-09 10:29:24,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,378 - INFO - moving on ...
-2024-12-09 10:29:24,378 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:24,378 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:24,378 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:24,378 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,378 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:24,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,380 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,380 - INFO - moving on ...
-2024-12-09 10:29:24,380 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:24,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,381 - INFO - number of orbitals:  135
-2024-12-09 10:29:24,381 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,381 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,381 - INFO - moving on ...
-2024-12-09 10:29:24,381 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:24,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,382 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,383 - INFO - moving on ...
-2024-12-09 10:29:24,383 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:24,383 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:24,383 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:24,383 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,383 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:24,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,384 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,384 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,384 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:24,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:24,384 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:24,400 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,401 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,401 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:24,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:24,401 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,401 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:24,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,403 - INFO - number of orbitals:  119
-2024-12-09 10:29:24,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,403 - INFO - moving on ...
-2024-12-09 10:29:24,403 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:24,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,404 - INFO - number of orbitals:  62
-2024-12-09 10:29:24,404 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,404 - INFO - moving on ...
-2024-12-09 10:29:24,404 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:24,404 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:24,404 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:24,404 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,404 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:24,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,406 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,406 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,406 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:24,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:24,406 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:24,422 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,423 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,423 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:24,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:24,423 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,423 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:24,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,424 - INFO - number of orbitals:  64
-2024-12-09 10:29:24,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,425 - INFO - moving on ...
-2024-12-09 10:29:24,425 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:24,425 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:24,425 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:24,425 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,425 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:24,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,426 - INFO - number of orbitals:  52
-2024-12-09 10:29:24,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,426 - INFO - moving on ...
-2024-12-09 10:29:24,426 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:24,427 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:24,427 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:24,427 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,427 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:24,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,428 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,428 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:24,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:24,428 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:24,445 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,446 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,446 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:24,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:24,446 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,446 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:24,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,447 - INFO - number of orbitals:  89
-2024-12-09 10:29:24,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,448 - INFO - moving on ...
-2024-12-09 10:29:24,448 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:24,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,449 - INFO - number of orbitals:  48
-2024-12-09 10:29:24,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,449 - INFO - moving on ...
-2024-12-09 10:29:24,449 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:24,449 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:24,449 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:24,449 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,449 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:24,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,451 - INFO - number of orbitals:  46
-2024-12-09 10:29:24,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,451 - INFO - moving on ...
-2024-12-09 10:29:24,451 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:24,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,452 - INFO - number of orbitals:  94
-2024-12-09 10:29:24,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,452 - INFO - moving on ...
-2024-12-09 10:29:24,452 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:24,452 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:24,452 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:24,452 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,452 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:24,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,454 - INFO - number of orbitals:  70
-2024-12-09 10:29:24,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,454 - INFO - moving on ...
-2024-12-09 10:29:24,454 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:24,454 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:24,454 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:24,454 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,454 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:24,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,455 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,455 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,455 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:24,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:24,455 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:24,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,472 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,472 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:24,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:24,472 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,473 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:24,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,474 - INFO - number of orbitals:  79
-2024-12-09 10:29:24,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,474 - INFO - moving on ...
-2024-12-09 10:29:24,474 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:24,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,476 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,476 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,476 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:24,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:24,476 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:24,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,492 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,492 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:24,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:24,492 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,492 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:24,492 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:24,492 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:24,492 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,492 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:24,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,493 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,493 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,494 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,494 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,494 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:24,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:24,495 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:24,509 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,510 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,510 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:24,510 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,510 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,510 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,512 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,512 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,512 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:24,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:24,512 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:24,528 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,528 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,528 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:24,528 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,528 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,528 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,530 - INFO - number of orbitals:  90
-2024-12-09 10:29:24,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,530 - INFO - moving on ...
-2024-12-09 10:29:24,530 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:24,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,531 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,532 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,532 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,532 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:24,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:24,532 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:24,548 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,549 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,549 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:24,549 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,549 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,549 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,551 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,551 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,551 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:24,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:24,551 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:24,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,567 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,567 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:24,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,569 - INFO - number of orbitals:  90
-2024-12-09 10:29:24,569 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,569 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,569 - INFO - moving on ...
-2024-12-09 10:29:24,569 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:24,569 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:24,569 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:24,570 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,570 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:24,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,571 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,571 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,571 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:24,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:24,571 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:24,587 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,587 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,587 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:24,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:24,587 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,587 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:24,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,589 - INFO - number of orbitals:  115
-2024-12-09 10:29:24,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,589 - INFO - moving on ...
-2024-12-09 10:29:24,589 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:24,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,590 - INFO - number of orbitals:  58
-2024-12-09 10:29:24,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,590 - INFO - moving on ...
-2024-12-09 10:29:24,591 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:24,591 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:24,591 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:24,591 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,591 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:24,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,592 - INFO - number of orbitals:  76
-2024-12-09 10:29:24,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,592 - INFO - moving on ...
-2024-12-09 10:29:24,592 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:24,592 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:24,592 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:24,592 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,592 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:24,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,593 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,594 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,594 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:24,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:24,594 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:24,609 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,610 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,610 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:24,610 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:24,610 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:24,610 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,610 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:24,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,610 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,610 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,612 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:24,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:24,612 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:24,627 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,628 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,628 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:24,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,630 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,630 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,630 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:24,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:24,630 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:24,645 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,646 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,646 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:24,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,646 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,648 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,648 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:24,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:24,648 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:24,663 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,664 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,664 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:24,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,666 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,666 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:24,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:24,666 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:24,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,682 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,682 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:24,682 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,683 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,685 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,685 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,685 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:24,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:24,685 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:24,701 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,701 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,702 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:24,702 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,704 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,704 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,704 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:24,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:24,704 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:24,720 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,720 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,720 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:24,721 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:24,721 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:24,721 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,721 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:24,721 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,721 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,721 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,723 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,723 - INFO - moving on ...
-2024-12-09 10:29:24,723 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:24,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,725 - INFO - number of orbitals:  70
-2024-12-09 10:29:24,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,725 - INFO - moving on ...
-2024-12-09 10:29:24,725 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:24,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,727 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,727 - INFO - moving on ...
-2024-12-09 10:29:24,727 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:24,727 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:24,727 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:24,727 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,727 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:24,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,728 - INFO - number of orbitals:  76
-2024-12-09 10:29:24,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,729 - INFO - moving on ...
-2024-12-09 10:29:24,729 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:24,729 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:24,729 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:24,729 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,729 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:24,729 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,729 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,729 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,731 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,731 - INFO - moving on ...
-2024-12-09 10:29:24,731 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:24,731 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,731 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,731 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,733 - INFO - number of orbitals:  70
-2024-12-09 10:29:24,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,733 - INFO - moving on ...
-2024-12-09 10:29:24,733 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:24,733 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,735 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,735 - INFO - moving on ...
-2024-12-09 10:29:24,735 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:24,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,737 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,737 - INFO - moving on ...
-2024-12-09 10:29:24,737 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:24,737 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,737 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,737 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,739 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,739 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,739 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:24,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:24,739 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:24,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,754 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,754 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:24,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,757 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,757 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:24,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:24,757 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:24,773 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,773 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,774 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:24,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,774 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,774 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,776 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,776 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,776 - INFO - moving on ...
-2024-12-09 10:29:24,776 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:24,776 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,776 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,776 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,778 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,778 - INFO - moving on ...
-2024-12-09 10:29:24,778 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:24,778 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,778 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,778 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,780 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,780 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,780 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:24,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:24,780 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:24,797 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,798 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,798 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:24,798 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,798 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,798 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,800 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,800 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,800 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:24,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:24,800 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:24,816 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,817 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,817 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:24,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,817 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,817 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,819 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,819 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,819 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:24,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:24,819 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:24,834 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,835 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,835 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:24,835 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,835 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,835 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,837 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,837 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,837 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:24,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:24,837 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:24,853 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,853 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,853 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:24,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,855 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,855 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:24,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:24,855 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:24,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,873 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,873 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:24,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,875 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,875 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:24,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:24,875 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:24,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,892 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,892 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:24,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,894 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,894 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:24,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:24,894 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:24,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,911 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,911 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:24,911 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,911 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,911 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,913 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,913 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:24,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:24,913 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:24,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,930 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,930 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:24,930 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:24,930 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:24,930 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,930 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:24,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,932 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,932 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:24,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:24,932 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:24,948 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,949 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,949 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:24,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:24,949 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,949 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:24,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,950 - INFO - number of orbitals:  90
-2024-12-09 10:29:24,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,950 - INFO - moving on ...
-2024-12-09 10:29:24,950 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:24,951 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:24,951 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:24,951 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,951 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:24,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,952 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,952 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:24,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:24,952 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:24,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,968 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,968 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:24,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:24,968 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,968 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:24,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,970 - INFO - number of orbitals:  118
-2024-12-09 10:29:24,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,970 - INFO - moving on ...
-2024-12-09 10:29:24,970 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:24,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,971 - INFO - number of orbitals:  68
-2024-12-09 10:29:24,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,971 - INFO - moving on ...
-2024-12-09 10:29:24,971 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:24,972 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:24,972 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:24,972 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,972 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:24,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,973 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,973 - INFO - moving on ...
-2024-12-09 10:29:24,973 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:24,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,974 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,974 - INFO - moving on ...
-2024-12-09 10:29:24,974 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:24,974 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:24,974 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:24,974 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,975 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:24,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,976 - INFO - number of orbitals:  66
-2024-12-09 10:29:24,976 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,976 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,976 - INFO - moving on ...
-2024-12-09 10:29:24,976 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:24,976 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:24,976 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:24,976 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,976 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:24,976 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,976 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,976 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,978 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,978 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,978 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:24,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:24,978 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:24,994 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,994 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,994 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:24,994 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,994 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,994 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,996 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,996 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,996 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:24,996 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:24,996 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:25,013 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,014 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,014 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:25,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,016 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,016 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,016 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:25,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:25,016 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,032 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,033 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,033 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:25,033 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,033 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,033 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,035 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,035 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,035 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:25,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:25,035 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,051 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,051 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,051 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:25,051 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,054 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,054 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:25,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:25,054 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:25,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,070 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,070 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:25,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,072 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,072 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:25,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:25,072 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:25,087 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,088 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,088 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:25,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,090 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,090 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:25,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:25,090 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:25,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,107 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,107 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:25,107 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,107 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,107 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,109 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,109 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,109 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:25,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:25,109 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:25,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,126 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,127 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:25,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,129 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,129 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:25,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:25,129 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:25,146 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,146 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,146 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:25,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,146 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,146 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,149 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,149 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:25,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:25,149 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:25,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,165 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,165 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:25,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,167 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,168 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,168 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:25,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:25,168 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,184 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,185 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:25,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,187 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,187 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,187 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:25,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:25,187 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:25,203 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,203 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,203 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:25,204 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:25,204 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:25,204 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,204 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:25,204 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,204 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,204 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,206 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,206 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,206 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:25,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:25,206 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:25,222 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,223 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,223 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:25,223 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,223 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,223 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,225 - INFO - number of orbitals:  108
-2024-12-09 10:29:25,225 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,225 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,225 - INFO - moving on ...
-2024-12-09 10:29:25,225 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:25,225 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:25,225 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:25,225 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,225 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:25,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,227 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,227 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,227 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,227 - INFO - moving on ...
-2024-12-09 10:29:25,227 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:25,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,228 - INFO - number of orbitals:  135
-2024-12-09 10:29:25,228 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,228 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,228 - INFO - moving on ...
-2024-12-09 10:29:25,228 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:25,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,229 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,229 - INFO - moving on ...
-2024-12-09 10:29:25,229 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:25,230 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:25,230 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:25,230 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,230 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:25,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,231 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,231 - INFO - moving on ...
-2024-12-09 10:29:25,231 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:25,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,232 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,232 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,232 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,232 - INFO - moving on ...
-2024-12-09 10:29:25,232 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:25,232 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:25,233 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:25,233 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,233 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:25,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,234 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,234 - INFO - moving on ...
-2024-12-09 10:29:25,234 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:25,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,235 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,235 - INFO - moving on ...
-2024-12-09 10:29:25,235 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:25,236 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:25,236 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:25,236 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,236 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:25,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,237 - INFO - number of orbitals:  76
-2024-12-09 10:29:25,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,237 - INFO - moving on ...
-2024-12-09 10:29:25,237 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:25,237 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:25,237 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:25,237 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,237 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:25,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,239 - INFO - number of orbitals:  76
-2024-12-09 10:29:25,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,239 - INFO - moving on ...
-2024-12-09 10:29:25,239 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:25,239 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:25,239 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:25,239 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,239 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:25,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,240 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,240 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:25,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:25,241 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:25,256 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,257 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,257 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:25,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:25,257 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,257 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:25,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,259 - INFO - number of orbitals:  118
-2024-12-09 10:29:25,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,259 - INFO - moving on ...
-2024-12-09 10:29:25,259 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:25,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,260 - INFO - number of orbitals:  68
-2024-12-09 10:29:25,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,260 - INFO - moving on ...
-2024-12-09 10:29:25,260 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:25,261 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:25,261 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:25,261 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,261 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:25,261 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,261 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,261 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,262 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,263 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,263 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:25,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:25,263 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,278 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,279 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,279 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:25,279 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,279 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,279 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,281 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,281 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,281 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:25,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:25,281 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:25,297 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,298 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,298 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:25,298 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,298 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,298 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,300 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,300 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,300 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:25,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:25,300 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:25,317 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,317 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,317 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:25,317 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,317 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,317 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,319 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,319 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,319 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:25,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:25,319 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,335 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,336 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,336 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:25,336 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,336 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,336 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,338 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,338 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,338 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:25,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:25,338 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:25,355 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,356 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,356 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:25,356 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,356 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,356 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,358 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,358 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,358 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:25,358 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:25,358 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:25,374 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,375 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,375 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:25,375 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,375 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,375 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,377 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,377 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,377 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:25,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:25,377 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:25,393 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,393 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,393 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:25,393 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,395 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,395 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,395 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:25,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:25,396 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:25,411 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,411 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,411 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:25,411 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:25,411 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:25,411 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,411 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:25,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,413 - INFO - number of orbitals:  76
-2024-12-09 10:29:25,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,413 - INFO - moving on ...
-2024-12-09 10:29:25,413 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:25,413 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:25,413 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:25,413 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,413 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:25,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,415 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,415 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,415 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:25,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:25,415 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:25,432 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,432 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,432 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:25,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:25,433 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,433 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:25,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,434 - INFO - number of orbitals:  76
-2024-12-09 10:29:25,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,434 - INFO - moving on ...
-2024-12-09 10:29:25,434 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:25,434 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:25,435 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:25,435 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,435 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:25,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,436 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,436 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,436 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:25,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:25,436 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:25,452 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,453 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,453 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:25,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:25,453 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,453 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:25,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,455 - INFO - number of orbitals:  119
-2024-12-09 10:29:25,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,455 - INFO - moving on ...
-2024-12-09 10:29:25,455 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:25,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,456 - INFO - number of orbitals:  62
-2024-12-09 10:29:25,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,456 - INFO - moving on ...
-2024-12-09 10:29:25,456 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:25,456 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:25,456 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:25,456 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,456 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:25,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,457 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,458 - INFO - moving on ...
-2024-12-09 10:29:25,458 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:25,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,459 - INFO - number of orbitals:  135
-2024-12-09 10:29:25,459 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,459 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,459 - INFO - moving on ...
-2024-12-09 10:29:25,459 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:25,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,460 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,460 - INFO - moving on ...
-2024-12-09 10:29:25,460 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:25,460 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:25,460 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:25,460 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,460 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:25,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,462 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,462 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,462 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:25,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:25,462 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:25,477 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,477 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,477 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:25,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:25,477 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,477 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:25,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,479 - INFO - number of orbitals:  118
-2024-12-09 10:29:25,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,479 - INFO - moving on ...
-2024-12-09 10:29:25,479 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:25,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,480 - INFO - number of orbitals:  68
-2024-12-09 10:29:25,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,480 - INFO - moving on ...
-2024-12-09 10:29:25,480 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:25,480 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:25,480 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:25,480 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,480 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:25,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,481 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,482 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,482 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:25,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:25,482 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:25,497 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,497 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,497 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:25,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:25,497 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,497 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:25,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,499 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,499 - INFO - moving on ...
-2024-12-09 10:29:25,499 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:25,499 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:25,499 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:25,499 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,499 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:25,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,500 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,500 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,500 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:25,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:25,500 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:25,516 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,516 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,516 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:25,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:25,516 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,516 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:25,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,517 - INFO - number of orbitals:  110
-2024-12-09 10:29:25,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,518 - INFO - moving on ...
-2024-12-09 10:29:25,518 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:25,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,519 - INFO - number of orbitals:  60
-2024-12-09 10:29:25,519 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,519 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,519 - INFO - moving on ...
-2024-12-09 10:29:25,519 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:25,519 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:25,519 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:25,519 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,519 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:25,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,520 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,521 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,521 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:25,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:25,521 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:25,537 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,537 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,537 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:25,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:25,537 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,537 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:25,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,539 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,539 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,539 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,539 - INFO - moving on ...
-2024-12-09 10:29:25,539 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:25,539 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:25,539 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:25,539 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,539 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:25,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,540 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,541 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,541 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:25,541 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:25,541 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:25,556 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,557 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,557 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:25,557 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:25,557 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:25,557 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,557 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:25,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,559 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,559 - INFO - moving on ...
-2024-12-09 10:29:25,559 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:25,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,560 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,560 - INFO - moving on ...
-2024-12-09 10:29:25,560 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:25,560 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:25,560 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:25,560 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,560 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:25,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,562 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,562 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:25,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:25,562 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:25,578 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,578 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,578 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:25,579 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:25,579 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:25,579 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,579 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:25,579 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,579 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,579 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,581 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,581 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,581 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:25,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:25,581 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:25,597 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,598 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,598 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:25,598 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,598 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,598 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,600 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,600 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,600 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:25,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:25,600 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:25,616 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,617 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,617 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:25,617 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,619 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,619 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,619 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:25,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:25,619 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:25,634 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,635 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,635 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:25,635 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,635 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,635 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,637 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,637 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,637 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:25,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:25,637 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:25,653 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,653 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,653 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:25,653 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:25,654 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:25,654 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,654 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:25,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,655 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,655 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,655 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:25,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:25,655 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:25,670 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,670 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,670 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:25,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:25,671 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,671 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:25,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,672 - INFO - number of orbitals:  85
-2024-12-09 10:29:25,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,672 - INFO - moving on ...
-2024-12-09 10:29:25,672 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:25,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,673 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,673 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,673 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:25,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:25,673 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,689 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,689 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,689 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:25,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:25,689 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,689 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:25,690 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:25,690 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:25,690 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,690 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:25,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,691 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,691 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,691 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:25,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:25,691 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,707 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,707 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,707 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:25,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:25,708 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,708 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:25,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,709 - INFO - number of orbitals:  110
-2024-12-09 10:29:25,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,709 - INFO - moving on ...
-2024-12-09 10:29:25,709 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:25,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,710 - INFO - number of orbitals:  60
-2024-12-09 10:29:25,710 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,710 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,710 - INFO - moving on ...
-2024-12-09 10:29:25,710 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:25,711 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:25,711 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:25,711 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,711 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:25,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,712 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,712 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,712 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:25,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:25,712 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:25,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,728 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,728 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:25,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:25,728 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,728 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:25,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,730 - INFO - number of orbitals:  85
-2024-12-09 10:29:25,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,730 - INFO - moving on ...
-2024-12-09 10:29:25,730 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:25,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,731 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,731 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,731 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:25,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:25,731 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:25,747 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,748 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,748 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:25,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:25,748 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,748 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:25,748 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:25,748 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:25,748 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,748 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:25,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,750 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,750 - INFO - moving on ...
-2024-12-09 10:29:25,750 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:25,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,751 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,751 - INFO - moving on ...
-2024-12-09 10:29:25,751 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:25,751 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:25,751 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:25,751 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,751 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:25,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,753 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,753 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:25,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:25,753 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:25,768 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,769 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,769 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:25,769 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:25,769 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:25,769 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,769 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:25,769 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,769 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,769 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,771 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,771 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,771 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:25,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:25,771 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:25,787 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,788 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,788 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:25,788 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,788 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,788 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,790 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,790 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,790 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:25,790 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:25,790 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:25,806 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,807 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,807 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:25,807 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,807 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,807 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,809 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,809 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,809 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:25,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:25,809 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:25,825 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,825 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,825 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:25,825 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,827 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,828 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,828 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:25,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:25,828 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:25,843 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,844 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,844 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:25,844 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,844 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,844 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,846 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,846 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,846 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:25,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:25,846 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:25,862 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,863 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,863 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:25,863 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,863 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,863 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,865 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,865 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,865 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:25,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:25,865 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:25,881 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,882 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,882 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:25,882 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,882 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,882 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,884 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,884 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,884 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:25,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:25,884 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:25,900 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,900 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,901 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:25,901 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,901 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,901 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,903 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,903 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,903 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:25,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:25,903 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:25,919 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,919 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,919 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:25,919 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,919 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,919 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,921 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,921 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,921 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:25,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:25,921 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:25,937 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,937 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,937 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:25,938 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:25,938 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:25,938 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,938 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:25,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,939 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,939 - INFO - moving on ...
-2024-12-09 10:29:25,939 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:25,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,941 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,941 - INFO - moving on ...
-2024-12-09 10:29:25,941 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:25,941 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:25,942 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:25,942 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,942 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:25,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,943 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,943 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,943 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:25,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:25,943 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:25,960 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,960 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,960 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:25,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:25,960 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,960 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:25,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,962 - INFO - number of orbitals:  72
-2024-12-09 10:29:25,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,962 - INFO - moving on ...
-2024-12-09 10:29:25,962 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:25,962 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:25,962 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:25,962 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,962 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:25,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,964 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,964 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,964 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:25,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:25,964 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:25,980 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,981 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,981 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:25,981 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:25,981 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:25,981 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,981 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:25,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,982 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,982 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,983 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:25,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:25,983 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:25,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,999 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,999 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:25,999 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:25,999 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,999 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:25,999 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:25,999 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:25,999 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,000 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:26,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,001 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,001 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,001 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:26,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:26,001 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:26,017 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,018 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,018 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:26,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:26,018 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,018 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:26,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,019 - INFO - number of orbitals:  116
-2024-12-09 10:29:26,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,019 - INFO - moving on ...
-2024-12-09 10:29:26,019 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:26,020 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:26,020 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:26,020 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,020 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:26,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,021 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,021 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,021 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:26,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:26,021 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,037 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,037 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,037 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:26,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:26,037 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,037 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:26,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,039 - INFO - number of orbitals:  79
-2024-12-09 10:29:26,039 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,039 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,039 - INFO - moving on ...
-2024-12-09 10:29:26,039 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:26,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,040 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,040 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,040 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:26,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:26,040 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:26,056 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,057 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,057 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:26,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:26,057 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,057 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:26,057 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:26,057 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:26,057 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,057 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:26,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,059 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,060 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:26,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:26,060 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:26,076 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,076 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,076 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:26,076 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,076 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,076 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,078 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,078 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,078 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:26,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:26,078 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:26,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,095 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,095 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:26,095 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,095 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,095 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,097 - INFO - number of orbitals:  68
-2024-12-09 10:29:26,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,098 - INFO - moving on ...
-2024-12-09 10:29:26,098 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:26,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,100 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,100 - INFO - moving on ...
-2024-12-09 10:29:26,100 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:26,100 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,100 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,100 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,102 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,102 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,102 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:26,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:26,102 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:26,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,118 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,118 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:26,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,120 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,120 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,120 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:26,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:26,120 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:26,136 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,136 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,136 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:26,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,138 - INFO - number of orbitals:  68
-2024-12-09 10:29:26,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,139 - INFO - moving on ...
-2024-12-09 10:29:26,139 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:26,139 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,139 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,139 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,140 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,140 - INFO - moving on ...
-2024-12-09 10:29:26,141 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:26,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,142 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,142 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,142 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:26,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:26,142 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:26,158 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,159 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,159 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:26,159 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,159 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,159 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,161 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,161 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:26,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:26,161 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,177 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,178 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:26,178 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,178 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,178 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,180 - INFO - number of orbitals:  68
-2024-12-09 10:29:26,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,180 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,180 - INFO - moving on ...
-2024-12-09 10:29:26,180 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:26,180 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,180 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,180 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,182 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,182 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,182 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,182 - INFO - moving on ...
-2024-12-09 10:29:26,182 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:26,182 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:26,182 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:26,182 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,182 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:26,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,184 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,184 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,184 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:26,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:26,184 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:26,200 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,200 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,200 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:26,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:26,201 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,201 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:26,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,202 - INFO - number of orbitals:  55
-2024-12-09 10:29:26,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,202 - INFO - moving on ...
-2024-12-09 10:29:26,202 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:26,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,204 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,204 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:26,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:26,204 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:26,222 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,222 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,223 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:26,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:26,223 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,223 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:26,223 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:26,223 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:26,223 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,223 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:26,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,225 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,225 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,225 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:26,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:26,225 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:26,242 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,243 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,243 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:26,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:26,243 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,243 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:26,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,245 - INFO - number of orbitals:  110
-2024-12-09 10:29:26,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,245 - INFO - moving on ...
-2024-12-09 10:29:26,245 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:26,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,246 - INFO - number of orbitals:  60
-2024-12-09 10:29:26,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,246 - INFO - moving on ...
-2024-12-09 10:29:26,246 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:26,246 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:26,246 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:26,246 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,246 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:26,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,248 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,248 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,248 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:26,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:26,248 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:26,266 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,266 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,266 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:26,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:26,267 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,267 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:26,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,268 - INFO - number of orbitals:  110
-2024-12-09 10:29:26,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,268 - INFO - moving on ...
-2024-12-09 10:29:26,268 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:26,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,270 - INFO - number of orbitals:  60
-2024-12-09 10:29:26,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,270 - INFO - moving on ...
-2024-12-09 10:29:26,270 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:26,270 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:26,270 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:26,270 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,270 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:26,270 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,270 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,272 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,272 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:26,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:26,273 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:26,289 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,290 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,290 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:26,290 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,290 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,292 - INFO - number of orbitals:  53
-2024-12-09 10:29:26,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,292 - INFO - moving on ...
-2024-12-09 10:29:26,292 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:26,292 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,292 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,292 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,294 - INFO - number of orbitals:  58
-2024-12-09 10:29:26,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,294 - INFO - moving on ...
-2024-12-09 10:29:26,294 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:26,294 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,294 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,294 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,296 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,296 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:26,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:26,296 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:26,312 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,312 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,312 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:26,312 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,313 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,313 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,315 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,315 - INFO - moving on ...
-2024-12-09 10:29:26,315 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:26,315 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,315 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,315 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,317 - INFO - number of orbitals:  55
-2024-12-09 10:29:26,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,317 - INFO - moving on ...
-2024-12-09 10:29:26,317 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:26,317 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,317 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,317 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,319 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,319 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,319 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:26,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:26,319 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,335 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,336 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,336 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:26,336 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,336 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,336 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,338 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,338 - INFO - moving on ...
-2024-12-09 10:29:26,338 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:26,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,340 - INFO - number of orbitals:  55
-2024-12-09 10:29:26,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,340 - INFO - moving on ...
-2024-12-09 10:29:26,340 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:26,340 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:26,340 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:26,340 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,340 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:26,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,342 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,342 - INFO - moving on ...
-2024-12-09 10:29:26,342 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:26,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,343 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,343 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,343 - INFO - moving on ...
-2024-12-09 10:29:26,343 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:26,343 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:26,343 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:26,344 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,344 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:26,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,345 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,345 - INFO - moving on ...
-2024-12-09 10:29:26,345 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:26,345 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:26,345 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:26,345 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,345 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:26,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,346 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,346 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,346 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:26,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:26,347 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:26,363 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,363 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,363 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:26,363 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:26,363 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:26,363 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,364 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:26,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,365 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,365 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,365 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:26,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:26,365 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:26,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,382 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,382 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:26,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:26,382 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,382 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:26,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,383 - INFO - number of orbitals:  74
-2024-12-09 10:29:26,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,383 - INFO - moving on ...
-2024-12-09 10:29:26,383 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:26,383 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:26,383 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:26,383 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,384 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:26,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,385 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,385 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,385 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:26,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:26,385 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,401 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,401 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,402 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:26,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:26,402 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,402 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:26,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,403 - INFO - number of orbitals:  90
-2024-12-09 10:29:26,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,403 - INFO - moving on ...
-2024-12-09 10:29:26,403 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:26,403 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:26,404 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:26,404 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,404 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:26,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,405 - INFO - number of orbitals:  69
-2024-12-09 10:29:26,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,405 - INFO - moving on ...
-2024-12-09 10:29:26,405 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:26,405 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:26,405 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:26,405 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,405 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:26,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,406 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,407 - INFO - moving on ...
-2024-12-09 10:29:26,407 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:26,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,408 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,408 - INFO - moving on ...
-2024-12-09 10:29:26,408 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:26,408 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:26,408 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:26,408 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,408 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:26,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,410 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,410 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,410 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:26,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:26,410 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:26,427 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,427 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,427 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:26,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:26,427 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,427 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:26,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,429 - INFO - number of orbitals:  106
-2024-12-09 10:29:26,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,429 - INFO - moving on ...
-2024-12-09 10:29:26,429 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:26,429 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:26,429 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:26,429 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,429 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:26,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,431 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,431 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,431 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:26,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:26,431 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:26,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,448 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,448 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:26,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:26,448 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,448 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:26,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,450 - INFO - number of orbitals:  118
-2024-12-09 10:29:26,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,450 - INFO - moving on ...
-2024-12-09 10:29:26,450 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:26,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,451 - INFO - number of orbitals:  68
-2024-12-09 10:29:26,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,451 - INFO - moving on ...
-2024-12-09 10:29:26,451 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:26,451 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:26,451 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:26,451 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,452 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:26,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,453 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,453 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:26,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:26,453 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:26,469 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,470 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,470 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:26,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:26,470 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,470 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:26,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,471 - INFO - number of orbitals:  114
-2024-12-09 10:29:26,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,472 - INFO - moving on ...
-2024-12-09 10:29:26,472 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:26,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,473 - INFO - number of orbitals:  64
-2024-12-09 10:29:26,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,473 - INFO - moving on ...
-2024-12-09 10:29:26,473 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:26,473 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:26,473 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:26,473 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,473 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:26,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,474 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,475 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,475 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:26,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:26,475 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:26,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,491 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,491 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:26,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:26,491 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,491 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:26,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,493 - INFO - number of orbitals:  115
-2024-12-09 10:29:26,493 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,493 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,493 - INFO - moving on ...
-2024-12-09 10:29:26,493 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:26,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,494 - INFO - number of orbitals:  58
-2024-12-09 10:29:26,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,495 - INFO - moving on ...
-2024-12-09 10:29:26,495 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:26,495 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:26,495 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:26,495 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,495 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:26,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,496 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,496 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,496 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:26,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:26,496 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:26,513 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,513 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,513 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:26,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:26,513 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,514 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:26,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,515 - INFO - number of orbitals:  78
-2024-12-09 10:29:26,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,515 - INFO - moving on ...
-2024-12-09 10:29:26,515 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:26,515 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:26,515 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:26,515 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,516 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:26,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,517 - INFO - number of orbitals:  58
-2024-12-09 10:29:26,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,517 - INFO - moving on ...
-2024-12-09 10:29:26,517 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:26,517 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:26,517 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:26,517 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,517 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:26,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,519 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,519 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,519 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:26,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:26,519 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:26,535 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,535 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,535 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:26,536 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:26,536 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:26,536 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,536 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:26,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,537 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,537 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,537 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:26,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:26,538 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:26,554 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,555 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,555 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:26,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:26,555 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,555 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:26,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,556 - INFO - number of orbitals:  86
-2024-12-09 10:29:26,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,557 - INFO - moving on ...
-2024-12-09 10:29:26,557 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:26,557 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:26,557 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:26,557 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,557 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:26,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,558 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,558 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,558 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,558 - INFO - moving on ...
-2024-12-09 10:29:26,558 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:26,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,560 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,560 - INFO - moving on ...
-2024-12-09 10:29:26,560 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:26,560 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:26,560 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:26,560 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,560 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:26,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,561 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,561 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,562 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:26,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:26,562 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:26,579 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,580 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,580 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:26,580 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:26,580 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:26,580 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,580 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:26,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,582 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,582 - INFO - moving on ...
-2024-12-09 10:29:26,582 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:26,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,583 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,583 - INFO - moving on ...
-2024-12-09 10:29:26,583 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:26,583 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:26,583 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:26,583 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,583 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:26,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,585 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,585 - INFO - moving on ...
-2024-12-09 10:29:26,585 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:26,585 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:26,585 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:26,585 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,585 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:26,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,586 - INFO - number of orbitals:  69
-2024-12-09 10:29:26,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,587 - INFO - moving on ...
-2024-12-09 10:29:26,587 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:26,587 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:26,587 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:26,587 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,587 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:26,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,588 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,588 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,588 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:26,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:26,588 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,605 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,605 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,605 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:26,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:26,606 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,606 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:26,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,607 - INFO - number of orbitals:  116
-2024-12-09 10:29:26,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,607 - INFO - moving on ...
-2024-12-09 10:29:26,607 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:26,608 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:26,608 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:26,608 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,608 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:26,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,609 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,609 - INFO - moving on ...
-2024-12-09 10:29:26,609 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:26,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,610 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,610 - INFO - moving on ...
-2024-12-09 10:29:26,610 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:26,611 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:26,611 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:26,611 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,611 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:26,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,612 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,612 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:26,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:26,612 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:26,629 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,629 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,629 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:26,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:26,629 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,629 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:26,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,631 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,631 - INFO - moving on ...
-2024-12-09 10:29:26,631 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:26,631 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:26,631 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:26,631 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,631 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:26,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,632 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,632 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,633 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:26,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:26,633 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:26,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,649 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,649 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:26,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:26,650 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,650 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:26,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,651 - INFO - number of orbitals:  110
-2024-12-09 10:29:26,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,651 - INFO - moving on ...
-2024-12-09 10:29:26,651 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:26,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,652 - INFO - number of orbitals:  60
-2024-12-09 10:29:26,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,653 - INFO - moving on ...
-2024-12-09 10:29:26,653 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:26,653 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:26,653 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:26,653 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,653 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:26,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,654 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,654 - INFO - moving on ...
-2024-12-09 10:29:26,654 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:26,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,655 - INFO - number of orbitals:  135
-2024-12-09 10:29:26,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,656 - INFO - moving on ...
-2024-12-09 10:29:26,656 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:26,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,657 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,657 - INFO - moving on ...
-2024-12-09 10:29:26,657 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:26,657 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:26,657 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:26,657 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,657 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:26,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,658 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,659 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,659 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:26,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:26,659 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:26,677 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,677 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,677 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:26,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:26,678 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,678 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:26,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,679 - INFO - number of orbitals:  119
-2024-12-09 10:29:26,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,680 - INFO - moving on ...
-2024-12-09 10:29:26,680 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:26,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,681 - INFO - number of orbitals:  62
-2024-12-09 10:29:26,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,681 - INFO - moving on ...
-2024-12-09 10:29:26,681 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:26,681 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:26,681 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:26,681 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,682 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:26,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,683 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,683 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,683 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:26,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:26,683 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:26,700 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,700 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,700 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:26,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:26,700 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,700 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:26,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,702 - INFO - number of orbitals:  64
-2024-12-09 10:29:26,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,702 - INFO - moving on ...
-2024-12-09 10:29:26,702 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:26,702 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:26,702 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:26,702 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,702 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:26,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,704 - INFO - number of orbitals:  52
-2024-12-09 10:29:26,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,704 - INFO - moving on ...
-2024-12-09 10:29:26,704 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:26,704 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:26,704 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:26,704 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,704 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:26,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,705 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,705 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:26,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:26,705 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:26,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,723 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,723 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:26,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:26,723 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,723 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:26,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,725 - INFO - number of orbitals:  89
-2024-12-09 10:29:26,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,725 - INFO - moving on ...
-2024-12-09 10:29:26,725 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:26,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,726 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,726 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,727 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:26,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:26,727 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:26,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,744 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,744 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:26,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:26,744 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,744 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:26,745 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:26,745 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:26,745 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,745 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:26,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,746 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,747 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,747 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:26,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:26,747 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:26,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,765 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,765 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:26,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:26,765 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,765 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:26,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,767 - INFO - number of orbitals:  94
-2024-12-09 10:29:26,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,767 - INFO - moving on ...
-2024-12-09 10:29:26,767 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:26,767 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:26,767 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:26,767 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,767 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:26,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,769 - INFO - number of orbitals:  70
-2024-12-09 10:29:26,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,769 - INFO - moving on ...
-2024-12-09 10:29:26,769 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:26,769 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:26,769 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:26,769 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,769 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:26,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,771 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,771 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,771 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:26,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:26,771 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:26,790 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,791 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,791 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:26,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:26,791 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,791 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:26,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,792 - INFO - number of orbitals:  79
-2024-12-09 10:29:26,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,792 - INFO - moving on ...
-2024-12-09 10:29:26,792 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:26,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,794 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,794 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,794 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:26,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:26,794 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:26,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,810 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,810 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:26,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:26,810 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,810 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:26,810 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:26,810 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:26,810 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,811 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:26,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,813 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,813 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,813 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:26,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:26,813 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:26,829 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,830 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,830 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:26,830 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,830 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,830 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,832 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,832 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,832 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:26,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:26,832 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:26,849 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,849 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,849 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:26,849 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,849 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,849 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,851 - INFO - number of orbitals:  90
-2024-12-09 10:29:26,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,851 - INFO - moving on ...
-2024-12-09 10:29:26,851 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:26,851 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,852 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,853 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,853 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,854 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:26,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:26,854 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:26,870 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,871 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,871 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:26,871 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,873 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,873 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,873 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:26,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:26,873 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:26,889 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,890 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,890 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:26,890 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,890 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,890 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,892 - INFO - number of orbitals:  90
-2024-12-09 10:29:26,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,892 - INFO - moving on ...
-2024-12-09 10:29:26,892 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:26,892 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:26,892 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:26,892 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,892 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:26,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,894 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,894 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:26,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:26,894 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:26,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,910 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,910 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:26,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:26,910 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,910 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:26,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,912 - INFO - number of orbitals:  115
-2024-12-09 10:29:26,912 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,912 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,912 - INFO - moving on ...
-2024-12-09 10:29:26,912 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:26,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,913 - INFO - number of orbitals:  58
-2024-12-09 10:29:26,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,913 - INFO - moving on ...
-2024-12-09 10:29:26,913 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:26,913 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:26,913 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:26,914 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,914 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:26,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,915 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,915 - INFO - moving on ...
-2024-12-09 10:29:26,915 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:26,915 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:26,915 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:26,915 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,915 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:26,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,916 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,916 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,917 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:26,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:26,917 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:26,933 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,933 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,934 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:26,934 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:26,934 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:26,934 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,934 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:26,934 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,934 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,934 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,936 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,936 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,936 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:26,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:26,937 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,953 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,954 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,954 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:26,954 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,954 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,954 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,956 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,956 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,956 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:26,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:26,956 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:26,972 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,973 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,973 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:26,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,973 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,973 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,975 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,975 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,975 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:26,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:26,975 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:26,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,992 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,992 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:26,992 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,992 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,992 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,994 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,994 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:26,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:26,994 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:27,010 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,010 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,010 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:27,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,011 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,011 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,013 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,013 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:27,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:27,013 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:27,029 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,029 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,029 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:27,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,031 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,031 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:27,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:27,031 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,048 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,048 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:27,048 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:27,048 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:27,048 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,048 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:27,048 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,049 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,050 - INFO - number of orbitals:  69
-2024-12-09 10:29:27,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,051 - INFO - moving on ...
-2024-12-09 10:29:27,051 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:27,051 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,051 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,051 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,053 - INFO - number of orbitals:  70
-2024-12-09 10:29:27,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,053 - INFO - moving on ...
-2024-12-09 10:29:27,053 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:27,053 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,053 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,053 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,055 - INFO - number of orbitals:  69
-2024-12-09 10:29:27,055 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,055 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,055 - INFO - moving on ...
-2024-12-09 10:29:27,055 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:27,055 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:27,055 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:27,055 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,055 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:27,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,056 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,056 - INFO - moving on ...
-2024-12-09 10:29:27,056 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:27,057 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:27,057 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:27,057 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,057 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:27,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,057 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,059 - INFO - number of orbitals:  55
-2024-12-09 10:29:27,059 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,059 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,059 - INFO - moving on ...
-2024-12-09 10:29:27,059 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:27,059 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,059 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,061 - INFO - number of orbitals:  70
-2024-12-09 10:29:27,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,061 - INFO - moving on ...
-2024-12-09 10:29:27,061 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:27,061 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,061 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,061 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,063 - INFO - number of orbitals:  55
-2024-12-09 10:29:27,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,063 - INFO - moving on ...
-2024-12-09 10:29:27,063 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:27,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,065 - INFO - number of orbitals:  69
-2024-12-09 10:29:27,065 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,065 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,065 - INFO - moving on ...
-2024-12-09 10:29:27,065 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:27,065 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,065 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,065 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,066 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,067 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,067 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:27,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:27,067 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:27,083 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,084 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,084 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:27,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,086 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,086 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:27,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:27,086 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:27,103 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,103 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,103 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:27,103 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,103 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,103 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,105 - INFO - number of orbitals:  55
-2024-12-09 10:29:27,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,105 - INFO - moving on ...
-2024-12-09 10:29:27,105 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:27,105 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,106 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,106 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,107 - INFO - number of orbitals:  69
-2024-12-09 10:29:27,107 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,108 - INFO - moving on ...
-2024-12-09 10:29:27,108 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:27,108 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,108 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,108 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,110 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,110 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,110 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:27,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:27,110 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:27,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,127 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,127 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:27,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,129 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,129 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:27,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:27,129 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:27,146 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,146 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,146 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:27,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,147 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,147 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,149 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,149 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:27,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:27,149 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:27,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,165 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,165 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:27,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,168 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,168 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:27,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:27,168 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:27,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,184 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,185 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:27,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,187 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,187 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,187 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:27,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:27,187 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:27,203 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,203 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,204 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:27,204 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,204 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,204 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,206 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,206 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,206 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:27,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:27,206 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:27,222 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,223 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,223 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:27,223 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,223 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,223 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,225 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,225 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,225 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:27,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:27,225 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:27,242 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,242 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,242 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:27,242 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,242 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,242 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,244 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,245 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,245 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:27,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:27,245 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:27,261 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,262 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,262 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:27,262 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:27,262 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:27,262 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,262 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:27,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,264 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,264 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,264 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:27,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:27,264 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:27,280 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,281 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,281 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:27,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:27,281 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,281 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:27,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,283 - INFO - number of orbitals:  90
-2024-12-09 10:29:27,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,283 - INFO - moving on ...
-2024-12-09 10:29:27,283 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:27,283 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:27,283 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:27,283 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,283 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:27,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,284 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,284 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,284 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:27,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:27,285 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:27,301 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,301 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,301 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:27,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:27,301 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,301 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:27,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,303 - INFO - number of orbitals:  118
-2024-12-09 10:29:27,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,303 - INFO - moving on ...
-2024-12-09 10:29:27,303 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:27,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,304 - INFO - number of orbitals:  68
-2024-12-09 10:29:27,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,305 - INFO - moving on ...
-2024-12-09 10:29:27,305 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:27,305 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:27,305 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:27,305 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,305 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:27,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,306 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,306 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,306 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:27,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:27,306 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:27,324 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,324 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,324 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:27,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:27,324 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,324 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:27,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,326 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,326 - INFO - moving on ...
-2024-12-09 10:29:27,326 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:27,326 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:27,326 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:27,327 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,327 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:27,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,328 - INFO - number of orbitals:  66
-2024-12-09 10:29:27,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,328 - INFO - moving on ...
-2024-12-09 10:29:27,328 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:27,329 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:27,329 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:27,329 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,329 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:27,329 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,329 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,329 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,331 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,331 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:27,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:27,331 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:27,349 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,349 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,349 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:27,349 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,350 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,350 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,352 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,352 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,352 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:27,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:27,352 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:27,369 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,370 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,370 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:27,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,372 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,372 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,372 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:27,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:27,372 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,389 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,389 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,390 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:27,390 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,390 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,390 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,392 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,392 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,392 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:27,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:27,392 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,409 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,409 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:27,409 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,412 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,412 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,412 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:27,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:27,412 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:27,428 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,429 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,429 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:27,429 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,429 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,429 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,431 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,431 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,431 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:27,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:27,431 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:27,448 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,449 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,449 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:27,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,451 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,452 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,452 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:27,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:27,452 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:27,475 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,475 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,475 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:27,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,476 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,476 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,479 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,479 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,479 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:27,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:27,479 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:27,497 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,497 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,497 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:27,497 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,498 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,498 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,500 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,500 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,500 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:27,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:27,500 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:27,522 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,523 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,523 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:27,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,526 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,526 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:27,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:27,527 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:27,546 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,546 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,546 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:27,546 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,546 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,547 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,548 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,548 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,549 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:27,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:27,549 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,565 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,565 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,565 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:27,565 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,567 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,567 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,567 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:27,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:27,567 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:27,584 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,584 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,584 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:27,584 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:27,584 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:27,584 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,584 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:27,585 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,585 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,585 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,587 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,587 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,587 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:27,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:27,587 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:27,603 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,603 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,603 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:27,603 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,605 - INFO - number of orbitals:  108
-2024-12-09 10:29:27,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,605 - INFO - moving on ...
-2024-12-09 10:29:27,605 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:27,606 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:27,606 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:27,606 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,606 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:27,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,607 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,607 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,607 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:27,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:27,607 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:27,624 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,624 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,624 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:27,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:27,624 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,624 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:27,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,626 - INFO - number of orbitals:  135
-2024-12-09 10:29:27,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,626 - INFO - moving on ...
-2024-12-09 10:29:27,626 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:27,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,627 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,627 - INFO - moving on ...
-2024-12-09 10:29:27,627 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:27,627 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:27,627 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:27,627 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,627 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:27,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,629 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,629 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,629 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:27,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:27,629 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:27,645 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,645 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,645 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:27,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:27,645 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,645 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:27,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,647 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,647 - INFO - moving on ...
-2024-12-09 10:29:27,647 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:27,647 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:27,647 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:27,647 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,647 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:27,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,648 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,648 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:27,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:27,648 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:27,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,664 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,664 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:27,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:27,665 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,665 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:27,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,666 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,666 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,666 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,666 - INFO - moving on ...
-2024-12-09 10:29:27,666 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:27,666 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:27,667 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:27,667 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,667 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:27,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,668 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,668 - INFO - moving on ...
-2024-12-09 10:29:27,668 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:27,668 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:27,668 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:27,668 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,668 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:27,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,669 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,670 - INFO - moving on ...
-2024-12-09 10:29:27,670 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:27,670 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:27,670 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:27,670 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,670 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:27,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,671 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,671 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,671 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:27,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:27,671 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:27,687 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,688 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,688 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:27,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:27,688 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,688 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:27,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,689 - INFO - number of orbitals:  118
-2024-12-09 10:29:27,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,689 - INFO - moving on ...
-2024-12-09 10:29:27,689 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:27,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,691 - INFO - number of orbitals:  68
-2024-12-09 10:29:27,691 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,691 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,691 - INFO - moving on ...
-2024-12-09 10:29:27,691 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:27,691 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:27,691 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:27,691 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,691 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:27,691 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,691 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,691 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,693 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,693 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,693 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:27,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:27,693 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,709 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,710 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,710 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:27,710 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,710 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,710 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,712 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,712 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,712 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:27,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:27,712 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:27,728 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,728 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,728 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:27,728 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,728 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,728 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,730 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,730 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,730 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:27,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:27,731 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:27,747 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,747 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,748 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:27,748 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,748 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,748 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,750 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,750 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,750 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:27,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:27,750 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,766 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,766 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,767 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:27,767 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,767 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,767 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,769 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,769 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,769 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:27,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:27,769 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:27,785 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,785 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,785 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:27,785 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,785 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,785 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,788 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,788 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,788 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:27,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:27,788 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:27,805 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,805 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,805 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:27,805 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,805 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,805 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,807 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,807 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,807 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:27,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:27,808 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:27,824 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,824 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,824 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:27,824 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,824 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,824 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,826 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,826 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,826 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:27,826 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:27,827 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:27,843 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,843 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,844 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:27,844 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:27,844 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:27,844 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,844 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:27,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,845 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,845 - INFO - moving on ...
-2024-12-09 10:29:27,846 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:27,846 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:27,846 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:27,846 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,846 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:27,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,847 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,847 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,847 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:27,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:27,847 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:27,864 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,864 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,864 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:27,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:27,864 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,865 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:27,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,866 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,866 - INFO - moving on ...
-2024-12-09 10:29:27,866 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:27,866 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:27,866 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:27,866 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,866 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:27,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,868 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,868 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:27,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:27,868 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:27,885 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,885 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,885 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:27,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:27,885 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,885 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:27,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,887 - INFO - number of orbitals:  119
-2024-12-09 10:29:27,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,887 - INFO - moving on ...
-2024-12-09 10:29:27,887 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:27,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,888 - INFO - number of orbitals:  62
-2024-12-09 10:29:27,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,888 - INFO - moving on ...
-2024-12-09 10:29:27,888 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:27,889 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:27,889 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:27,889 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,889 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:27,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,890 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,890 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:27,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:27,890 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:27,906 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,907 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,907 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:27,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:27,907 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,907 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:27,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,908 - INFO - number of orbitals:  135
-2024-12-09 10:29:27,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,909 - INFO - moving on ...
-2024-12-09 10:29:27,909 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:27,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,910 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,910 - INFO - moving on ...
-2024-12-09 10:29:27,910 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:27,910 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:27,910 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:27,910 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,910 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:27,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,911 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,911 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:27,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:27,912 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:27,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,928 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,928 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:27,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:27,929 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,929 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:27,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,930 - INFO - number of orbitals:  118
-2024-12-09 10:29:27,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,930 - INFO - moving on ...
-2024-12-09 10:29:27,930 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:27,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,931 - INFO - number of orbitals:  68
-2024-12-09 10:29:27,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,932 - INFO - moving on ...
-2024-12-09 10:29:27,932 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:27,932 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:27,932 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:27,932 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,932 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:27,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,933 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,933 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,933 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:27,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:27,933 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:27,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,949 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,949 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:27,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:27,949 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,949 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:27,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,951 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,951 - INFO - moving on ...
-2024-12-09 10:29:27,951 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:27,951 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:27,951 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:27,951 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,951 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:27,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,953 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,953 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:27,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:27,953 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:27,970 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,970 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,970 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:27,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:27,970 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,970 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:27,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,972 - INFO - number of orbitals:  110
-2024-12-09 10:29:27,972 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,972 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,972 - INFO - moving on ...
-2024-12-09 10:29:27,972 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:27,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,973 - INFO - number of orbitals:  60
-2024-12-09 10:29:27,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,973 - INFO - moving on ...
-2024-12-09 10:29:27,973 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:27,974 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:27,974 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:27,974 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,974 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:27,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,975 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,975 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,975 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:27,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:27,975 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:27,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,991 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,991 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:27,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:27,992 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,992 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:27,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,993 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,993 - INFO - moving on ...
-2024-12-09 10:29:27,993 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:27,993 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:27,993 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:27,993 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,993 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:27,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,995 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,995 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,995 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:27,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:27,995 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:28,012 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,012 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,012 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:28,013 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:28,013 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:28,013 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,013 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:28,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,014 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,014 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,014 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:28,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:28,015 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:28,031 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,031 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,031 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:28,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:28,031 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,031 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:28,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,033 - INFO - number of orbitals:  88
-2024-12-09 10:29:28,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,033 - INFO - moving on ...
-2024-12-09 10:29:28,033 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:28,033 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:28,033 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:28,033 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,033 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:28,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,034 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,034 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,034 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:28,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:28,034 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:28,050 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,051 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,051 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:28,051 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:28,051 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:28,051 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,051 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:28,051 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,051 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,051 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,053 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,053 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:28,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:28,053 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,070 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,070 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,070 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:28,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,072 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,073 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:28,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:28,073 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:28,089 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,090 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,090 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:28,090 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,090 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,090 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,092 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,092 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,092 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:28,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:28,092 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,109 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,110 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,110 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:28,110 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,110 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,110 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,112 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,112 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,112 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:28,112 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:28,112 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:28,129 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,129 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,129 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:28,129 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:28,129 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:28,129 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,129 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:28,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,131 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,131 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,131 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:28,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:28,131 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,147 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,148 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,148 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:28,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:28,148 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,148 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:28,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,150 - INFO - number of orbitals:  85
-2024-12-09 10:29:28,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,150 - INFO - moving on ...
-2024-12-09 10:29:28,150 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:28,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,151 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,151 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:28,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:28,151 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:28,167 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,168 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,168 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:28,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:28,168 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,168 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:28,168 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:28,168 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:28,168 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,168 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:28,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,170 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,170 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:28,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:28,170 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:28,186 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,186 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,186 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:28,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:28,186 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,186 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:28,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,188 - INFO - number of orbitals:  110
-2024-12-09 10:29:28,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,188 - INFO - moving on ...
-2024-12-09 10:29:28,188 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:28,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,189 - INFO - number of orbitals:  60
-2024-12-09 10:29:28,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,189 - INFO - moving on ...
-2024-12-09 10:29:28,189 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:28,189 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:28,189 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:28,189 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,189 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:28,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,191 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,191 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:28,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:28,191 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:28,207 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,208 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,208 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:28,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:28,208 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,208 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:28,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,210 - INFO - number of orbitals:  85
-2024-12-09 10:29:28,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,210 - INFO - moving on ...
-2024-12-09 10:29:28,210 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:28,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,212 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,212 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,212 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:28,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:28,212 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:28,229 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,230 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,230 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:28,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:28,230 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,230 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:28,230 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:28,230 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:28,230 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,230 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:28,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,232 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,232 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,232 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:28,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:28,232 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:28,249 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,249 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,249 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:28,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:28,250 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,250 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:28,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,251 - INFO - number of orbitals:  88
-2024-12-09 10:29:28,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,251 - INFO - moving on ...
-2024-12-09 10:29:28,251 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:28,251 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:28,252 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:28,252 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,252 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:28,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,253 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,253 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,253 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:28,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:28,253 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:28,270 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,270 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,270 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:28,271 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:28,271 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:28,271 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,271 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:28,271 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,271 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,273 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,273 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,273 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:28,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:28,273 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:28,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,290 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,290 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:28,290 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,290 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,292 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,292 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:28,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:28,292 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:28,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,309 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,309 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:28,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,309 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,309 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,311 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,311 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:28,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:28,311 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:28,328 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,328 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,328 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:28,328 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,329 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,329 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,330 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,331 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,331 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:28,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:28,331 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:28,347 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,347 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,347 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:28,347 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,348 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,348 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,350 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,350 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,350 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:28,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:28,350 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:28,366 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,367 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,367 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:28,367 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,367 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,367 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,369 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,369 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:28,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:28,369 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:28,386 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,386 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,386 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:28,386 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,388 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,389 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,389 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:28,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:28,389 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:28,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,406 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,406 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:28,406 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,406 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,406 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,408 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,408 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,408 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:28,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:28,409 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:28,425 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,426 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,426 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:28,426 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,426 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,426 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,428 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,428 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:28,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:28,428 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:28,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,445 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,445 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:28,445 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:28,445 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:28,445 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,445 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:28,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,447 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,447 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:28,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:28,447 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:28,463 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,464 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,464 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:28,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:28,464 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,464 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:28,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,465 - INFO - number of orbitals:  88
-2024-12-09 10:29:28,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,465 - INFO - moving on ...
-2024-12-09 10:29:28,465 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:28,466 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:28,466 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:28,466 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,466 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:28,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,467 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,467 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,467 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:28,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:28,467 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:28,483 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,484 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,484 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:28,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:28,484 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,484 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:28,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,485 - INFO - number of orbitals:  72
-2024-12-09 10:29:28,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,485 - INFO - moving on ...
-2024-12-09 10:29:28,486 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:28,486 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:28,486 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:28,486 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,486 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:28,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,487 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,487 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,487 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:28,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:28,487 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:28,504 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,505 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,505 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:28,505 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:28,505 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:28,505 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,505 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:28,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,507 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,507 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:28,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:28,507 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:28,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,524 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,524 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:28,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:28,524 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,524 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:28,524 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:28,524 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:28,524 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,524 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:28,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,526 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,526 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:28,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:28,526 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:28,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,542 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,543 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:28,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:28,543 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,543 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:28,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,544 - INFO - number of orbitals:  116
-2024-12-09 10:29:28,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,544 - INFO - moving on ...
-2024-12-09 10:29:28,545 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:28,545 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:28,545 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:28,545 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,545 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:28,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,547 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,547 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:28,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:28,547 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,568 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,568 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:28,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:28,568 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,568 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:28,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,570 - INFO - number of orbitals:  79
-2024-12-09 10:29:28,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,570 - INFO - moving on ...
-2024-12-09 10:29:28,570 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:28,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,572 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,572 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:28,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:28,572 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:28,593 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,594 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,594 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:28,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:28,594 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,594 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:28,594 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:28,594 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:28,594 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,594 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:28,595 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,595 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,595 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,597 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,597 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,597 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:28,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:28,597 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:28,619 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,619 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,619 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:28,619 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,620 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,620 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,622 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,622 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,622 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:28,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:28,622 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:28,644 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,644 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,644 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:28,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,647 - INFO - number of orbitals:  68
-2024-12-09 10:29:28,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,648 - INFO - moving on ...
-2024-12-09 10:29:28,648 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:28,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,650 - INFO - number of orbitals:  76
-2024-12-09 10:29:28,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,650 - INFO - moving on ...
-2024-12-09 10:29:28,650 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:28,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,651 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,651 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,653 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,653 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,653 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:28,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:28,653 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:28,674 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,675 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,675 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:28,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,675 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,675 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,678 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,678 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,678 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:28,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:28,678 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:28,696 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,697 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,697 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:28,697 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,697 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,697 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,698 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,699 - INFO - number of orbitals:  68
-2024-12-09 10:29:28,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,699 - INFO - moving on ...
-2024-12-09 10:29:28,699 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:28,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,699 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,699 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,701 - INFO - number of orbitals:  76
-2024-12-09 10:29:28,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,701 - INFO - moving on ...
-2024-12-09 10:29:28,701 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:28,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,704 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,704 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,704 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:28,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:28,704 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:28,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,726 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,726 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:28,726 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,726 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,729 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,729 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:28,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:28,729 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,750 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,751 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,751 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:28,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,754 - INFO - number of orbitals:  68
-2024-12-09 10:29:28,754 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,754 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,754 - INFO - moving on ...
-2024-12-09 10:29:28,754 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:28,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,756 - INFO - number of orbitals:  76
-2024-12-09 10:29:28,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,757 - INFO - moving on ...
-2024-12-09 10:29:28,757 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:28,757 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:28,757 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:28,757 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,757 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:28,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,759 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,759 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,759 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:28,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:28,759 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:28,780 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,781 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,781 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:28,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:28,781 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,781 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:28,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,783 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,783 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,783 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:28,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:28,783 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:28,805 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,805 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,806 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:28,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:28,806 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,806 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:28,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,808 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,808 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,808 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:28,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:28,808 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:28,825 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,825 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,825 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:28,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:28,825 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,825 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:28,825 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:28,826 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:28,826 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,826 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:28,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,827 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,827 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,827 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:28,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:28,827 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:28,844 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,844 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,844 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:28,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:28,844 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,844 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:28,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,846 - INFO - number of orbitals:  110
-2024-12-09 10:29:28,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,846 - INFO - moving on ...
-2024-12-09 10:29:28,846 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:28,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,847 - INFO - number of orbitals:  60
-2024-12-09 10:29:28,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,847 - INFO - moving on ...
-2024-12-09 10:29:28,847 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:28,847 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:28,848 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:28,848 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,848 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:28,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,849 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,849 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,849 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:28,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:28,849 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:28,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,866 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,866 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:28,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:28,866 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,866 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:28,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,868 - INFO - number of orbitals:  110
-2024-12-09 10:29:28,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,868 - INFO - moving on ...
-2024-12-09 10:29:28,868 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:28,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,869 - INFO - number of orbitals:  60
-2024-12-09 10:29:28,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,869 - INFO - moving on ...
-2024-12-09 10:29:28,869 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:28,870 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:28,870 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:28,870 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,870 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:28,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,872 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,872 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:28,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:28,872 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:28,888 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,889 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,889 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:28,889 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,891 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,891 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,891 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:28,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:28,891 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:28,908 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,909 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,909 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:28,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,909 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,909 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,911 - INFO - number of orbitals:  58
-2024-12-09 10:29:28,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,911 - INFO - moving on ...
-2024-12-09 10:29:28,911 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:28,911 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,911 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,911 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,913 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,913 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:28,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:28,913 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:28,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,929 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,929 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:28,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,929 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,931 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,931 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,931 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:28,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:28,932 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:28,948 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,948 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,948 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:28,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,949 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,949 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,951 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,951 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,951 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:28,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:28,951 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:28,967 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,967 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,967 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:28,967 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,967 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,969 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,970 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,970 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:28,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:28,970 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,986 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,986 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,986 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:28,986 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,986 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,986 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,988 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,988 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,989 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:28,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:28,989 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:29,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,005 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,005 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:29,005 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,006 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,006 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,007 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,007 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,008 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:29,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:29,008 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:29,023 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,024 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,024 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:29,024 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:29,024 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:29,024 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,024 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:29,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,026 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,026 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,026 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:29,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:29,026 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:29,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,043 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,044 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:29,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:29,044 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,044 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:29,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,045 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,045 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,046 - INFO - moving on ...
-2024-12-09 10:29:29,046 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:29,046 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:29,046 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:29,046 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,046 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:29,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,047 - INFO - number of orbitals:  76
-2024-12-09 10:29:29,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,047 - INFO - moving on ...
-2024-12-09 10:29:29,047 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:29,047 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:29,047 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:29,048 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,048 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:29,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,049 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,049 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,049 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:29,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:29,049 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:29,067 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,067 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,067 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:29,068 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:29,068 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:29,068 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,068 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:29,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,070 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,070 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,070 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:29,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:29,070 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:29,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,089 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,089 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:29,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:29,089 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,089 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:29,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,090 - INFO - number of orbitals:  74
-2024-12-09 10:29:29,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,090 - INFO - moving on ...
-2024-12-09 10:29:29,091 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:29,091 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:29,091 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:29,091 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,091 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:29,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,092 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,092 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,092 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:29,093 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:29,093 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:29,110 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,110 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,110 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:29,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:29,110 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,110 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:29,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,112 - INFO - number of orbitals:  90
-2024-12-09 10:29:29,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,112 - INFO - moving on ...
-2024-12-09 10:29:29,112 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:29,112 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:29,112 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:29,112 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,112 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:29,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,113 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,113 - INFO - moving on ...
-2024-12-09 10:29:29,113 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:29,114 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:29,114 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:29,114 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,114 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:29,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,115 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,115 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,115 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:29,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:29,115 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:29,131 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,131 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,131 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:29,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:29,131 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,131 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:29,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,133 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,133 - INFO - moving on ...
-2024-12-09 10:29:29,133 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:29,133 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:29,133 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:29,133 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,133 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:29,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,135 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,135 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,135 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:29,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:29,135 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:29,151 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,152 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,152 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:29,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:29,152 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,152 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:29,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,153 - INFO - number of orbitals:  106
-2024-12-09 10:29:29,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,154 - INFO - moving on ...
-2024-12-09 10:29:29,154 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:29,154 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:29,154 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:29,154 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,154 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:29,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,155 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,156 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,156 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:29,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:29,156 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:29,172 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,172 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,172 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:29,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:29,172 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,172 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:29,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,174 - INFO - number of orbitals:  118
-2024-12-09 10:29:29,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,174 - INFO - moving on ...
-2024-12-09 10:29:29,174 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:29,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,175 - INFO - number of orbitals:  68
-2024-12-09 10:29:29,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,175 - INFO - moving on ...
-2024-12-09 10:29:29,175 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:29,176 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:29,176 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:29,176 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,176 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:29,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,177 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,177 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,177 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:29,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:29,177 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:29,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,193 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,193 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:29,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:29,193 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,193 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:29,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,195 - INFO - number of orbitals:  114
-2024-12-09 10:29:29,195 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,195 - INFO - moving on ...
-2024-12-09 10:29:29,195 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:29,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,196 - INFO - number of orbitals:  64
-2024-12-09 10:29:29,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,196 - INFO - moving on ...
-2024-12-09 10:29:29,196 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:29,197 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:29,197 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:29,197 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,197 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:29,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,198 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,198 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,198 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:29,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:29,198 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:29,213 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,214 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,214 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:29,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:29,214 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,214 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:29,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,216 - INFO - number of orbitals:  115
-2024-12-09 10:29:29,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,216 - INFO - moving on ...
-2024-12-09 10:29:29,216 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:29,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,217 - INFO - number of orbitals:  58
-2024-12-09 10:29:29,217 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,217 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,217 - INFO - moving on ...
-2024-12-09 10:29:29,217 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:29,217 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:29,217 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:29,217 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,217 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:29,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,219 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,219 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,219 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:29,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:29,219 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:29,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,236 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,236 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:29,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:29,236 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,236 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:29,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,237 - INFO - number of orbitals:  78
-2024-12-09 10:29:29,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,238 - INFO - moving on ...
-2024-12-09 10:29:29,238 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:29,238 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:29,238 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:29,238 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,238 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:29,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,239 - INFO - number of orbitals:  58
-2024-12-09 10:29:29,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,239 - INFO - moving on ...
-2024-12-09 10:29:29,239 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:29,239 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:29,239 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:29,239 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,240 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:29,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,241 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,241 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,241 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:29,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:29,241 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:29,258 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,258 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,258 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:29,258 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:29,258 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:29,258 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,258 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:29,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,260 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,260 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,260 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:29,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:29,260 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:29,277 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,277 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,277 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:29,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:29,278 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,278 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:29,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,279 - INFO - number of orbitals:  86
-2024-12-09 10:29:29,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,279 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,279 - INFO - moving on ...
-2024-12-09 10:29:29,279 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:29,279 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:29,279 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:29,279 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,280 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:29,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,281 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,281 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,281 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:29,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:29,281 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:29,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,299 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,299 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:29,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:29,299 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,299 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:29,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,301 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,301 - INFO - moving on ...
-2024-12-09 10:29:29,301 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:29,301 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:29,301 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:29,301 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,301 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:29,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,303 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,303 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,303 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:29,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:29,303 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:29,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,320 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,320 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:29,320 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:29,320 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:29,320 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,320 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:29,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,322 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,322 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,322 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:29,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:29,322 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:29,338 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,339 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,339 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:29,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:29,339 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,339 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:29,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,340 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,340 - INFO - moving on ...
-2024-12-09 10:29:29,340 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:29,341 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:29,341 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:29,341 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,341 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:29,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,342 - INFO - number of orbitals:  76
-2024-12-09 10:29:29,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,342 - INFO - moving on ...
-2024-12-09 10:29:29,342 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:29,342 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:29,342 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:29,342 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,342 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:29,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,344 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,344 - INFO - moving on ...
-2024-12-09 10:29:29,344 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:29,344 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:29,344 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:29,344 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,345 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:29,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,346 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,346 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,346 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:29,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:29,346 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:29,363 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,364 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,364 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:29,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:29,364 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,364 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:29,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,366 - INFO - number of orbitals:  116
-2024-12-09 10:29:29,366 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,366 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,366 - INFO - moving on ...
-2024-12-09 10:29:29,366 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:29,366 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:29,366 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:29,366 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,366 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:29,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,368 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,368 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,368 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:29,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:29,368 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:29,385 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,385 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,385 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:29,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:29,386 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,386 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:29,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,387 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,387 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,387 - INFO - moving on ...
-2024-12-09 10:29:29,387 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:29,388 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:29,388 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:29,388 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,388 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:29,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,389 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,389 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,389 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:29,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:29,389 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:29,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,406 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,406 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:29,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:29,406 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,406 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:29,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,408 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,408 - INFO - moving on ...
-2024-12-09 10:29:29,408 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:29,408 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:29,408 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:29,408 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,408 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:29,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,410 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,410 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,410 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:29,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:29,410 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:29,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,431 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,431 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:29,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:29,431 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,431 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:29,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,433 - INFO - number of orbitals:  110
-2024-12-09 10:29:29,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,433 - INFO - moving on ...
-2024-12-09 10:29:29,433 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:29,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,435 - INFO - number of orbitals:  60
-2024-12-09 10:29:29,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,436 - INFO - moving on ...
-2024-12-09 10:29:29,436 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:29,436 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:29,436 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:29,436 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,436 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:29,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,437 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,437 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,437 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:29,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:29,437 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:29,454 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,454 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,454 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:29,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:29,454 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,454 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:29,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,456 - INFO - number of orbitals:  135
-2024-12-09 10:29:29,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,456 - INFO - moving on ...
-2024-12-09 10:29:29,456 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:29,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,457 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,457 - INFO - moving on ...
-2024-12-09 10:29:29,458 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:29,458 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:29,458 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:29,458 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,458 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:29,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,459 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,459 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,459 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:29,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:29,459 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:29,476 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,476 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,477 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:29,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:29,477 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,477 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:29,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,478 - INFO - number of orbitals:  119
-2024-12-09 10:29:29,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,478 - INFO - moving on ...
-2024-12-09 10:29:29,478 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:29,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,480 - INFO - number of orbitals:  62
-2024-12-09 10:29:29,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,480 - INFO - moving on ...
-2024-12-09 10:29:29,480 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:29,480 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:29,480 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:29,480 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,480 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:29,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,481 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,481 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,482 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:29,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:29,482 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:29,499 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,499 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,499 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:29,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:29,499 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,499 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:29,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,501 - INFO - number of orbitals:  64
-2024-12-09 10:29:29,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,501 - INFO - moving on ...
-2024-12-09 10:29:29,501 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:29,501 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:29,501 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:29,501 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,501 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:29,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,503 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,503 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:29,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:29,503 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:29,519 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,519 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,519 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:29,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:29,519 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,520 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:29,520 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:29,520 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:29,520 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,520 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:29,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,521 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,521 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,521 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:29,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:29,521 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:29,538 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,538 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,538 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:29,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:29,538 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,538 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:29,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,540 - INFO - number of orbitals:  89
-2024-12-09 10:29:29,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,540 - INFO - moving on ...
-2024-12-09 10:29:29,540 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:29,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,541 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,541 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,541 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:29,541 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:29,541 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:29,557 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,557 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,558 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:29,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:29,558 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,558 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:29,558 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:29,558 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:29,558 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,558 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:29,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,560 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,560 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,560 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:29,560 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:29,560 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:29,576 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,577 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,577 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:29,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:29,577 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,577 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:29,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,578 - INFO - number of orbitals:  94
-2024-12-09 10:29:29,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,579 - INFO - moving on ...
-2024-12-09 10:29:29,579 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:29,579 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:29,579 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:29,579 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,579 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:29,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,580 - INFO - number of orbitals:  70
-2024-12-09 10:29:29,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,580 - INFO - moving on ...
-2024-12-09 10:29:29,580 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:29,581 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:29,581 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:29,581 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,581 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:29,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,582 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,582 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:29,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:29,582 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:29,598 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,599 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,599 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:29,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:29,599 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,599 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:29,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,601 - INFO - number of orbitals:  79
-2024-12-09 10:29:29,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,601 - INFO - moving on ...
-2024-12-09 10:29:29,601 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:29,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,602 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,603 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,603 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:29,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:29,603 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:29,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,621 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,621 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:29,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:29,621 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,621 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:29,621 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:29,622 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:29,622 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,622 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:29,622 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,624 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,624 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,624 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:29,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:29,624 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:29,641 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,641 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,641 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:29,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,642 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,642 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,643 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,643 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,644 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:29,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:29,644 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:29,660 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,660 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,660 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:29,660 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,662 - INFO - number of orbitals:  90
-2024-12-09 10:29:29,663 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,663 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,663 - INFO - moving on ...
-2024-12-09 10:29:29,663 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:29,663 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,663 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,663 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,665 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,665 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,665 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:29,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:29,665 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:29,683 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,683 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,684 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:29,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,686 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,686 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,686 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:29,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:29,686 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:29,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,702 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,703 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:29,703 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,703 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,703 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,705 - INFO - number of orbitals:  90
-2024-12-09 10:29:29,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,705 - INFO - moving on ...
-2024-12-09 10:29:29,705 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:29,705 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:29,705 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:29,705 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,705 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:29,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,706 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,706 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,706 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:29,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:29,706 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:29,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,722 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,722 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:29,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:29,722 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,723 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:29,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,724 - INFO - number of orbitals:  115
-2024-12-09 10:29:29,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,724 - INFO - moving on ...
-2024-12-09 10:29:29,724 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:29,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,725 - INFO - number of orbitals:  58
-2024-12-09 10:29:29,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,725 - INFO - moving on ...
-2024-12-09 10:29:29,725 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:29,726 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:29,726 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:29,726 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,726 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:29,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,727 - INFO - number of orbitals:  76
-2024-12-09 10:29:29,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,727 - INFO - moving on ...
-2024-12-09 10:29:29,727 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:29,727 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:29,727 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:29,727 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,727 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:29,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,728 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,728 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,729 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:29,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:29,729 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:29,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,744 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,744 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:29,744 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:29,745 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:29,745 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,745 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:29,745 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,745 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,745 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,747 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,747 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,747 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:29,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:29,747 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:29,762 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,763 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,763 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:29,763 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,765 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,765 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,765 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:29,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:29,765 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:29,781 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,781 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,781 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:29,781 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,782 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,782 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,784 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,784 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,784 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:29,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:29,784 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:29,802 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,802 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,802 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:29,802 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,802 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,802 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,804 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,804 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,804 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:29,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:29,804 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:29,820 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,821 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,821 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:29,821 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,823 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,823 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,823 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:29,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:29,823 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:29,839 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,839 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,839 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:29,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,839 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,839 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,841 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,841 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:29,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:29,841 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:29,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,857 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,857 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:29,857 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:29,858 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:29,858 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,858 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:29,858 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,858 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,858 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,860 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,860 - INFO - moving on ...
-2024-12-09 10:29:29,860 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:29,860 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,862 - INFO - number of orbitals:  70
-2024-12-09 10:29:29,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,862 - INFO - moving on ...
-2024-12-09 10:29:29,862 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:29,862 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,862 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,862 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,864 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,864 - INFO - moving on ...
-2024-12-09 10:29:29,864 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:29,864 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:29,864 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:29,864 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,864 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:29,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,865 - INFO - number of orbitals:  76
-2024-12-09 10:29:29,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,865 - INFO - moving on ...
-2024-12-09 10:29:29,865 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:29,866 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:29,866 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:29,866 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,866 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:29,866 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,866 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,866 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,868 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,868 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:29,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:29,868 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:29,884 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,884 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,884 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:29,884 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,884 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,884 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,886 - INFO - number of orbitals:  70
-2024-12-09 10:29:29,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,887 - INFO - moving on ...
-2024-12-09 10:29:29,887 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:29,887 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,887 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,887 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,889 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,889 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,889 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:29,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:29,889 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:29,905 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,905 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,905 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:29,905 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,905 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,905 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,907 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,907 - INFO - moving on ...
-2024-12-09 10:29:29,907 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:29,907 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,908 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,908 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,909 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,909 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,909 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:29,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:29,909 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:29,925 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,925 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,925 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:29,925 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,925 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,927 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,927 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:29,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:29,927 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:29,943 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,943 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,943 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:29,943 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,944 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,945 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,946 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:29,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:29,946 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:29,961 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,961 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,961 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:29,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,963 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,964 - INFO - moving on ...
-2024-12-09 10:29:29,964 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:29,964 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,964 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,964 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,966 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,966 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:29,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:29,966 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:29,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,982 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,982 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:29,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,984 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,984 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:29,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:29,984 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:30,002 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,003 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,003 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:30,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,003 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,005 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,005 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,005 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:30,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:30,005 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:30,021 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,021 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,021 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:30,021 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,021 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,021 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,023 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,023 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,023 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:30,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:30,023 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:30,039 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,040 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,040 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:30,040 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,040 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,040 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,042 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,042 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,042 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:30,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:30,042 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:30,058 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,058 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,058 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:30,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,060 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,060 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:30,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:30,061 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:30,076 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,077 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,077 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:30,077 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,077 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,077 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,079 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,079 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:30,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:30,079 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:30,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,096 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,096 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:30,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,098 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:30,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:30,098 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:30,113 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,114 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,114 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:30,114 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:30,114 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:30,114 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,114 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:30,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,115 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,116 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,116 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:30,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:30,116 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:30,131 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,131 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,131 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:30,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:30,131 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,131 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:30,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,133 - INFO - number of orbitals:  90
-2024-12-09 10:29:30,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:30,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,133 - INFO - moving on ...
-2024-12-09 10:29:30,133 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:30,133 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:30,133 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:30,133 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,133 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:30,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,135 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,135 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,135 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:30,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:30,135 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:30,150 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,151 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,151 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:30,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:30,151 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,151 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:30,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,152 - INFO - number of orbitals:  118
-2024-12-09 10:29:30,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,153 - INFO - moving on ...
-2024-12-09 10:29:30,153 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:30,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,154 - INFO - number of orbitals:  68
-2024-12-09 10:29:30,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,154 - INFO - moving on ...
-2024-12-09 10:29:30,154 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:30,154 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:30,154 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:30,154 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,154 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:30,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,155 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,156 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,156 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:30,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:30,156 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:30,172 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,172 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,172 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:30,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:30,172 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,172 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:30,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,174 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,174 - INFO - moving on ...
-2024-12-09 10:29:30,174 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:30,174 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:30,174 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:30,174 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,174 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:30,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,175 - INFO - number of orbitals:  66
-2024-12-09 10:29:30,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,175 - INFO - moving on ...
-2024-12-09 10:29:30,175 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:30,176 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:30,176 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:30,176 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,176 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:30,176 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,176 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,176 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,178 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,178 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,178 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:30,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:30,178 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:30,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,196 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,196 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:30,196 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,196 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,196 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,198 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,198 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,198 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:30,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:30,198 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:30,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,214 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,214 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:30,214 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,216 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,216 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:30,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:30,216 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,233 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,233 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,233 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:30,233 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,233 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,233 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,235 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,236 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,236 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:30,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:30,236 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,253 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,253 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:30,253 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,253 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,253 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,256 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,256 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:30,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:30,256 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:30,272 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,273 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,273 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:30,273 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,273 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,273 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,275 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,275 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,275 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:30,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:30,275 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:30,292 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,293 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,293 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:30,293 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,293 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,293 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,295 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,295 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,295 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:30,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:30,295 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:30,312 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,312 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,312 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:30,312 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,313 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,313 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,315 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,315 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,315 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:30,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:30,315 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:30,332 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,333 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,333 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:30,333 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,333 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,333 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,335 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,335 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,336 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:30,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:30,336 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:30,355 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,356 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,356 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:30,356 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,356 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,356 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,359 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,359 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,359 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:30,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:30,359 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:30,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,382 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,382 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:30,382 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,382 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,382 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,384 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,384 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,384 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:30,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:30,385 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,401 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,402 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,402 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:30,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,404 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,404 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,404 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:30,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:30,404 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:30,422 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,423 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,423 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:30,423 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:30,423 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:30,423 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,423 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:30,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,426 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,426 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,426 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:30,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:30,426 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:30,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,444 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,445 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:30,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,447 - INFO - number of orbitals:  108
-2024-12-09 10:29:30,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,448 - INFO - moving on ...
-2024-12-09 10:29:30,448 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:30,448 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:30,448 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:30,448 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,448 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:30,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,450 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,450 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,450 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:30,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:30,450 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:30,467 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,467 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,468 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:30,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:30,468 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,468 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:30,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,469 - INFO - number of orbitals:  135
-2024-12-09 10:29:30,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,469 - INFO - moving on ...
-2024-12-09 10:29:30,469 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:30,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,471 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,471 - INFO - moving on ...
-2024-12-09 10:29:30,471 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:30,471 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:30,471 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:30,471 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,471 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:30,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,473 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,473 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,473 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:30,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:30,473 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:30,497 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,497 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,498 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:30,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:30,498 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,498 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:30,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,500 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,500 - INFO - moving on ...
-2024-12-09 10:29:30,500 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:30,500 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:30,500 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:30,501 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,501 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:30,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,503 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,503 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,503 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:30,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:30,503 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:30,524 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,525 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,525 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:30,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:30,525 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,525 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:30,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,527 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,527 - INFO - moving on ...
-2024-12-09 10:29:30,527 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:30,527 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:30,527 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:30,527 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,527 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:30,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,528 - INFO - number of orbitals:  76
-2024-12-09 10:29:30,528 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,528 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,528 - INFO - moving on ...
-2024-12-09 10:29:30,529 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:30,529 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:30,529 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:30,529 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,529 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:30,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,530 - INFO - number of orbitals:  76
-2024-12-09 10:29:30,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,530 - INFO - moving on ...
-2024-12-09 10:29:30,530 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:30,530 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:30,530 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:30,530 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,530 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:30,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,532 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,532 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,532 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:30,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:30,532 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:30,549 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,549 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,550 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:30,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:30,550 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,550 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:30,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,551 - INFO - number of orbitals:  118
-2024-12-09 10:29:30,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,552 - INFO - moving on ...
-2024-12-09 10:29:30,552 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:30,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,553 - INFO - number of orbitals:  68
-2024-12-09 10:29:30,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,553 - INFO - moving on ...
-2024-12-09 10:29:30,553 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:30,553 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:30,553 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:30,553 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,553 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:30,554 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,554 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,554 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,556 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,556 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,556 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:30,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:30,556 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,573 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,573 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,573 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:30,573 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,574 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,574 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,576 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,576 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,576 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:30,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:30,576 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:30,592 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,593 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,593 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:30,593 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,593 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,593 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,595 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,595 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,595 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:30,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:30,595 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:30,612 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,612 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,612 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:30,612 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,612 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,612 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,614 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,614 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,614 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:30,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:30,614 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,630 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,631 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,631 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:30,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,631 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,631 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,633 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,633 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,633 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:30,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:30,633 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:30,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,649 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,649 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:30,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,650 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,650 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,651 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,652 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,652 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:30,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:30,652 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:30,668 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,668 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,668 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:30,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,669 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,669 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,671 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,671 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,671 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:30,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:30,671 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:30,687 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,687 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,688 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:30,688 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,688 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,688 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,690 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,690 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,690 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:30,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:30,690 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:30,706 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,706 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,706 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:30,707 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:30,707 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:30,707 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,707 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:30,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,708 - INFO - number of orbitals:  76
-2024-12-09 10:29:30,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,708 - INFO - moving on ...
-2024-12-09 10:29:30,708 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:30,708 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:30,708 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:30,708 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,708 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:30,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,710 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,710 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,710 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:30,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:30,710 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:30,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,726 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,726 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:30,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:30,726 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,726 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:30,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,727 - INFO - number of orbitals:  76
-2024-12-09 10:29:30,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,728 - INFO - moving on ...
-2024-12-09 10:29:30,728 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:30,728 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:30,728 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:30,728 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,728 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:30,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,729 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,729 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:30,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:30,729 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:30,746 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,747 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,747 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:30,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:30,747 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,747 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:30,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,749 - INFO - number of orbitals:  119
-2024-12-09 10:29:30,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,749 - INFO - moving on ...
-2024-12-09 10:29:30,749 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:30,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,750 - INFO - number of orbitals:  62
-2024-12-09 10:29:30,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,750 - INFO - moving on ...
-2024-12-09 10:29:30,750 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:30,751 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:30,751 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:30,751 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,751 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:30,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,752 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,752 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,752 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:30,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:30,752 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:30,769 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,769 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,769 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:30,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:30,769 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,769 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:30,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,771 - INFO - number of orbitals:  135
-2024-12-09 10:29:30,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,771 - INFO - moving on ...
-2024-12-09 10:29:30,771 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:30,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,772 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,772 - INFO - moving on ...
-2024-12-09 10:29:30,772 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:30,772 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:30,772 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:30,773 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,773 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:30,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,774 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,774 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,774 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:30,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:30,774 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:30,791 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,791 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,791 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:30,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:30,791 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,791 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:30,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,793 - INFO - number of orbitals:  118
-2024-12-09 10:29:30,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,793 - INFO - moving on ...
-2024-12-09 10:29:30,793 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:30,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,794 - INFO - number of orbitals:  68
-2024-12-09 10:29:30,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,794 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,794 - INFO - moving on ...
-2024-12-09 10:29:30,794 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:30,795 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:30,795 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:30,795 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,795 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:30,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,796 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,796 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,796 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:30,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:30,796 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:30,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,813 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,813 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:30,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:30,813 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,813 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:30,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,815 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,815 - INFO - moving on ...
-2024-12-09 10:29:30,815 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:30,815 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:30,815 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:30,815 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,815 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:30,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,817 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,817 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:30,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:30,817 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:30,834 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,834 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,834 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:30,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:30,834 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,834 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:30,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,836 - INFO - number of orbitals:  110
-2024-12-09 10:29:30,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,836 - INFO - moving on ...
-2024-12-09 10:29:30,836 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:30,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,837 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,837 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,837 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:30,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:30,837 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:30,854 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,854 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,854 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:30,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:30,854 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,854 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:30,854 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:30,854 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:30,854 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,854 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:30,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,856 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,856 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,856 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:30,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:30,856 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:30,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,873 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,873 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:30,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:30,873 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,873 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:30,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,874 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,875 - INFO - moving on ...
-2024-12-09 10:29:30,875 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:30,875 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:30,875 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:30,875 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,875 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:30,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,876 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,876 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,876 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:30,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:30,876 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:30,892 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,893 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,893 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:30,893 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:30,893 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:30,893 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,893 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:30,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,895 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,895 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,895 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:30,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:30,895 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:30,911 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,911 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,911 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:30,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:30,912 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,912 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:30,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,913 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,913 - INFO - moving on ...
-2024-12-09 10:29:30,913 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:30,913 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:30,913 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:30,913 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,913 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:30,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,915 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,915 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,915 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:30,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:30,915 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:30,931 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,931 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,931 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:30,932 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:30,932 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:30,932 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,932 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:30,932 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,932 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,932 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,934 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,934 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,934 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:30,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:30,934 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:30,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,951 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,951 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:30,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,953 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,953 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,953 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:30,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:30,954 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:30,970 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,970 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,970 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:30,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,971 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,972 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,973 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:30,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:30,973 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:30,989 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,989 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,989 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:30,989 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,989 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,989 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,991 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,991 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,991 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:30,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:30,991 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:31,007 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,008 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,008 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:31,008 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:31,008 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:31,008 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,008 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:31,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,010 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,010 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,010 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:31,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:31,010 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,026 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,026 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,026 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:31,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:31,027 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,027 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:31,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,028 - INFO - number of orbitals:  85
-2024-12-09 10:29:31,028 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,028 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,028 - INFO - moving on ...
-2024-12-09 10:29:31,028 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:31,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,030 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,030 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,030 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:31,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:31,030 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:31,046 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,046 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,046 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:31,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:31,046 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,046 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:31,047 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:31,047 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:31,047 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,047 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:31,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,048 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,048 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,048 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:31,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:31,048 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:31,064 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,065 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,065 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:31,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:31,065 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,065 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:31,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,066 - INFO - number of orbitals:  110
-2024-12-09 10:29:31,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,066 - INFO - moving on ...
-2024-12-09 10:29:31,067 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:31,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,068 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,068 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:31,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:31,068 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,084 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,084 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:31,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:31,085 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,085 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:31,085 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:31,085 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:31,085 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,085 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:31,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,086 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,087 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:31,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:31,087 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:31,103 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,103 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,103 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:31,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:31,103 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,103 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:31,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,105 - INFO - number of orbitals:  85
-2024-12-09 10:29:31,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,105 - INFO - moving on ...
-2024-12-09 10:29:31,105 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:31,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,106 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,106 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,106 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:31,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:31,106 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:31,123 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,123 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,123 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:31,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:31,123 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,123 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:31,124 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:31,124 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:31,124 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,124 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:31,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,125 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,125 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,125 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:31,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:31,125 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:31,141 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,142 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,142 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:31,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:31,142 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,142 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:31,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,143 - INFO - number of orbitals:  88
-2024-12-09 10:29:31,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,144 - INFO - moving on ...
-2024-12-09 10:29:31,144 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:31,144 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:31,144 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:31,144 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,144 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:31,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,145 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,145 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:31,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:31,145 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:31,161 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,162 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,162 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:31,162 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:31,162 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:31,162 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,162 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:31,162 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,162 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,163 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,165 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,165 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:31,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:31,165 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:31,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,182 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,182 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:31,183 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,183 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,183 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,185 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,185 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,185 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:31,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:31,185 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,202 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,202 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,202 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:31,202 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,204 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,205 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:31,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:31,205 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:31,220 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,221 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,221 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:31,221 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,221 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,221 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,223 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,223 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:31,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:31,223 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,239 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,240 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,240 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:31,240 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,240 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,240 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,242 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,242 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:31,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:31,242 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:31,259 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,259 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,259 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:31,259 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,259 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,260 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,262 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,262 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,262 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:31,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:31,262 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:31,279 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,279 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,279 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:31,279 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,279 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,279 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,281 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,281 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,282 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:31,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:31,282 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:31,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,299 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,299 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:31,299 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,299 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,299 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,301 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,301 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,301 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:31,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:31,301 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:31,317 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,318 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,318 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:31,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,318 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,318 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,320 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,320 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,320 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:31,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:31,320 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:31,337 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,337 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,337 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:31,337 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:31,338 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:31,338 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,338 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:31,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,339 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,339 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,339 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:31,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:31,339 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:31,356 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,356 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,356 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:31,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:31,356 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,357 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:31,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,358 - INFO - number of orbitals:  88
-2024-12-09 10:29:31,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,358 - INFO - moving on ...
-2024-12-09 10:29:31,358 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:31,358 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:31,358 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:31,358 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,358 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:31,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,360 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,360 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,360 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:31,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:31,360 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:31,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,377 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,377 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:31,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:31,377 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,378 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:31,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,379 - INFO - number of orbitals:  72
-2024-12-09 10:29:31,379 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,379 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,379 - INFO - moving on ...
-2024-12-09 10:29:31,379 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:31,379 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:31,379 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:31,379 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,380 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:31,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,381 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,381 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,381 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:31,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:31,381 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:31,398 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,398 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,398 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:31,398 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:31,398 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:31,398 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,399 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:31,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,400 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,400 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,400 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:31,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:31,400 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:31,417 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,417 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,418 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:31,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:31,418 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,418 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:31,418 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:31,418 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:31,418 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,418 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:31,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,420 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,420 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,420 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:31,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:31,420 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:31,436 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,437 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,437 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:31,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:31,437 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,437 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:31,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,439 - INFO - number of orbitals:  116
-2024-12-09 10:29:31,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,439 - INFO - moving on ...
-2024-12-09 10:29:31,439 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:31,439 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:31,439 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:31,439 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,439 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:31,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,440 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,440 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,440 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:31,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:31,440 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,459 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,460 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,460 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:31,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:31,460 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,460 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:31,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,462 - INFO - number of orbitals:  79
-2024-12-09 10:29:31,462 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,462 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,462 - INFO - moving on ...
-2024-12-09 10:29:31,462 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:31,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,464 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,464 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,464 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:31,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:31,464 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:31,480 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,481 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,481 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:31,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:31,481 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,481 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:31,481 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:31,481 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:31,481 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,482 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:31,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,484 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,484 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,484 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:31,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:31,484 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:31,500 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,500 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,500 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:31,500 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,500 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,500 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,502 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,502 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:31,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:31,502 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:31,519 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,519 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,519 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:31,519 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,520 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,520 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,521 - INFO - number of orbitals:  68
-2024-12-09 10:29:31,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,522 - INFO - moving on ...
-2024-12-09 10:29:31,522 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:31,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,524 - INFO - number of orbitals:  76
-2024-12-09 10:29:31,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,524 - INFO - moving on ...
-2024-12-09 10:29:31,524 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:31,524 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,524 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,524 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,526 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,526 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:31,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:31,526 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:31,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,543 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,543 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:31,543 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,543 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,543 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,545 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,545 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,545 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:31,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:31,545 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:31,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,562 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,562 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:31,562 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,564 - INFO - number of orbitals:  68
-2024-12-09 10:29:31,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,564 - INFO - moving on ...
-2024-12-09 10:29:31,564 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:31,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,564 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,566 - INFO - number of orbitals:  76
-2024-12-09 10:29:31,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,566 - INFO - moving on ...
-2024-12-09 10:29:31,566 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:31,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,566 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,566 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,568 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,568 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,568 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:31,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:31,568 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:31,585 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,585 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,585 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:31,585 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,585 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,585 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,587 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,587 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,587 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:31,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:31,587 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,604 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,604 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,604 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:31,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,605 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,605 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,607 - INFO - number of orbitals:  68
-2024-12-09 10:29:31,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,607 - INFO - moving on ...
-2024-12-09 10:29:31,607 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:31,607 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,607 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,607 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,609 - INFO - number of orbitals:  76
-2024-12-09 10:29:31,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,609 - INFO - moving on ...
-2024-12-09 10:29:31,609 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:31,609 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:31,609 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:31,609 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,609 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:31,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,610 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,610 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,611 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:31,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:31,611 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:31,627 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,628 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,628 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:31,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:31,628 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,628 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:31,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,629 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,629 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,630 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:31,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:31,630 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:31,646 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,646 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,647 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:31,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:31,647 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,647 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:31,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,648 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,648 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:31,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:31,648 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:31,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,665 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,665 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:31,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:31,665 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,665 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:31,665 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:31,665 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:31,665 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,665 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:31,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,667 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,667 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,667 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:31,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:31,667 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:31,683 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,684 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,684 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:31,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:31,684 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,684 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:31,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,685 - INFO - number of orbitals:  110
-2024-12-09 10:29:31,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,686 - INFO - moving on ...
-2024-12-09 10:29:31,686 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:31,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,687 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,687 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,687 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:31,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:31,687 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:31,703 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,704 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,704 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:31,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:31,704 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,704 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:31,704 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:31,704 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:31,704 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,704 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:31,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,706 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,706 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,706 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:31,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:31,706 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:31,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,724 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,724 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:31,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:31,724 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,724 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:31,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,726 - INFO - number of orbitals:  110
-2024-12-09 10:29:31,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,726 - INFO - moving on ...
-2024-12-09 10:29:31,726 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:31,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,727 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,727 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,727 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:31,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:31,727 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:31,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,744 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,744 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:31,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:31,744 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,744 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:31,745 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:31,745 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:31,745 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,745 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:31,745 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,745 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,745 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,747 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,747 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,747 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:31,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:31,747 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:31,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,764 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,764 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:31,764 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,767 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,767 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,767 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:31,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:31,767 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,784 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,784 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:31,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,786 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,786 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,786 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:31,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:31,786 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:31,803 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,803 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,803 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:31,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,805 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,805 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,805 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:31,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:31,806 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:31,821 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,822 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,822 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:31,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,824 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,824 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,824 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:31,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:31,824 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:31,840 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,841 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,841 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:31,841 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,841 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,841 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,843 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,843 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,843 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:31,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:31,843 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:31,860 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,860 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,860 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:31,861 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,861 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,861 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,863 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,863 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,863 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:31,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:31,863 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,879 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,880 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,880 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:31,880 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,880 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,880 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,882 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,882 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,882 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:31,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:31,882 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:31,898 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,899 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,899 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:31,899 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,899 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,899 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,901 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,901 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,901 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:31,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:31,902 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:31,918 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,918 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,919 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:31,919 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:31,919 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:31,919 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,919 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:31,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,921 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,921 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,921 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:31,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:31,921 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,937 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,938 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,938 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:31,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:31,938 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,938 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:31,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,939 - INFO - number of orbitals:  88
-2024-12-09 10:29:31,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,939 - INFO - moving on ...
-2024-12-09 10:29:31,940 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:31,940 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:31,940 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:31,940 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,940 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:31,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,941 - INFO - number of orbitals:  76
-2024-12-09 10:29:31,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,941 - INFO - moving on ...
-2024-12-09 10:29:31,941 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:31,941 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:31,941 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:31,941 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,941 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:31,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,943 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,943 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,943 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:31,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:31,943 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:31,959 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,959 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,959 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:31,959 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:31,959 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:31,959 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,959 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:31,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,961 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,961 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,961 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:31,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:31,961 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:31,977 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,977 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,977 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:31,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:31,977 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,977 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:31,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,979 - INFO - number of orbitals:  74
-2024-12-09 10:29:31,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,979 - INFO - moving on ...
-2024-12-09 10:29:31,979 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:31,979 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:31,979 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:31,979 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,979 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:31,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,980 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,981 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,981 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:31,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:31,981 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,997 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,997 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,997 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:31,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:31,997 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,997 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:31,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,998 - INFO - number of orbitals:  90
-2024-12-09 10:29:31,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,999 - INFO - moving on ...
-2024-12-09 10:29:31,999 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:31,999 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:31,999 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:31,999 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,999 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:32,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,000 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,000 - INFO - moving on ...
-2024-12-09 10:29:32,000 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:32,000 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:32,001 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:32,001 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,001 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:32,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,002 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,002 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,002 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:32,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:32,002 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:32,018 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,019 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,019 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:32,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:32,019 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,019 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:32,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,021 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,021 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,021 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,021 - INFO - moving on ...
-2024-12-09 10:29:32,021 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:32,021 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:32,021 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:32,021 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,021 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:32,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,022 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,023 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,023 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:32,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:32,023 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:32,039 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,039 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,039 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:32,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:32,040 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,040 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:32,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,041 - INFO - number of orbitals:  106
-2024-12-09 10:29:32,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,041 - INFO - moving on ...
-2024-12-09 10:29:32,041 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:32,041 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:32,041 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:32,041 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,041 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:32,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,043 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,043 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,043 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:32,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:32,043 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:32,059 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,060 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,060 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:32,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:32,060 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,060 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:32,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,061 - INFO - number of orbitals:  118
-2024-12-09 10:29:32,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,061 - INFO - moving on ...
-2024-12-09 10:29:32,061 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:32,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,063 - INFO - number of orbitals:  68
-2024-12-09 10:29:32,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,063 - INFO - moving on ...
-2024-12-09 10:29:32,063 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:32,063 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:32,063 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:32,063 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,063 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:32,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,064 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,064 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:32,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:32,064 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:32,081 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,081 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,081 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:32,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:32,081 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,081 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:32,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,083 - INFO - number of orbitals:  114
-2024-12-09 10:29:32,083 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,083 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,083 - INFO - moving on ...
-2024-12-09 10:29:32,083 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:32,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,084 - INFO - number of orbitals:  64
-2024-12-09 10:29:32,085 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,085 - INFO - moving on ...
-2024-12-09 10:29:32,085 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:32,085 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:32,085 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:32,085 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,085 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:32,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,086 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,086 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:32,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:32,086 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:32,103 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,103 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,103 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:32,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:32,103 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,103 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:32,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,105 - INFO - number of orbitals:  115
-2024-12-09 10:29:32,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,105 - INFO - moving on ...
-2024-12-09 10:29:32,105 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:32,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,106 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,106 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,106 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:32,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:32,106 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:32,122 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,122 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,123 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:32,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:32,123 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,123 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:32,123 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:32,123 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:32,123 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,123 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:32,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,124 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,125 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,125 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:32,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:32,125 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:32,141 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,141 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,141 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:32,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:32,141 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,141 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:32,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,143 - INFO - number of orbitals:  78
-2024-12-09 10:29:32,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,143 - INFO - moving on ...
-2024-12-09 10:29:32,143 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:32,143 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:32,143 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:32,143 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,143 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:32,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,145 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,145 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:32,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:32,145 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:32,161 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,161 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,161 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:32,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:32,162 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,162 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:32,162 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:32,162 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:32,162 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,162 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:32,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,163 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,163 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,163 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:32,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:32,164 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:32,180 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,181 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,181 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:32,181 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:32,181 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:32,181 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,181 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:32,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,182 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,183 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,183 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:32,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:32,183 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:32,199 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,199 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,199 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:32,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:32,200 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,200 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:32,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,201 - INFO - number of orbitals:  86
-2024-12-09 10:29:32,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,201 - INFO - moving on ...
-2024-12-09 10:29:32,201 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:32,201 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:32,201 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:32,201 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,202 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:32,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,203 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,203 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,203 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:32,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:32,203 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:32,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,220 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,220 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:32,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:32,220 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,220 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:32,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,221 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,221 - INFO - moving on ...
-2024-12-09 10:29:32,221 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:32,222 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:32,222 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:32,222 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,222 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:32,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,223 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,223 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:32,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:32,223 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:32,239 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,240 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,240 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:32,240 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:32,240 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:32,240 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,240 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:32,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,242 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,242 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:32,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:32,242 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:32,258 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,259 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,259 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:32,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:32,259 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,259 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:32,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,261 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,261 - INFO - moving on ...
-2024-12-09 10:29:32,261 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:32,261 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:32,261 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:32,261 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,261 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:32,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,262 - INFO - number of orbitals:  76
-2024-12-09 10:29:32,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,262 - INFO - moving on ...
-2024-12-09 10:29:32,262 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:32,263 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:32,263 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:32,263 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,263 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:32,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,264 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,264 - INFO - moving on ...
-2024-12-09 10:29:32,264 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:32,264 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:32,264 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:32,264 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,264 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:32,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,266 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,266 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:32,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:32,266 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:32,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,282 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,282 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:32,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:32,283 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,283 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:32,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,284 - INFO - number of orbitals:  116
-2024-12-09 10:29:32,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,284 - INFO - moving on ...
-2024-12-09 10:29:32,284 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:32,284 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:32,284 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:32,284 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,284 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:32,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,286 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,286 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,286 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:32,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:32,286 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:32,302 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,303 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,303 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:32,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:32,303 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,303 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:32,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,305 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,305 - INFO - moving on ...
-2024-12-09 10:29:32,305 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:32,305 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:32,305 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:32,305 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,305 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:32,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,306 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,306 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,306 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:32,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:32,306 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:32,323 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,323 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,323 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:32,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:32,323 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,323 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:32,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,325 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,325 - INFO - moving on ...
-2024-12-09 10:29:32,325 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:32,325 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:32,325 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:32,325 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,325 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:32,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,327 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,327 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,327 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:32,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:32,327 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:32,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,343 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,343 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:32,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:32,344 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,344 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:32,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,345 - INFO - number of orbitals:  110
-2024-12-09 10:29:32,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,345 - INFO - moving on ...
-2024-12-09 10:29:32,345 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:32,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,347 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,347 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,347 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:32,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:32,347 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:32,363 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,363 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,363 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:32,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:32,363 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,363 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:32,364 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:32,364 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:32,364 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,364 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:32,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,365 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,365 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,365 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:32,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:32,365 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:32,382 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,382 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,382 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:32,383 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:32,383 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,383 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:32,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,384 - INFO - number of orbitals:  135
-2024-12-09 10:29:32,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,384 - INFO - moving on ...
-2024-12-09 10:29:32,384 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:32,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,386 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,386 - INFO - moving on ...
-2024-12-09 10:29:32,386 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:32,386 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:32,386 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:32,386 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,386 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:32,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,387 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,387 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,387 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:32,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:32,387 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:32,404 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,404 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,404 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:32,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:32,404 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,404 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:32,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,406 - INFO - number of orbitals:  119
-2024-12-09 10:29:32,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,406 - INFO - moving on ...
-2024-12-09 10:29:32,406 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:32,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,407 - INFO - number of orbitals:  62
-2024-12-09 10:29:32,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,408 - INFO - moving on ...
-2024-12-09 10:29:32,408 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:32,408 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:32,408 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:32,408 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,408 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:32,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,409 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,409 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:32,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:32,409 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:32,426 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,427 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,427 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:32,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:32,427 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,427 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:32,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,428 - INFO - number of orbitals:  64
-2024-12-09 10:29:32,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,428 - INFO - moving on ...
-2024-12-09 10:29:32,428 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:32,428 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:32,428 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:32,428 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,429 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:32,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,430 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,430 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:32,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:32,430 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:32,446 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,446 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,446 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:32,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:32,446 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,446 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:32,447 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:32,447 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:32,447 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,447 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:32,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,448 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,448 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,448 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:32,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:32,448 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:32,465 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,465 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,465 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:32,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:32,466 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,466 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:32,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,467 - INFO - number of orbitals:  89
-2024-12-09 10:29:32,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,467 - INFO - moving on ...
-2024-12-09 10:29:32,467 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:32,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,468 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,468 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,468 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:32,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:32,469 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:32,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,485 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,485 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:32,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:32,485 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,485 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:32,486 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:32,486 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:32,486 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,486 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:32,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,487 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,487 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,487 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:32,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:32,487 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:32,503 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,504 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,504 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:32,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:32,504 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,504 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:32,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,505 - INFO - number of orbitals:  94
-2024-12-09 10:29:32,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,506 - INFO - moving on ...
-2024-12-09 10:29:32,506 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:32,506 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:32,506 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:32,506 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,506 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:32,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,507 - INFO - number of orbitals:  70
-2024-12-09 10:29:32,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,507 - INFO - moving on ...
-2024-12-09 10:29:32,507 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:32,507 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:32,507 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:32,507 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,507 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:32,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,509 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,509 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,509 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:32,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:32,509 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:32,527 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,527 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,528 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:32,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:32,528 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,528 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:32,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,531 - INFO - number of orbitals:  79
-2024-12-09 10:29:32,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,531 - INFO - moving on ...
-2024-12-09 10:29:32,531 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:32,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,534 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,534 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:32,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:32,534 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:32,552 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,553 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,553 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:32,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:32,553 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,553 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:32,553 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:32,553 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:32,553 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,553 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:32,553 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,553 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,553 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,555 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,555 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,555 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:32,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:32,555 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:32,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,571 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,572 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:32,572 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,572 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,572 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,574 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,574 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,574 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:32,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:32,574 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:32,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,590 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,590 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:32,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,592 - INFO - number of orbitals:  90
-2024-12-09 10:29:32,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,592 - INFO - moving on ...
-2024-12-09 10:29:32,592 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:32,592 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,593 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,593 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,594 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,594 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,595 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:32,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:32,595 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:32,611 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,612 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,612 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:32,612 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,612 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,612 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,614 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,614 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,614 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:32,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:32,614 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:32,631 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,631 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,631 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:32,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,633 - INFO - number of orbitals:  90
-2024-12-09 10:29:32,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,634 - INFO - moving on ...
-2024-12-09 10:29:32,634 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:32,634 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:32,634 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:32,634 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,634 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:32,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,635 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:32,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:32,635 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:32,652 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,653 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,653 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:32,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:32,653 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,653 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:32,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,654 - INFO - number of orbitals:  115
-2024-12-09 10:29:32,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,655 - INFO - moving on ...
-2024-12-09 10:29:32,655 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:32,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,656 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,656 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,656 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:32,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:32,656 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:32,674 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,675 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,675 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:32,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:32,675 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,675 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:32,675 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:32,675 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:32,675 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,675 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:32,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,677 - INFO - number of orbitals:  76
-2024-12-09 10:29:32,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,677 - INFO - moving on ...
-2024-12-09 10:29:32,677 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:32,677 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:32,677 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:32,677 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,677 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:32,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,679 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,679 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,679 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:32,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:32,679 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:32,696 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,697 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,697 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:32,697 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:32,697 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:32,697 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,697 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:32,697 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,700 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,700 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,700 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:32,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:32,700 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:32,717 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,718 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,718 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:32,718 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,720 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,720 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,720 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:32,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:32,720 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:32,735 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,736 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,736 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:32,736 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,736 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,736 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,738 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,738 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,738 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:32,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:32,738 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:32,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,754 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,754 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:32,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,757 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,757 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:32,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:32,757 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:32,773 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,773 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,773 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:32,773 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,775 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,775 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,775 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:32,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:32,776 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:32,792 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,792 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,792 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:32,792 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,792 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,792 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,794 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,794 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,794 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:32,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:32,794 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:32,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,811 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,811 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:32,811 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:32,811 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:32,811 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,811 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:32,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,813 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,813 - INFO - moving on ...
-2024-12-09 10:29:32,813 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:32,813 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,813 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,815 - INFO - number of orbitals:  70
-2024-12-09 10:29:32,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,815 - INFO - moving on ...
-2024-12-09 10:29:32,815 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:32,815 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,815 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,816 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,817 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,817 - INFO - moving on ...
-2024-12-09 10:29:32,817 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:32,817 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:32,817 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:32,817 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,817 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:32,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,819 - INFO - number of orbitals:  76
-2024-12-09 10:29:32,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,819 - INFO - moving on ...
-2024-12-09 10:29:32,819 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:32,819 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:32,820 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:32,820 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,820 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:32,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,820 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,821 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,822 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,822 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:32,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:32,822 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:32,838 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,838 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,838 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:32,838 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,838 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,838 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,840 - INFO - number of orbitals:  70
-2024-12-09 10:29:32,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,840 - INFO - moving on ...
-2024-12-09 10:29:32,840 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:32,840 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,840 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,840 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,842 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,842 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,842 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:32,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:32,842 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:32,859 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,860 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,860 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:32,860 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,862 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,862 - INFO - moving on ...
-2024-12-09 10:29:32,862 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:32,862 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,862 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,862 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,864 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,864 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,864 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:32,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:32,864 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:32,881 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,882 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,882 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:32,882 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,882 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,882 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,884 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,884 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,884 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:32,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:32,884 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:32,901 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,901 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,901 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:32,901 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,904 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,904 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,904 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:32,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:32,904 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:32,920 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,920 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,920 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:32,920 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,921 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,921 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,922 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,923 - INFO - moving on ...
-2024-12-09 10:29:32,923 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:32,923 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,923 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,923 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,925 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,925 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,925 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:32,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:32,925 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:32,942 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,942 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,942 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:32,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,942 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,945 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,945 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:32,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:32,945 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:32,961 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,961 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,962 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:32,962 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,964 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,964 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,964 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:32,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:32,964 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:32,980 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,981 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,981 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:32,981 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,983 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,983 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,983 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:32,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:32,983 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:32,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,000 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,000 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:33,000 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,000 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,000 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,002 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,002 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,002 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:33,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:33,002 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:33,018 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,019 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,019 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:33,019 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,019 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,019 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,021 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,021 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,021 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:33,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:33,021 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:33,038 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,038 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,038 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:33,038 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,038 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,038 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,041 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,041 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,041 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:33,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:33,041 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:33,057 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,058 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,058 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:33,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,060 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,060 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:33,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:33,060 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:33,076 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,076 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,076 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:33,077 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:33,077 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:33,077 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,077 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:33,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,078 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,078 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,078 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:33,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:33,078 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:33,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,095 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,095 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:33,095 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:33,095 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,095 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:33,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,097 - INFO - number of orbitals:  90
-2024-12-09 10:29:33,097 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:33,097 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,097 - INFO - moving on ...
-2024-12-09 10:29:33,097 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:33,097 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:33,097 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:33,097 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,097 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:33,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,098 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,098 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:33,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:33,099 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:33,114 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,115 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,115 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:33,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:33,115 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,115 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:33,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,117 - INFO - number of orbitals:  118
-2024-12-09 10:29:33,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,117 - INFO - moving on ...
-2024-12-09 10:29:33,117 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:33,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,118 - INFO - number of orbitals:  68
-2024-12-09 10:29:33,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,118 - INFO - moving on ...
-2024-12-09 10:29:33,118 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:33,118 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:33,118 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:33,118 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,118 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:33,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,120 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,120 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,120 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:33,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:33,120 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:33,136 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,137 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,137 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:33,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:33,137 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,137 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:33,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,138 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,139 - INFO - moving on ...
-2024-12-09 10:29:33,139 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:33,139 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:33,139 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:33,139 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,139 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:33,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,140 - INFO - number of orbitals:  66
-2024-12-09 10:29:33,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,140 - INFO - moving on ...
-2024-12-09 10:29:33,140 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:33,141 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:33,141 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:33,141 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,141 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:33,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,143 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,143 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,143 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:33,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:33,143 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:33,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,160 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,160 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:33,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,162 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,162 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,162 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:33,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:33,162 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:33,179 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,179 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,179 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:33,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,182 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,182 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:33,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:33,182 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,199 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,199 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:33,199 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,199 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,199 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,201 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,201 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,201 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:33,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:33,201 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,218 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,218 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,218 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:33,218 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,219 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,219 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,221 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,221 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,221 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:33,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:33,221 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:33,238 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,238 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,238 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:33,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,240 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,240 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:33,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:33,240 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:33,259 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,259 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,259 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:33,259 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,259 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,259 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,261 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,261 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,261 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:33,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:33,262 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:33,278 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,279 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,279 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:33,279 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,279 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,279 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,281 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,281 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,281 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:33,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:33,282 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:33,298 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,299 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,299 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:33,299 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,299 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,299 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,301 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,301 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,301 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:33,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:33,301 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:33,318 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,319 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,319 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:33,319 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,319 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,319 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,321 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,321 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,321 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:33,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:33,321 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:33,337 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,338 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,338 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:33,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,340 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,340 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,340 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:33,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:33,340 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,357 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,357 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:33,357 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,358 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,358 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,360 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,360 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,360 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:33,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:33,360 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:33,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,378 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,378 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:33,378 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:33,378 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:33,378 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,378 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:33,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,380 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,380 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,380 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:33,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:33,380 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:33,397 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,397 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,397 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:33,397 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,398 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,398 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,399 - INFO - number of orbitals:  108
-2024-12-09 10:29:33,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,400 - INFO - moving on ...
-2024-12-09 10:29:33,400 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:33,400 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:33,400 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:33,400 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,400 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:33,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,401 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,401 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,401 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:33,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:33,402 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:33,419 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,419 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,419 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:33,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:33,419 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,420 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:33,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,421 - INFO - number of orbitals:  135
-2024-12-09 10:29:33,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,421 - INFO - moving on ...
-2024-12-09 10:29:33,421 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:33,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,423 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,423 - INFO - moving on ...
-2024-12-09 10:29:33,423 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:33,423 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:33,423 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:33,423 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,423 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:33,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,424 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,424 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,424 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:33,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:33,425 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:33,441 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,441 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,441 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:33,441 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:33,441 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,441 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:33,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,443 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,443 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,443 - INFO - moving on ...
-2024-12-09 10:29:33,443 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:33,443 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:33,443 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:33,443 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,443 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:33,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,444 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,445 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,445 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:33,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:33,445 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:33,461 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,461 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,461 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:33,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:33,462 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,462 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:33,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,463 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,463 - INFO - moving on ...
-2024-12-09 10:29:33,463 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:33,463 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:33,464 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:33,464 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,464 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:33,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,465 - INFO - number of orbitals:  76
-2024-12-09 10:29:33,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,465 - INFO - moving on ...
-2024-12-09 10:29:33,465 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:33,465 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:33,465 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:33,465 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,465 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:33,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,467 - INFO - number of orbitals:  76
-2024-12-09 10:29:33,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,467 - INFO - moving on ...
-2024-12-09 10:29:33,467 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:33,467 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:33,467 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:33,467 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,467 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:33,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,469 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,469 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:33,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:33,469 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:33,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,486 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,486 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:33,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:33,486 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,486 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:33,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,487 - INFO - number of orbitals:  118
-2024-12-09 10:29:33,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,488 - INFO - moving on ...
-2024-12-09 10:29:33,488 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:33,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,489 - INFO - number of orbitals:  68
-2024-12-09 10:29:33,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,489 - INFO - moving on ...
-2024-12-09 10:29:33,489 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:33,489 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:33,489 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:33,489 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,489 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:33,489 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,490 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,490 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,491 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,491 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,491 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:33,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:33,492 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,515 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,515 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,515 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:33,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,518 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,518 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:33,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:33,518 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:33,534 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,535 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,535 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:33,535 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,535 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,537 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,537 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,537 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:33,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:33,537 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:33,554 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,554 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,554 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:33,554 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,554 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,554 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,556 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,556 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,557 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:33,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:33,557 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,573 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,574 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,574 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:33,574 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,574 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,574 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,576 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,576 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,576 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:33,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:33,576 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:33,593 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,593 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,593 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:33,593 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,593 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,593 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,595 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,595 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,595 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:33,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:33,596 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:33,612 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,612 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,612 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:33,612 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,613 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,613 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,614 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,615 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,615 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:33,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:33,615 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:33,631 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,631 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,631 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:33,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,631 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,631 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,633 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,633 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,633 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:33,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:33,634 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:33,651 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,652 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,652 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:33,652 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:33,652 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:33,652 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,652 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:33,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,654 - INFO - number of orbitals:  76
-2024-12-09 10:29:33,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,654 - INFO - moving on ...
-2024-12-09 10:29:33,654 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:33,654 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:33,654 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:33,654 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,654 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:33,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,656 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,656 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,656 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:33,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:33,656 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:33,672 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,672 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,672 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:33,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:33,672 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,673 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:33,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,674 - INFO - number of orbitals:  76
-2024-12-09 10:29:33,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,674 - INFO - moving on ...
-2024-12-09 10:29:33,674 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:33,674 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:33,674 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:33,674 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,674 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:33,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,676 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,676 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,676 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:33,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:33,676 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:33,693 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,694 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,694 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:33,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:33,694 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,694 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:33,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,696 - INFO - number of orbitals:  119
-2024-12-09 10:29:33,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,696 - INFO - moving on ...
-2024-12-09 10:29:33,696 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:33,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,697 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,697 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,697 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:33,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:33,697 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:33,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,714 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,714 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:33,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:33,714 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,714 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:33,714 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:33,715 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:33,715 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,715 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:33,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,716 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,716 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,716 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:33,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:33,716 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:33,733 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,734 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,734 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:33,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:33,734 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,734 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:33,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,736 - INFO - number of orbitals:  135
-2024-12-09 10:29:33,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,736 - INFO - moving on ...
-2024-12-09 10:29:33,736 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:33,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,737 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,737 - INFO - moving on ...
-2024-12-09 10:29:33,737 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:33,737 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:33,737 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:33,737 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,737 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:33,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,739 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,739 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,739 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:33,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:33,739 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:33,755 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,756 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,756 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:33,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:33,756 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,756 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:33,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,758 - INFO - number of orbitals:  118
-2024-12-09 10:29:33,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,758 - INFO - moving on ...
-2024-12-09 10:29:33,758 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:33,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,759 - INFO - number of orbitals:  68
-2024-12-09 10:29:33,759 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,759 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,759 - INFO - moving on ...
-2024-12-09 10:29:33,759 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:33,759 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:33,759 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:33,759 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,759 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:33,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,761 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,761 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,761 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:33,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:33,761 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:33,778 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,779 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,779 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:33,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:33,779 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,779 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:33,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,780 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,780 - INFO - moving on ...
-2024-12-09 10:29:33,780 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:33,781 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:33,781 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:33,781 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,781 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:33,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,782 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,782 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,782 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:33,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:33,782 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:33,799 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,799 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,799 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:33,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:33,799 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,799 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:33,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,801 - INFO - number of orbitals:  110
-2024-12-09 10:29:33,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,801 - INFO - moving on ...
-2024-12-09 10:29:33,801 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:33,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,802 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,802 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,802 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:33,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:33,803 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:33,819 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,819 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,819 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:33,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:33,819 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,819 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:33,819 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:33,819 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:33,819 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,819 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:33,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,821 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,821 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,821 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:33,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:33,821 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:33,837 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,838 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,838 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:33,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:33,838 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,838 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:33,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,840 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,840 - INFO - moving on ...
-2024-12-09 10:29:33,840 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:33,840 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:33,840 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:33,840 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,840 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:33,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,841 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,841 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:33,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:33,841 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:33,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,858 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,858 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:33,858 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:33,858 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:33,858 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,858 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:33,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,859 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,859 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,859 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:33,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:33,860 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:33,875 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,876 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,876 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:33,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:33,876 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,876 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:33,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,877 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,878 - INFO - moving on ...
-2024-12-09 10:29:33,878 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:33,878 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:33,878 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:33,878 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,878 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:33,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,879 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,879 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,879 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:33,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:33,879 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:33,895 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,896 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,896 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:33,896 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:33,896 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:33,896 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,896 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:33,896 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,896 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,896 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,898 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,898 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:33,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:33,898 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:33,915 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,915 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,915 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:33,915 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,915 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,916 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,918 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,918 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,918 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:33,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:33,918 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:33,934 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,934 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,934 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:33,934 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,935 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,935 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,936 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,937 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,937 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:33,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:33,937 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:33,952 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,953 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,953 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:33,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,955 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,955 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,955 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:33,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:33,955 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:33,972 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,972 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,972 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:33,972 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:33,972 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:33,972 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,972 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:33,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,974 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,974 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,974 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:33,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:33,974 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:33,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,991 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,991 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:33,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:33,992 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,992 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:33,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,993 - INFO - number of orbitals:  85
-2024-12-09 10:29:33,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,993 - INFO - moving on ...
-2024-12-09 10:29:33,993 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:33,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,994 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,994 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:33,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:33,995 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:34,011 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,011 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,011 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:34,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:34,011 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,011 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:34,012 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:34,012 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:34,012 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,012 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:34,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,013 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,013 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:34,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:34,013 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:34,029 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,030 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,030 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:34,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:34,030 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,030 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:34,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,031 - INFO - number of orbitals:  110
-2024-12-09 10:29:34,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,031 - INFO - moving on ...
-2024-12-09 10:29:34,031 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:34,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,033 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,033 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,033 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:34,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:34,033 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,049 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,049 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:34,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:34,049 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,049 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:34,049 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:34,049 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:34,049 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,049 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:34,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,051 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,051 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,051 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:34,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:34,051 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:34,068 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,068 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,068 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:34,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:34,068 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,068 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:34,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,070 - INFO - number of orbitals:  85
-2024-12-09 10:29:34,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,070 - INFO - moving on ...
-2024-12-09 10:29:34,070 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:34,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,071 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,071 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,071 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:34,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:34,072 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:34,089 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,089 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,089 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:34,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:34,089 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,089 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:34,090 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:34,090 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:34,090 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,090 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:34,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,091 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,091 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:34,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:34,091 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:34,109 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,109 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,109 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:34,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:34,109 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,109 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:34,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,111 - INFO - number of orbitals:  88
-2024-12-09 10:29:34,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,111 - INFO - moving on ...
-2024-12-09 10:29:34,111 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:34,111 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:34,111 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:34,111 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,111 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:34,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,112 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,112 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,112 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:34,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:34,113 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:34,129 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,129 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,129 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:34,130 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:34,130 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:34,130 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,130 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:34,130 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,130 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,130 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,132 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,132 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,132 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:34,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:34,132 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:34,148 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,148 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,148 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:34,149 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,149 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,149 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,151 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,151 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:34,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:34,151 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,168 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,168 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:34,168 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,168 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,168 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,170 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,170 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:34,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:34,170 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:34,186 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,186 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,186 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:34,187 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,187 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,187 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,189 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,189 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:34,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:34,189 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,205 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,205 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,205 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:34,205 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,205 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,207 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,207 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:34,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:34,207 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:34,224 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,225 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,225 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:34,225 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,225 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,225 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,227 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,227 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:34,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:34,227 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:34,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,244 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,244 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:34,244 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,246 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,246 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,246 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:34,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:34,246 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:34,263 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,263 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,263 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:34,263 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,264 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,264 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,266 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,266 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:34,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:34,266 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:34,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,283 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,283 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:34,283 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,283 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,285 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,285 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,285 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:34,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:34,285 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:34,301 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,302 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,302 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:34,302 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:34,302 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:34,302 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,302 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:34,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,303 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,303 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,303 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:34,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:34,304 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:34,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,320 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,320 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:34,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:34,320 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,320 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:34,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,321 - INFO - number of orbitals:  88
-2024-12-09 10:29:34,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,322 - INFO - moving on ...
-2024-12-09 10:29:34,322 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:34,322 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:34,322 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:34,322 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,322 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:34,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,323 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,323 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,323 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:34,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:34,323 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:34,339 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,340 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,340 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:34,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:34,340 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,340 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:34,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,342 - INFO - number of orbitals:  72
-2024-12-09 10:29:34,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,342 - INFO - moving on ...
-2024-12-09 10:29:34,342 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:34,342 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:34,342 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:34,342 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,342 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:34,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,343 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,343 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,344 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:34,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:34,344 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:34,362 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,362 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,362 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:34,362 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:34,362 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:34,362 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,363 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:34,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,364 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,364 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,364 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:34,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:34,364 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:34,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,382 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,382 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:34,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:34,382 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,382 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:34,382 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:34,382 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:34,382 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,382 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:34,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,384 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,384 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,384 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:34,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:34,384 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:34,400 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,401 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,401 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:34,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:34,401 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,401 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:34,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,403 - INFO - number of orbitals:  116
-2024-12-09 10:29:34,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,403 - INFO - moving on ...
-2024-12-09 10:29:34,403 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:34,403 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:34,403 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:34,403 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,403 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:34,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,404 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,404 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,404 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:34,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:34,405 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:34,421 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,422 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,422 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:34,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:34,422 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,422 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:34,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,424 - INFO - number of orbitals:  79
-2024-12-09 10:29:34,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,424 - INFO - moving on ...
-2024-12-09 10:29:34,424 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:34,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,425 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,425 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,425 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:34,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:34,426 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:34,443 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,444 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,444 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:34,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:34,444 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,444 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:34,444 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:34,444 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:34,444 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,444 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:34,444 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,447 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,447 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:34,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:34,447 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:34,463 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,464 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,464 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:34,464 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,464 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,464 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,466 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,466 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,466 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:34,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:34,466 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:34,482 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,483 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,483 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:34,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,485 - INFO - number of orbitals:  68
-2024-12-09 10:29:34,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,485 - INFO - moving on ...
-2024-12-09 10:29:34,485 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:34,485 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,485 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,485 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,487 - INFO - number of orbitals:  76
-2024-12-09 10:29:34,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,487 - INFO - moving on ...
-2024-12-09 10:29:34,487 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:34,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,489 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,489 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,489 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:34,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:34,489 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:34,506 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,507 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,507 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:34,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,507 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,507 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,509 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,509 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,509 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:34,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:34,509 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:34,525 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,525 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,525 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:34,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,526 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,526 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,527 - INFO - number of orbitals:  68
-2024-12-09 10:29:34,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,528 - INFO - moving on ...
-2024-12-09 10:29:34,528 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:34,528 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,528 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,528 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,529 - INFO - number of orbitals:  76
-2024-12-09 10:29:34,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,529 - INFO - moving on ...
-2024-12-09 10:29:34,529 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:34,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,530 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,531 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,531 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,531 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:34,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:34,531 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:34,548 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,548 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,548 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:34,548 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,548 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,548 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,550 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,550 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,550 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:34,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:34,551 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:34,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,567 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,567 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:34,568 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,568 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,570 - INFO - number of orbitals:  68
-2024-12-09 10:29:34,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,570 - INFO - moving on ...
-2024-12-09 10:29:34,570 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:34,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,572 - INFO - number of orbitals:  76
-2024-12-09 10:29:34,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,572 - INFO - moving on ...
-2024-12-09 10:29:34,572 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:34,572 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:34,572 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:34,572 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,572 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:34,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,574 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,574 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,574 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:34,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:34,574 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:34,590 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,591 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,591 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:34,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:34,591 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,591 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:34,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,592 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,592 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:34,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:34,592 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:34,608 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,609 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,609 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:34,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:34,609 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,609 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:34,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,611 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,611 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,611 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:34,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:34,611 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:34,627 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,627 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,627 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:34,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:34,628 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,628 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:34,628 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:34,628 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:34,628 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,628 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:34,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,629 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,629 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,629 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:34,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:34,630 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:34,646 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,647 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,647 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:34,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:34,647 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,647 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:34,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,648 - INFO - number of orbitals:  110
-2024-12-09 10:29:34,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,648 - INFO - moving on ...
-2024-12-09 10:29:34,648 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:34,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,650 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,650 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:34,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:34,650 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:34,666 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,666 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,666 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:34,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:34,666 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,666 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:34,666 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:34,666 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:34,667 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,667 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:34,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,668 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,668 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,668 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:34,668 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:34,668 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:34,684 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,685 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,685 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:34,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:34,685 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,685 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:34,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,686 - INFO - number of orbitals:  110
-2024-12-09 10:29:34,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,686 - INFO - moving on ...
-2024-12-09 10:29:34,686 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:34,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,687 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,687 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,688 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:34,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:34,688 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:34,703 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,704 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,704 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:34,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:34,704 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,704 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:34,704 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:34,704 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:34,704 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,704 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:34,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,707 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,707 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,707 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:34,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:34,707 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:34,723 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,723 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,723 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:34,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,725 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,725 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,725 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:34,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:34,725 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,742 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,742 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,742 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:34,743 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,743 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,743 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,745 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,745 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,745 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:34,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:34,745 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:34,768 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,768 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,769 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:34,769 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,769 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,769 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,771 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,771 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,772 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:34,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:34,772 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:34,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,794 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,794 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:34,794 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,797 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,797 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:34,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:34,797 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:34,814 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,814 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,814 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:34,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,816 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,816 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:34,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:34,816 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:34,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,833 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,833 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:34,833 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,836 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,836 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:34,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:34,836 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:34,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,853 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,853 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:34,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,855 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,855 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:34,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:34,855 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:34,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,872 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,872 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:34,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,875 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:34,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:34,875 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:34,894 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,894 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,894 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:34,895 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:34,895 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:34,895 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,895 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:34,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,897 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,897 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,897 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:34,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:34,897 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,919 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,920 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,920 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:34,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:34,920 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,920 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:34,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,923 - INFO - number of orbitals:  88
-2024-12-09 10:29:34,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,923 - INFO - moving on ...
-2024-12-09 10:29:34,923 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:34,923 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:34,923 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:34,923 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,923 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:34,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,925 - INFO - number of orbitals:  76
-2024-12-09 10:29:34,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,925 - INFO - moving on ...
-2024-12-09 10:29:34,926 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:34,926 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:34,926 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:34,926 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,926 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:34,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,928 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,928 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,928 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:34,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:34,928 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:34,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,950 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,951 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:34,951 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:34,951 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:34,951 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,951 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:34,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,953 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,954 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,954 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:34,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:34,954 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:34,977 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,978 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,978 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:34,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:34,978 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,978 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:34,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,980 - INFO - number of orbitals:  74
-2024-12-09 10:29:34,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,981 - INFO - moving on ...
-2024-12-09 10:29:34,981 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:34,981 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:34,981 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:34,981 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,981 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:34,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,983 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,983 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,983 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:34,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:34,983 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:35,007 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,008 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,008 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:35,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:35,008 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,008 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:35,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,010 - INFO - number of orbitals:  90
-2024-12-09 10:29:35,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,011 - INFO - moving on ...
-2024-12-09 10:29:35,011 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:35,011 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:35,011 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:35,011 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,011 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:35,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,013 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,013 - INFO - moving on ...
-2024-12-09 10:29:35,013 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:35,013 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:35,013 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:35,013 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,013 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:35,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,015 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,015 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,015 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:35,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:35,015 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:35,037 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,037 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,037 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:35,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:35,038 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,038 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:35,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,040 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,040 - INFO - moving on ...
-2024-12-09 10:29:35,040 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:35,040 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:35,040 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:35,040 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,040 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:35,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,042 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,042 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,043 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:35,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:35,043 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:35,064 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,064 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,065 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:35,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:35,065 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,065 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:35,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,066 - INFO - number of orbitals:  106
-2024-12-09 10:29:35,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,067 - INFO - moving on ...
-2024-12-09 10:29:35,067 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:35,067 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:35,067 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:35,067 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,067 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:35,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,068 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,068 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:35,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:35,068 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:35,086 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,086 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,086 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:35,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:35,086 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,086 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:35,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,088 - INFO - number of orbitals:  118
-2024-12-09 10:29:35,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,088 - INFO - moving on ...
-2024-12-09 10:29:35,088 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:35,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,090 - INFO - number of orbitals:  68
-2024-12-09 10:29:35,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,090 - INFO - moving on ...
-2024-12-09 10:29:35,090 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:35,090 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:35,090 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:35,090 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,090 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:35,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,091 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,091 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:35,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:35,092 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:35,109 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,109 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,109 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:35,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:35,110 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,110 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:35,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,111 - INFO - number of orbitals:  114
-2024-12-09 10:29:35,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,111 - INFO - moving on ...
-2024-12-09 10:29:35,111 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:35,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,113 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,113 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,113 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:35,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:35,113 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:35,130 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,131 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,131 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:35,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:35,131 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,131 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:35,131 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:35,131 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:35,131 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,131 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:35,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,133 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,133 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,133 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:35,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:35,133 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:35,150 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,150 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,150 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:35,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:35,150 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,150 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:35,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,152 - INFO - number of orbitals:  115
-2024-12-09 10:29:35,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,152 - INFO - moving on ...
-2024-12-09 10:29:35,152 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:35,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,153 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,153 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,153 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:35,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:35,153 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:35,170 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,170 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,170 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:35,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:35,170 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,170 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:35,171 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:35,171 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:35,171 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,171 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:35,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,172 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,172 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,172 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:35,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:35,172 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:35,188 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,189 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,189 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:35,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:35,189 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,189 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:35,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,191 - INFO - number of orbitals:  78
-2024-12-09 10:29:35,191 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,191 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,191 - INFO - moving on ...
-2024-12-09 10:29:35,191 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:35,191 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:35,191 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:35,191 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,191 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:35,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,192 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,192 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,192 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:35,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:35,192 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:35,209 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,209 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,209 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:35,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:35,209 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,209 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:35,209 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:35,210 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:35,210 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,210 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:35,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,211 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,211 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,211 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:35,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:35,211 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:35,228 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,228 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,228 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:35,228 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:35,228 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:35,228 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,229 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:35,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,230 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,230 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,230 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:35,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:35,230 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:35,247 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,247 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,247 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:35,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:35,247 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,247 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:35,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,249 - INFO - number of orbitals:  86
-2024-12-09 10:29:35,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,249 - INFO - moving on ...
-2024-12-09 10:29:35,249 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:35,249 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:35,249 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:35,249 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,249 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:35,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,250 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,251 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,251 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:35,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:35,251 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:35,268 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,268 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,268 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:35,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:35,268 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,268 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:35,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,270 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,270 - INFO - moving on ...
-2024-12-09 10:29:35,270 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:35,271 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:35,271 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:35,271 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,271 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:35,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,272 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,272 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:35,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:35,272 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:35,289 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,289 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,289 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:35,289 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:35,290 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:35,290 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,290 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:35,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,291 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,291 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,291 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:35,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:35,291 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:35,309 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,309 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,309 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:35,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:35,309 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,309 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:35,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,311 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,311 - INFO - moving on ...
-2024-12-09 10:29:35,311 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:35,311 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:35,311 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:35,311 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,311 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:35,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,313 - INFO - number of orbitals:  76
-2024-12-09 10:29:35,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,313 - INFO - moving on ...
-2024-12-09 10:29:35,313 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:35,313 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:35,313 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:35,313 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,313 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:35,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,314 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,314 - INFO - moving on ...
-2024-12-09 10:29:35,315 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:35,315 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:35,315 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:35,315 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,315 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:35,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,316 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,316 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:35,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:35,316 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:35,336 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,337 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,337 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:35,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:35,337 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,337 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:35,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,339 - INFO - number of orbitals:  116
-2024-12-09 10:29:35,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,339 - INFO - moving on ...
-2024-12-09 10:29:35,339 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:35,339 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:35,339 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:35,339 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,339 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:35,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,340 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,340 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,340 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:35,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:35,340 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:35,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,357 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,357 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:35,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:35,357 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,357 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:35,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,359 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,359 - INFO - moving on ...
-2024-12-09 10:29:35,359 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:35,359 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:35,359 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:35,359 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,359 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:35,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,361 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,361 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,361 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:35,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:35,361 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:35,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,378 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,378 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:35,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:35,378 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,378 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:35,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,379 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,380 - INFO - moving on ...
-2024-12-09 10:29:35,380 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:35,380 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:35,380 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:35,380 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,380 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:35,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,381 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,381 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,381 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:35,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:35,381 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:35,398 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,398 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,398 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:35,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:35,398 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,398 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:35,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,400 - INFO - number of orbitals:  110
-2024-12-09 10:29:35,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,400 - INFO - moving on ...
-2024-12-09 10:29:35,400 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:35,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,401 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,401 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,401 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:35,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:35,401 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:35,417 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,418 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,418 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:35,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:35,418 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,418 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:35,418 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:35,418 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:35,418 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,418 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:35,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,420 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,420 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,420 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:35,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:35,420 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:35,436 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,437 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,437 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:35,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:35,437 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,437 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:35,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,439 - INFO - number of orbitals:  135
-2024-12-09 10:29:35,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,439 - INFO - moving on ...
-2024-12-09 10:29:35,439 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:35,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,441 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,441 - INFO - moving on ...
-2024-12-09 10:29:35,441 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:35,441 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:35,441 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:35,441 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,441 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:35,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,442 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,443 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:35,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:35,443 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:35,459 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,460 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,460 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:35,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:35,460 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,460 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:35,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,461 - INFO - number of orbitals:  119
-2024-12-09 10:29:35,461 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,461 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,461 - INFO - moving on ...
-2024-12-09 10:29:35,461 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:35,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,463 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,463 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,463 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:35,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:35,463 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:35,479 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,479 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,479 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:35,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:35,480 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,480 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:35,480 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:35,480 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:35,480 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,480 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:35,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,481 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,481 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,481 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:35,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:35,482 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:35,498 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,498 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,498 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:35,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:35,499 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,499 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:35,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,500 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,500 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,500 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:35,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:35,500 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:35,517 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,517 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,517 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:35,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:35,518 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,518 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:35,518 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:35,518 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:35,518 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,518 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:35,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,519 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,519 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,520 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:35,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:35,520 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:35,536 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,536 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,536 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:35,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:35,536 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,536 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:35,536 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:35,536 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:35,536 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,537 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:35,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,538 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,538 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,538 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:35,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:35,538 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:35,554 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,554 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,554 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:35,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:35,554 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,554 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:35,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,556 - INFO - number of orbitals:  89
-2024-12-09 10:29:35,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,556 - INFO - moving on ...
-2024-12-09 10:29:35,556 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:35,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,557 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,557 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,557 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:35,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:35,557 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:35,573 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,574 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,574 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:35,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:35,574 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,574 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:35,574 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:35,574 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:35,574 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,574 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:35,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,576 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,576 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,576 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:35,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:35,576 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:35,592 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,592 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,592 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:35,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:35,593 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,593 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:35,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,594 - INFO - number of orbitals:  94
-2024-12-09 10:29:35,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,594 - INFO - moving on ...
-2024-12-09 10:29:35,594 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:35,595 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:35,595 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:35,595 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,595 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:35,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,596 - INFO - number of orbitals:  70
-2024-12-09 10:29:35,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,596 - INFO - moving on ...
-2024-12-09 10:29:35,596 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:35,596 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:35,596 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:35,596 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,596 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:35,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,598 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,598 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,598 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:35,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:35,598 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:35,614 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,614 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,614 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:35,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:35,615 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,615 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:35,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,616 - INFO - number of orbitals:  79
-2024-12-09 10:29:35,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,616 - INFO - moving on ...
-2024-12-09 10:29:35,616 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:35,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,618 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,618 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,618 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:35,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:35,618 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:35,635 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,635 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,635 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:35,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:35,636 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,636 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:35,636 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:35,636 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:35,636 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,636 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:35,636 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,636 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,636 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,638 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,638 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,638 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:35,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:35,638 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:35,656 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,656 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,656 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:35,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,657 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,657 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,659 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,659 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,659 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:35,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:35,659 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:35,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,676 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,676 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:35,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,678 - INFO - number of orbitals:  90
-2024-12-09 10:29:35,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,678 - INFO - moving on ...
-2024-12-09 10:29:35,678 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:35,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,680 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,681 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,681 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:35,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:35,681 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:35,698 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,698 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,698 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:35,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,699 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,699 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,701 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,701 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,701 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:35,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:35,701 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:35,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,723 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,723 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:35,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,725 - INFO - number of orbitals:  90
-2024-12-09 10:29:35,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,725 - INFO - moving on ...
-2024-12-09 10:29:35,725 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:35,725 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:35,725 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:35,726 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,726 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:35,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,727 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,727 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,727 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:35,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:35,727 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:35,743 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,744 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,744 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:35,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:35,744 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,744 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:35,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,745 - INFO - number of orbitals:  115
-2024-12-09 10:29:35,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,745 - INFO - moving on ...
-2024-12-09 10:29:35,745 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:35,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,747 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,747 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,747 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:35,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:35,747 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:35,763 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,763 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,763 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:35,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:35,763 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,763 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:35,763 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:35,763 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:35,764 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,764 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:35,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,765 - INFO - number of orbitals:  76
-2024-12-09 10:29:35,765 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,765 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,765 - INFO - moving on ...
-2024-12-09 10:29:35,765 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:35,765 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:35,765 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:35,765 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,765 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:35,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,767 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,767 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,767 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:35,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:35,767 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:35,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,783 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,783 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:35,784 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:35,784 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:35,784 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,784 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:35,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,786 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,786 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,786 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:35,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:35,786 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:35,803 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,803 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,803 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:35,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,805 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,805 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,805 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:35,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:35,805 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:35,821 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,822 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,822 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:35,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,824 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,824 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,824 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:35,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:35,824 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:35,840 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,841 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,841 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:35,841 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,841 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,841 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,843 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,843 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,843 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:35,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:35,843 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:35,859 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,860 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,860 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:35,860 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,862 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,862 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,862 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:35,862 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:35,862 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:35,878 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,878 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,878 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:35,878 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,879 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,879 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,881 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,881 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,881 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:35,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:35,881 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:35,898 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,898 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,898 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:35,898 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:35,898 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:35,898 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,898 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:35,898 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,899 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,899 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,901 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,901 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,901 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,901 - INFO - moving on ...
-2024-12-09 10:29:35,901 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:35,901 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,901 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,901 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,903 - INFO - number of orbitals:  70
-2024-12-09 10:29:35,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,903 - INFO - moving on ...
-2024-12-09 10:29:35,903 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:35,903 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,903 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,903 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,905 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,905 - INFO - moving on ...
-2024-12-09 10:29:35,905 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:35,905 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:35,905 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:35,905 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,905 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:35,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,907 - INFO - number of orbitals:  76
-2024-12-09 10:29:35,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,907 - INFO - moving on ...
-2024-12-09 10:29:35,907 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:35,907 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:35,907 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:35,907 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,907 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:35,907 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,908 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,908 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,909 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,909 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,909 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:35,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:35,909 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:35,926 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,926 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,926 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:35,926 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,926 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,926 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,928 - INFO - number of orbitals:  70
-2024-12-09 10:29:35,928 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,928 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,929 - INFO - moving on ...
-2024-12-09 10:29:35,929 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:35,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,929 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,931 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,931 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:35,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:35,931 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:35,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,947 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,947 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:35,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,949 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,950 - INFO - moving on ...
-2024-12-09 10:29:35,950 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:35,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,950 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,950 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,951 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,952 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,952 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:35,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:35,952 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:35,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,968 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,968 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:35,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,969 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,969 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,970 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,971 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,971 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:35,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:35,971 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:35,987 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,988 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,988 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:35,988 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,988 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,988 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,990 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,990 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,990 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:35,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:35,990 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:36,006 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,006 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,006 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:36,007 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,007 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,007 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,009 - INFO - number of orbitals:  69
-2024-12-09 10:29:36,009 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:36,009 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,009 - INFO - moving on ...
-2024-12-09 10:29:36,009 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:36,009 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,009 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,009 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,011 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,011 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,011 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:36,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:36,011 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:36,027 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,027 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,027 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:36,028 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,028 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,028 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,030 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,030 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,030 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:36,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:36,030 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:36,045 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,046 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,046 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:36,046 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,046 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,046 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,048 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,048 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,048 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:36,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:36,048 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:36,064 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,064 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,064 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:36,064 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,066 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,066 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,066 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:36,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:36,066 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:36,082 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,083 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,083 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:36,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,085 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,085 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:36,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:36,085 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:36,101 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,101 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,101 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:36,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,103 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,103 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:36,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:36,104 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:36,119 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,119 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,120 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:36,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,122 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,122 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,122 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:36,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:36,122 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:36,138 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,138 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,139 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:36,139 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,139 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,139 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,141 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,141 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:36,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:36,141 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:36,157 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,157 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,157 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:36,158 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:36,158 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:36,158 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,158 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:36,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,159 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,159 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:36,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:36,159 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:36,175 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,175 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,176 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:36,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:36,176 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,176 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:36,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,177 - INFO - number of orbitals:  90
-2024-12-09 10:29:36,177 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:36,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,177 - INFO - moving on ...
-2024-12-09 10:29:36,177 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:36,178 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:36,178 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:36,178 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,178 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:36,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,179 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,179 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,179 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:36,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:36,179 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:36,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,195 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,195 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:36,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:36,195 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,195 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:36,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,196 - INFO - number of orbitals:  118
-2024-12-09 10:29:36,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,196 - INFO - moving on ...
-2024-12-09 10:29:36,196 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:36,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,198 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,198 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,198 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:36,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:36,198 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:36,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,214 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,215 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:36,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:36,215 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,215 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:36,215 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:36,215 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:36,215 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,215 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:36,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,217 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,217 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,217 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:36,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:36,217 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:36,233 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,233 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,233 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:36,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:36,234 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,234 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:36,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,235 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,235 - INFO - moving on ...
-2024-12-09 10:29:36,235 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:36,236 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:36,236 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:36,236 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,236 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:36,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,237 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,237 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:36,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:36,237 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,254 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,254 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,254 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:36,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:36,254 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,254 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:36,255 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:36,255 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:36,255 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,255 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:36,255 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,255 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,255 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,257 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,257 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,258 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:36,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:36,258 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:36,275 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,275 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,276 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:36,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,276 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,276 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,278 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,278 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:36,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:36,278 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:36,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,295 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,296 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:36,296 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,296 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,296 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,298 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,298 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:36,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:36,298 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,315 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,315 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,315 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:36,315 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,315 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,315 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,317 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,317 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,317 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:36,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:36,317 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,334 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,334 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:36,334 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,334 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,334 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,336 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,336 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:36,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:36,336 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:36,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,353 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,353 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:36,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,355 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,355 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,355 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:36,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:36,355 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:36,371 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,372 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,372 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:36,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,372 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,372 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,374 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,374 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:36,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:36,374 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:36,391 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,392 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,392 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:36,392 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,392 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,392 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,394 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,394 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:36,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:36,394 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:36,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,410 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,410 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:36,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,413 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,413 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:36,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:36,413 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:36,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,431 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,431 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:36,431 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,431 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,431 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,433 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,433 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:36,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:36,434 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:36,450 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,451 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,451 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:36,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,453 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,453 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:36,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:36,453 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,471 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,471 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,471 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:36,471 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,471 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,471 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,473 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,473 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,473 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:36,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:36,473 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:36,490 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,490 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,490 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:36,490 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:36,490 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:36,490 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,491 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:36,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,492 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,493 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,493 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:36,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:36,493 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:36,508 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,509 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,509 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:36,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,509 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,509 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,511 - INFO - number of orbitals:  108
-2024-12-09 10:29:36,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,511 - INFO - moving on ...
-2024-12-09 10:29:36,511 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:36,511 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:36,511 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:36,511 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,511 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:36,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,512 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,512 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,513 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:36,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:36,513 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:36,529 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,529 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,530 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:36,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:36,530 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,530 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:36,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,531 - INFO - number of orbitals:  135
-2024-12-09 10:29:36,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,531 - INFO - moving on ...
-2024-12-09 10:29:36,532 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:36,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,533 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,533 - INFO - moving on ...
-2024-12-09 10:29:36,533 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:36,533 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:36,533 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:36,533 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,533 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:36,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,535 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:36,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:36,535 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:36,552 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,552 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,552 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:36,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:36,553 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,553 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:36,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,554 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,555 - INFO - moving on ...
-2024-12-09 10:29:36,555 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:36,555 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:36,555 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:36,555 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,555 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:36,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,557 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,557 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,557 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:36,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:36,557 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:36,575 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,575 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,575 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:36,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:36,575 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,575 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:36,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,577 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,577 - INFO - moving on ...
-2024-12-09 10:29:36,577 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:36,577 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:36,577 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:36,577 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,577 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:36,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,579 - INFO - number of orbitals:  76
-2024-12-09 10:29:36,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,579 - INFO - moving on ...
-2024-12-09 10:29:36,579 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:36,579 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:36,579 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:36,579 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,579 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:36,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,580 - INFO - number of orbitals:  76
-2024-12-09 10:29:36,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,581 - INFO - moving on ...
-2024-12-09 10:29:36,581 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:36,581 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:36,581 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:36,581 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,581 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:36,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,582 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,582 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:36,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:36,582 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:36,599 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,599 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,599 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:36,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:36,599 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,599 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:36,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,601 - INFO - number of orbitals:  118
-2024-12-09 10:29:36,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,601 - INFO - moving on ...
-2024-12-09 10:29:36,601 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:36,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,602 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,602 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,602 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:36,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:36,602 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:36,618 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,618 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,619 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:36,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:36,619 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,619 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:36,619 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:36,619 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:36,619 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,619 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:36,619 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,619 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,619 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,621 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,621 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,621 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:36,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:36,621 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,637 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,637 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,637 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:36,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,637 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,637 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,639 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,639 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,639 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:36,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:36,639 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:36,655 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,655 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,655 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:36,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,657 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,657 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,657 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:36,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:36,658 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:36,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,675 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,675 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:36,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,678 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,678 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,678 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:36,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:36,678 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,694 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,695 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,695 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:36,695 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,695 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,695 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,697 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,697 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,697 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:36,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:36,697 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:36,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,713 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,713 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:36,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,713 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,713 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,715 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,715 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:36,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:36,716 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:36,731 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,731 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,732 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:36,732 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,732 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,732 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,734 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,734 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,734 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:36,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:36,734 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:36,751 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,751 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,751 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:36,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,754 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,754 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:36,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:36,754 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:36,771 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,771 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,771 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:36,772 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:36,772 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:36,772 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,772 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:36,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,773 - INFO - number of orbitals:  76
-2024-12-09 10:29:36,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,773 - INFO - moving on ...
-2024-12-09 10:29:36,773 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:36,773 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:36,773 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:36,773 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,774 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:36,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,775 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,775 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,775 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:36,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:36,775 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:36,791 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,791 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,791 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:36,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:36,791 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,792 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:36,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,793 - INFO - number of orbitals:  76
-2024-12-09 10:29:36,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,793 - INFO - moving on ...
-2024-12-09 10:29:36,793 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:36,793 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:36,793 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:36,794 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,794 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:36,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,795 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,795 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,795 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:36,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:36,795 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:36,811 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,811 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,812 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:36,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:36,812 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,812 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:36,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,813 - INFO - number of orbitals:  119
-2024-12-09 10:29:36,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,813 - INFO - moving on ...
-2024-12-09 10:29:36,813 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:36,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,815 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,815 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,815 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:36,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:36,815 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:36,831 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,831 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,831 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:36,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:36,831 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,831 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:36,831 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:36,832 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:36,832 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,832 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:36,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,833 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,833 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,833 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:36,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:36,833 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:36,849 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,850 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,850 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:36,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:36,850 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,850 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:36,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,852 - INFO - number of orbitals:  135
-2024-12-09 10:29:36,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,852 - INFO - moving on ...
-2024-12-09 10:29:36,852 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:36,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,853 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,853 - INFO - moving on ...
-2024-12-09 10:29:36,853 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:36,853 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:36,853 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:36,853 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,853 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:36,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,854 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,855 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,855 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:36,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:36,855 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:36,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,871 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,871 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:36,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:36,871 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,871 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:36,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,873 - INFO - number of orbitals:  118
-2024-12-09 10:29:36,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,873 - INFO - moving on ...
-2024-12-09 10:29:36,873 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:36,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,874 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,874 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:36,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:36,874 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:36,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,891 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,891 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:36,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:36,891 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,891 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:36,891 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:36,891 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:36,891 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,891 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:36,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,893 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,893 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:36,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:36,893 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:36,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,909 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,909 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:36,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:36,909 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,909 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:36,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,911 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,911 - INFO - moving on ...
-2024-12-09 10:29:36,911 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:36,911 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:36,911 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:36,911 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,911 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:36,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,912 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,912 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,912 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:36,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:36,912 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:36,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,929 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,929 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:36,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:36,929 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,929 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:36,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,931 - INFO - number of orbitals:  110
-2024-12-09 10:29:36,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,931 - INFO - moving on ...
-2024-12-09 10:29:36,931 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:36,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,932 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,932 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:36,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:36,933 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:36,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,949 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,949 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:36,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:36,949 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,949 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:36,950 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:36,950 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:36,950 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,950 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:36,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,951 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,951 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,951 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:36,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:36,951 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:36,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,968 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,968 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:36,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:36,968 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,968 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:36,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,970 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,970 - INFO - moving on ...
-2024-12-09 10:29:36,970 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:36,970 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:36,970 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:36,970 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,971 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:36,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,972 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,972 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:36,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:36,972 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:36,989 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,989 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,989 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:36,990 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:36,990 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:36,990 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,990 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:36,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,991 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,991 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,991 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:36,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:36,991 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:37,008 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,009 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,009 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:37,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:37,009 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,009 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:37,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,010 - INFO - number of orbitals:  88
-2024-12-09 10:29:37,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,010 - INFO - moving on ...
-2024-12-09 10:29:37,011 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:37,011 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:37,011 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:37,011 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,011 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:37,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,012 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,012 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,012 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:37,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:37,012 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:37,028 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,029 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,029 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:37,029 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:37,029 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:37,029 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,029 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:37,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,032 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,032 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:37,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:37,032 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,049 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,049 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:37,049 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,049 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,051 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,051 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,051 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:37,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:37,051 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:37,068 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,068 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,068 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:37,068 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,068 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,069 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,071 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,071 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,071 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:37,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:37,071 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,087 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,088 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,088 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:37,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,090 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,090 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:37,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:37,090 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:37,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,106 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,106 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:37,107 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:37,107 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:37,107 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,107 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:37,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,108 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,108 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,108 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:37,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:37,108 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,123 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,123 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,123 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:37,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:37,123 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,123 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:37,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,125 - INFO - number of orbitals:  85
-2024-12-09 10:29:37,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,125 - INFO - moving on ...
-2024-12-09 10:29:37,125 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:37,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,126 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,126 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,126 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:37,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:37,126 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:37,142 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,142 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,142 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:37,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:37,142 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,142 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:37,143 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:37,143 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:37,143 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,143 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:37,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,144 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,144 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,144 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:37,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:37,144 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:37,160 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,160 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,161 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:37,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:37,161 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,161 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:37,162 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,162 - INFO - number of orbitals:  110
-2024-12-09 10:29:37,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,162 - INFO - moving on ...
-2024-12-09 10:29:37,162 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:37,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,163 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,163 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,163 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:37,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:37,164 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:37,178 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,179 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,179 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:37,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:37,179 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,179 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:37,179 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:37,179 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:37,179 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,179 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:37,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,181 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,181 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:37,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:37,181 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:37,196 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,196 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,196 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:37,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:37,196 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,196 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:37,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,198 - INFO - number of orbitals:  85
-2024-12-09 10:29:37,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,198 - INFO - moving on ...
-2024-12-09 10:29:37,198 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:37,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,199 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,199 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,199 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:37,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:37,199 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:37,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,215 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,215 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:37,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:37,215 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,215 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:37,215 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:37,215 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:37,215 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,215 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:37,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,217 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,217 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:37,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:37,217 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:37,232 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,232 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,232 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:37,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:37,232 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,232 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:37,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,234 - INFO - number of orbitals:  88
-2024-12-09 10:29:37,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,234 - INFO - moving on ...
-2024-12-09 10:29:37,234 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:37,234 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:37,234 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:37,235 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,235 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:37,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,236 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,236 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,236 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:37,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:37,236 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:37,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,253 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,254 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:37,254 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:37,254 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:37,254 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,254 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:37,254 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,254 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,254 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,256 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,257 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,257 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:37,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:37,257 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:37,277 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,277 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,277 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:37,277 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,278 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,278 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,280 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,280 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,280 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:37,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:37,280 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:37,297 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,297 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,297 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:37,297 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,297 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,297 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,299 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,299 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,299 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:37,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:37,300 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:37,316 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,316 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,316 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:37,316 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,317 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,317 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,318 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,318 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,319 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:37,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:37,319 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:37,335 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,335 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,335 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:37,335 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,335 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,335 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,337 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,337 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,337 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:37,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:37,337 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:37,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,353 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,354 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:37,354 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,354 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,354 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,356 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,356 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:37,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:37,356 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:37,373 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,373 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,373 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:37,373 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,375 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,375 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,375 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:37,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:37,375 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:37,392 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,392 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,392 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:37,392 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,393 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,393 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,395 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,395 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:37,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:37,395 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:37,411 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,412 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,412 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:37,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,414 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,414 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,414 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:37,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:37,414 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:37,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,431 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,431 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:37,431 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:37,431 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:37,431 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,431 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:37,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,433 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,433 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:37,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:37,433 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:37,449 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,450 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,450 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:37,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:37,450 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,450 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:37,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,452 - INFO - number of orbitals:  88
-2024-12-09 10:29:37,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,452 - INFO - moving on ...
-2024-12-09 10:29:37,452 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:37,452 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:37,452 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:37,452 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,452 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:37,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,454 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,454 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,454 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:37,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:37,454 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:37,471 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,472 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,472 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:37,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:37,472 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,472 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:37,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,474 - INFO - number of orbitals:  72
-2024-12-09 10:29:37,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,474 - INFO - moving on ...
-2024-12-09 10:29:37,474 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:37,474 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:37,474 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:37,475 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,475 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:37,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,476 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,476 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,476 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:37,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:37,476 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:37,492 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,493 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,493 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:37,493 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:37,493 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:37,493 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,493 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:37,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,495 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,495 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,495 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:37,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:37,495 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:37,511 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,512 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,512 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:37,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:37,512 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,512 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:37,512 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:37,512 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:37,512 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,512 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:37,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,514 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,514 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,514 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:37,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:37,514 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:37,531 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,531 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,531 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:37,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:37,531 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,531 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:37,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,533 - INFO - number of orbitals:  116
-2024-12-09 10:29:37,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,533 - INFO - moving on ...
-2024-12-09 10:29:37,533 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:37,533 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:37,533 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:37,533 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,533 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:37,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,535 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,535 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:37,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:37,535 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,551 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,551 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:37,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:37,551 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,551 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:37,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,552 - INFO - number of orbitals:  79
-2024-12-09 10:29:37,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,553 - INFO - moving on ...
-2024-12-09 10:29:37,553 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:37,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,554 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,554 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,554 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:37,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:37,554 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:37,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,570 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,570 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:37,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:37,570 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,570 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:37,570 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:37,570 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:37,570 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,570 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:37,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,572 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,572 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:37,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:37,572 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:37,588 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,588 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,588 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:37,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,589 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,589 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,590 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,591 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:37,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:37,591 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:37,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,607 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,607 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:37,607 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,607 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,607 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,609 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,609 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:37,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:37,610 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:37,625 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,626 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,626 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:37,626 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,626 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,626 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,628 - INFO - number of orbitals:  76
-2024-12-09 10:29:37,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,628 - INFO - moving on ...
-2024-12-09 10:29:37,628 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:37,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,630 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,630 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,630 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:37,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:37,630 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:37,645 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,646 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,646 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:37,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,646 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,648 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,648 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:37,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:37,648 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:37,663 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,664 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,664 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:37,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,666 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,666 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:37,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:37,666 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:37,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,683 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,683 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:37,683 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,683 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,685 - INFO - number of orbitals:  76
-2024-12-09 10:29:37,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,685 - INFO - moving on ...
-2024-12-09 10:29:37,685 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:37,685 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,685 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,685 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,687 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,687 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,687 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:37,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:37,687 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:37,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,703 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,703 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:37,703 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,703 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,703 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,705 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,705 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:37,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:37,705 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,721 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,721 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:37,722 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,722 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,722 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,723 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,724 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,724 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:37,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:37,724 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:37,739 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,740 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,740 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:37,740 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,740 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,740 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,742 - INFO - number of orbitals:  76
-2024-12-09 10:29:37,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,742 - INFO - moving on ...
-2024-12-09 10:29:37,742 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:37,742 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:37,742 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:37,742 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,742 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:37,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,743 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,743 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,743 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:37,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:37,744 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:37,759 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,759 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,759 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:37,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:37,759 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,759 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:37,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,761 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,761 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,761 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:37,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:37,761 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:37,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,777 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,777 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:37,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:37,777 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,777 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:37,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,778 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,778 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,778 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:37,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:37,778 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:37,795 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,795 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,795 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:37,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:37,795 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,795 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:37,796 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:37,796 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:37,796 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,796 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:37,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,797 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,797 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:37,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:37,797 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:37,814 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,814 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,815 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:37,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:37,815 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,815 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:37,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,816 - INFO - number of orbitals:  110
-2024-12-09 10:29:37,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,816 - INFO - moving on ...
-2024-12-09 10:29:37,816 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:37,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,818 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,818 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,818 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:37,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:37,818 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:37,834 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,834 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,834 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:37,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:37,834 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,834 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:37,835 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:37,835 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:37,835 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,835 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:37,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,836 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,836 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:37,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:37,836 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:37,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,853 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,853 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:37,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:37,853 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,853 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:37,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,855 - INFO - number of orbitals:  110
-2024-12-09 10:29:37,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,855 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,855 - INFO - moving on ...
-2024-12-09 10:29:37,855 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:37,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,856 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,856 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,856 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:37,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:37,856 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:37,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,872 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,872 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:37,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:37,873 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,873 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:37,873 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:37,873 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:37,873 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,873 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:37,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,875 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,875 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:37,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:37,875 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:37,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,891 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,891 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:37,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,893 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,893 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:37,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:37,893 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:37,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,909 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,909 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:37,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,909 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,909 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,911 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,911 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:37,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:37,911 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:37,927 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,928 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,928 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:37,928 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,928 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,928 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,930 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,930 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:37,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:37,930 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:37,946 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,946 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,947 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:37,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,947 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,949 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,949 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:37,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:37,949 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:37,965 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,966 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,966 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:37,966 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,966 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,966 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,968 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,969 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,969 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:37,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:37,969 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:37,985 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,985 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,985 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:37,986 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,986 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,986 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,988 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,988 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,988 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:37,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:37,988 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,004 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,004 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,005 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:38,005 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,005 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,005 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,007 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,007 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,007 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:38,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:38,007 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:38,024 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,024 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,024 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:38,024 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,026 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,026 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,027 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:38,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:38,027 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:38,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,043 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,044 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:38,044 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:38,044 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:38,044 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,044 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:38,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,045 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,045 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:38,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:38,046 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:38,062 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,062 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,062 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:38,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:38,062 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,062 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:38,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,064 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,064 - INFO - moving on ...
-2024-12-09 10:29:38,064 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:38,064 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:38,064 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:38,064 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,064 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:38,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,066 - INFO - number of orbitals:  76
-2024-12-09 10:29:38,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,066 - INFO - moving on ...
-2024-12-09 10:29:38,066 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:38,066 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:38,066 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:38,066 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,066 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:38,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,067 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,067 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,067 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:38,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:38,067 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:38,085 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,086 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,086 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:38,086 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:38,086 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:38,086 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,086 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:38,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,088 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,088 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,088 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:38,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:38,088 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:38,108 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,109 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,109 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:38,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:38,109 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,109 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:38,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,111 - INFO - number of orbitals:  74
-2024-12-09 10:29:38,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,112 - INFO - moving on ...
-2024-12-09 10:29:38,112 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:38,112 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:38,112 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:38,112 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,112 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:38,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,114 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,114 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,114 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:38,114 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:38,115 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,137 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,138 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,138 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:38,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:38,139 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,139 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:38,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,141 - INFO - number of orbitals:  90
-2024-12-09 10:29:38,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,141 - INFO - moving on ...
-2024-12-09 10:29:38,141 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:38,142 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:38,142 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:38,142 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,142 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:38,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,144 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,144 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,144 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:38,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:38,145 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:38,166 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,166 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,166 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:38,167 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:38,167 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:38,167 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,167 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:38,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,169 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,169 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,169 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:38,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:38,169 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:38,191 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,191 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,191 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:38,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:38,191 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,191 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:38,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,193 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,193 - INFO - moving on ...
-2024-12-09 10:29:38,193 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:38,194 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:38,194 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:38,194 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,194 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:38,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,195 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,195 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,195 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:38,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:38,195 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:38,212 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,213 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,213 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:38,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:38,213 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,213 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:38,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,214 - INFO - number of orbitals:  106
-2024-12-09 10:29:38,215 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,215 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,215 - INFO - moving on ...
-2024-12-09 10:29:38,215 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:38,215 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:38,215 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:38,215 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,215 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:38,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,216 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,216 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:38,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:38,216 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:38,233 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,234 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,234 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:38,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:38,234 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,234 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:38,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,236 - INFO - number of orbitals:  118
-2024-12-09 10:29:38,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,236 - INFO - moving on ...
-2024-12-09 10:29:38,236 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:38,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,237 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,237 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:38,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:38,237 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:38,254 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,254 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,255 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:38,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:38,255 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,255 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:38,255 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:38,255 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:38,255 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,255 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:38,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,257 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,257 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,257 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:38,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:38,257 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:38,275 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,275 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,275 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:38,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:38,275 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,275 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:38,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,277 - INFO - number of orbitals:  114
-2024-12-09 10:29:38,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,277 - INFO - moving on ...
-2024-12-09 10:29:38,277 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:38,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,279 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,279 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,279 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:38,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:38,279 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:38,296 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,296 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,296 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:38,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:38,296 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,296 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:38,297 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:38,297 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:38,297 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,297 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:38,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,298 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,298 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:38,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:38,298 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:38,315 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,316 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,316 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:38,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:38,316 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,316 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:38,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,317 - INFO - number of orbitals:  115
-2024-12-09 10:29:38,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,318 - INFO - moving on ...
-2024-12-09 10:29:38,318 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:38,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,319 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,319 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,319 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:38,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:38,319 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:38,336 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,336 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,336 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:38,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:38,337 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,337 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:38,337 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:38,337 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:38,337 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,337 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:38,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,338 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,338 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,338 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:38,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:38,339 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:38,355 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,356 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,356 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:38,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:38,356 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,356 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:38,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,358 - INFO - number of orbitals:  78
-2024-12-09 10:29:38,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,358 - INFO - moving on ...
-2024-12-09 10:29:38,358 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:38,358 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:38,358 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:38,358 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,358 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:38,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,359 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,359 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,359 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:38,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:38,360 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:38,376 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,377 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,377 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:38,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:38,377 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,377 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:38,377 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:38,377 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:38,377 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,377 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:38,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,379 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,379 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,379 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:38,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:38,379 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:38,395 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,396 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,396 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:38,396 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:38,396 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:38,396 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,396 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:38,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,397 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,398 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,398 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:38,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:38,398 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:38,414 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,414 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,414 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:38,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:38,414 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,414 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:38,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,416 - INFO - number of orbitals:  86
-2024-12-09 10:29:38,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,416 - INFO - moving on ...
-2024-12-09 10:29:38,416 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:38,416 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:38,416 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:38,416 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,416 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:38,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,418 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,418 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,418 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:38,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:38,418 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:38,433 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,434 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,434 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:38,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:38,434 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,434 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:38,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,436 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,436 - INFO - moving on ...
-2024-12-09 10:29:38,436 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:38,436 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:38,436 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:38,436 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,436 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:38,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,437 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,437 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,437 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:38,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:38,438 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:38,454 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,454 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,454 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:38,454 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:38,454 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:38,454 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,454 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:38,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,456 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,456 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,456 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:38,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:38,456 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:38,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,472 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,472 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:38,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:38,472 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,472 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:38,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,474 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,474 - INFO - moving on ...
-2024-12-09 10:29:38,474 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:38,474 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:38,474 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:38,474 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,474 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:38,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,476 - INFO - number of orbitals:  76
-2024-12-09 10:29:38,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,476 - INFO - moving on ...
-2024-12-09 10:29:38,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:38,476 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:38,476 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:38,476 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,476 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:38,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,477 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,477 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,477 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:38,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:38,477 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:38,494 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,494 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,494 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:38,495 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:38,495 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:38,495 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,495 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:38,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,496 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,496 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,496 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:38,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:38,496 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,512 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,513 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,513 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:38,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:38,513 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,513 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:38,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,514 - INFO - number of orbitals:  116
-2024-12-09 10:29:38,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,515 - INFO - moving on ...
-2024-12-09 10:29:38,515 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:38,515 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:38,515 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:38,515 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,515 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:38,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,516 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,516 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,516 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:38,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:38,516 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:38,532 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,533 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,533 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:38,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:38,533 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,533 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:38,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,534 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,535 - INFO - moving on ...
-2024-12-09 10:29:38,535 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:38,535 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:38,535 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:38,535 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,535 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:38,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,536 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,536 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,536 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:38,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:38,536 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:38,552 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,552 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,552 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:38,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:38,553 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,553 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:38,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,554 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,554 - INFO - moving on ...
-2024-12-09 10:29:38,554 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:38,554 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:38,554 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:38,554 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,554 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:38,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,556 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,556 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,556 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:38,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:38,556 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:38,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,572 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,572 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:38,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:38,572 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,572 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:38,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,573 - INFO - number of orbitals:  110
-2024-12-09 10:29:38,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,574 - INFO - moving on ...
-2024-12-09 10:29:38,574 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:38,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,575 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,575 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,575 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:38,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:38,575 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:38,591 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,592 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,592 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:38,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:38,592 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,592 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:38,592 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:38,592 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:38,592 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,592 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:38,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,594 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,594 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,594 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:38,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:38,594 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:38,610 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,611 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,611 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:38,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:38,611 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,611 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:38,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,612 - INFO - number of orbitals:  135
-2024-12-09 10:29:38,612 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,612 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,613 - INFO - moving on ...
-2024-12-09 10:29:38,613 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:38,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,614 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,614 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,614 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,614 - INFO - moving on ...
-2024-12-09 10:29:38,614 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:38,614 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:38,614 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:38,614 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,614 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:38,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,615 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,616 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,616 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:38,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:38,616 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:38,632 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,632 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,632 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:38,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:38,632 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,632 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:38,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,634 - INFO - number of orbitals:  119
-2024-12-09 10:29:38,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,634 - INFO - moving on ...
-2024-12-09 10:29:38,634 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:38,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,635 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:38,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:38,636 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:38,652 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,652 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,652 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:38,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:38,652 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,652 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:38,652 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:38,653 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:38,653 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,653 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:38,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,654 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,654 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,654 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:38,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:38,655 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:38,672 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,672 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,672 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:38,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:38,672 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,672 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:38,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,674 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,674 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,674 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:38,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:38,674 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,690 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,691 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,691 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:38,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:38,691 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,691 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:38,691 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:38,691 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:38,691 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,691 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:38,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,693 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,693 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,693 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:38,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:38,693 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:38,709 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,710 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,710 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:38,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:38,710 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,710 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:38,710 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:38,710 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:38,710 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,710 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:38,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,712 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,712 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,712 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:38,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:38,712 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:38,728 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,729 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,729 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:38,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:38,729 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,729 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:38,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,731 - INFO - number of orbitals:  89
-2024-12-09 10:29:38,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,731 - INFO - moving on ...
-2024-12-09 10:29:38,731 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:38,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,733 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,733 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,733 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:38,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:38,733 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:38,750 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,751 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,751 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:38,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:38,751 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,751 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:38,751 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:38,751 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:38,751 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,751 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:38,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,753 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,753 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:38,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:38,753 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:38,769 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,770 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,770 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:38,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:38,770 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,770 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:38,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,772 - INFO - number of orbitals:  94
-2024-12-09 10:29:38,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,772 - INFO - moving on ...
-2024-12-09 10:29:38,772 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:38,772 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:38,772 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:38,772 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,772 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:38,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,774 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,774 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,774 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:38,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:38,774 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:38,792 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,792 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,792 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:38,792 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:38,792 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:38,792 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,792 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:38,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,794 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,794 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,794 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:38,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:38,794 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:38,811 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,811 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,811 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:38,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:38,811 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,811 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:38,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,813 - INFO - number of orbitals:  79
-2024-12-09 10:29:38,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,813 - INFO - moving on ...
-2024-12-09 10:29:38,813 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:38,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,814 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,814 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,814 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:38,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:38,814 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:38,831 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,831 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,831 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:38,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:38,831 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,831 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:38,832 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:38,832 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:38,832 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,832 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:38,832 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,832 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,832 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,834 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,834 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,834 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:38,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:38,834 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:38,850 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,851 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,851 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:38,851 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,853 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,854 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,854 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:38,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:38,854 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:38,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,872 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,872 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:38,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,875 - INFO - number of orbitals:  90
-2024-12-09 10:29:38,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,875 - INFO - moving on ...
-2024-12-09 10:29:38,875 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:38,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,875 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,875 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,877 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,877 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,877 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:38,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:38,877 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:38,894 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,894 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,894 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:38,894 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,894 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,894 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,896 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,896 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,896 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:38,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:38,896 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:38,913 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,914 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,914 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:38,914 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,914 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,914 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,916 - INFO - number of orbitals:  90
-2024-12-09 10:29:38,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,916 - INFO - moving on ...
-2024-12-09 10:29:38,916 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:38,916 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:38,916 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:38,916 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,916 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:38,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,917 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,918 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,918 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:38,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:38,918 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:38,934 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,934 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,934 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:38,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:38,934 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,934 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:38,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,936 - INFO - number of orbitals:  115
-2024-12-09 10:29:38,936 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,936 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,936 - INFO - moving on ...
-2024-12-09 10:29:38,936 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:38,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,937 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,938 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,938 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:38,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:38,938 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:38,954 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,954 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,954 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:38,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:38,954 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,954 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:38,955 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:38,955 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:38,955 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,955 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:38,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,956 - INFO - number of orbitals:  76
-2024-12-09 10:29:38,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,956 - INFO - moving on ...
-2024-12-09 10:29:38,956 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:38,956 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:38,956 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:38,956 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,956 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:38,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,958 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,958 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:38,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:38,958 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:38,974 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,975 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,975 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:38,975 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:38,975 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:38,975 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,975 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:38,975 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,975 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,975 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,977 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,977 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,977 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:38,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:38,978 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,994 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,995 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,995 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:38,995 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,995 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,995 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,997 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,997 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,997 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:38,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:38,997 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:39,014 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,015 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,015 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:39,015 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,015 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,015 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,017 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,017 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,017 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:39,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:39,017 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,034 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,035 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,035 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:39,035 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,035 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,035 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,037 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,037 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,037 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:39,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:39,037 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:39,054 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,054 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,055 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:39,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,055 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,055 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,057 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,057 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,057 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:39,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:39,057 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:39,075 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,075 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,076 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:39,076 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,076 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,076 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,078 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,078 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,078 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:39,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:39,078 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,095 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,095 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:39,095 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:39,096 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:39,096 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,096 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:39,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,098 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:39,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:39,098 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,114 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,115 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,115 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:39,115 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,115 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,115 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,117 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,117 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,117 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:39,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:39,117 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:39,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,136 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,136 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:39,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,138 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,138 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,138 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:39,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:39,138 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:39,156 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,156 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,156 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:39,157 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:39,157 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:39,157 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,157 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:39,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,158 - INFO - number of orbitals:  76
-2024-12-09 10:29:39,158 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:39,158 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,158 - INFO - moving on ...
-2024-12-09 10:29:39,158 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:39,159 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:39,159 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:39,159 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,159 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:39,159 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,159 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,159 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,161 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,161 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:39,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:39,161 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:39,178 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,179 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,179 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:39,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,181 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,181 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:39,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:39,181 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:39,206 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,207 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,207 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:39,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,207 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,207 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,209 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,209 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,209 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:39,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:39,209 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:39,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,226 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,226 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:39,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,228 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,228 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,228 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:39,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:39,228 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,245 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,245 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,245 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:39,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,245 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,245 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,247 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,247 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,247 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:39,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:39,247 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:39,263 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,264 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,264 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:39,264 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,264 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,264 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,266 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,266 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:39,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:39,266 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:39,283 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,283 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,283 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:39,283 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,283 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,285 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,285 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,285 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:39,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:39,285 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:39,302 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,302 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,302 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:39,302 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,302 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,302 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,304 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,304 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,304 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:39,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:39,304 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:39,321 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,321 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,321 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:39,321 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,322 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,322 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,323 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,323 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,323 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:39,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:39,324 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:39,339 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,340 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,340 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:39,340 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,340 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,340 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,342 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,342 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,342 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:39,342 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:39,342 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:39,358 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,359 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,359 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:39,359 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,359 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,359 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,361 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,361 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,361 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:39,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:39,361 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:39,378 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,378 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,378 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:39,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,380 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,380 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,380 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:39,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:39,381 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,397 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,397 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,397 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:39,397 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,397 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,397 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,399 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,400 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,400 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:39,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:39,400 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:39,416 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,417 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,417 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:39,417 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,417 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,417 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,419 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,419 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,419 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:39,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:39,419 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:39,435 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,436 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,436 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:39,436 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,436 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,436 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,438 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,438 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,438 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:39,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:39,438 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:39,454 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,454 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,454 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:39,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,455 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,455 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,457 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,457 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,457 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:39,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:39,457 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:39,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,473 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,473 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:39,473 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:39,473 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:39,473 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,473 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:39,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,475 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,475 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,475 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:39,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:39,475 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:39,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,491 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,492 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:39,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:39,492 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,492 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:39,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,493 - INFO - number of orbitals:  90
-2024-12-09 10:29:39,493 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:39,493 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,493 - INFO - moving on ...
-2024-12-09 10:29:39,493 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:39,494 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:39,494 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:39,494 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,494 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:39,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,495 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,495 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,495 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:39,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:39,495 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:39,512 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,512 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,512 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:39,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:39,512 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,512 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:39,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,514 - INFO - number of orbitals:  118
-2024-12-09 10:29:39,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,514 - INFO - moving on ...
-2024-12-09 10:29:39,514 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:39,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,516 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,516 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,516 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:39,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:39,516 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,532 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,533 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,533 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:39,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:39,533 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,533 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:39,533 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:39,533 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:39,533 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,533 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:39,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,535 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:39,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:39,535 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:39,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,551 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,551 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:39,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:39,551 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,551 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:39,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,553 - INFO - number of orbitals:  88
-2024-12-09 10:29:39,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,553 - INFO - moving on ...
-2024-12-09 10:29:39,553 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:39,553 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:39,553 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:39,553 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,553 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:39,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,554 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,554 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,554 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:39,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:39,554 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,571 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,572 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:39,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:39,572 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,572 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:39,572 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:39,572 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:39,572 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,572 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:39,572 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,572 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,572 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,575 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,575 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,575 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:39,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:39,575 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:39,591 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,592 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,592 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:39,592 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,592 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,592 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,594 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,594 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,594 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:39,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:39,594 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:39,611 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,612 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,612 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:39,612 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,612 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,612 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,614 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,614 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,614 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:39,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:39,614 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,631 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,632 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,632 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:39,632 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,634 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,634 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,634 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:39,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:39,634 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,652 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,652 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,652 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:39,652 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,652 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,653 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,655 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,655 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,655 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:39,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:39,655 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:39,678 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,679 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,679 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:39,679 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,682 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,682 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,682 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:39,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:39,682 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:39,703 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,703 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,703 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:39,703 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,703 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,703 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,706 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,706 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:39,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:39,706 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:39,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,726 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,726 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:39,726 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,726 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,729 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,729 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:39,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:39,729 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:39,750 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,751 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,751 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:39,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,754 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,754 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,754 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:39,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:39,755 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:39,778 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,779 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,779 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:39,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,782 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,783 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,783 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:39,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:39,783 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:39,807 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,807 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,807 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:39,808 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,808 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,808 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,811 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,811 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,811 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:39,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:39,811 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,835 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,836 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,836 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:39,836 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,836 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,836 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,839 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,839 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,840 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:39,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:39,840 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:39,863 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,863 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,863 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:39,864 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:39,864 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:39,864 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,864 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:39,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,867 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,867 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,867 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:39,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:39,867 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:39,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,891 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,891 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:39,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,894 - INFO - number of orbitals:  108
-2024-12-09 10:29:39,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,894 - INFO - moving on ...
-2024-12-09 10:29:39,894 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:39,894 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:39,894 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:39,894 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,894 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:39,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,896 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,896 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,896 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:39,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:39,896 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:39,921 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,921 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,921 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:39,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:39,922 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,922 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:39,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,924 - INFO - number of orbitals:  135
-2024-12-09 10:29:39,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,924 - INFO - moving on ...
-2024-12-09 10:29:39,924 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:39,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,926 - INFO - number of orbitals:  88
-2024-12-09 10:29:39,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,926 - INFO - moving on ...
-2024-12-09 10:29:39,926 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:39,926 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:39,926 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:39,926 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,926 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:39,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,928 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,928 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,928 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:39,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:39,928 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:39,953 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,953 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,953 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:39,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:39,954 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,954 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:39,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,956 - INFO - number of orbitals:  88
-2024-12-09 10:29:39,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,956 - INFO - moving on ...
-2024-12-09 10:29:39,956 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:39,956 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:39,956 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:39,956 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,956 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:39,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,958 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,958 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:39,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:39,959 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,982 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,982 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:39,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:39,983 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,983 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:39,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,985 - INFO - number of orbitals:  88
-2024-12-09 10:29:39,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,985 - INFO - moving on ...
-2024-12-09 10:29:39,985 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:39,985 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:39,985 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:39,986 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,986 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:39,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,988 - INFO - number of orbitals:  76
-2024-12-09 10:29:39,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,988 - INFO - moving on ...
-2024-12-09 10:29:39,988 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:39,988 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:39,988 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:39,988 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,988 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:39,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,990 - INFO - number of orbitals:  76
-2024-12-09 10:29:39,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,990 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,990 - INFO - moving on ...
-2024-12-09 10:29:39,990 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:39,991 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:39,991 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:39,991 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,991 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:39,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,992 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,992 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,992 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:39,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:39,993 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:40,011 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,011 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,011 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:40,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:40,011 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,011 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:40,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,013 - INFO - number of orbitals:  118
-2024-12-09 10:29:40,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,013 - INFO - moving on ...
-2024-12-09 10:29:40,013 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:40,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,015 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,015 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,015 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:40,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:40,015 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:40,035 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,036 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,036 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:40,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:40,036 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,036 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:40,036 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:40,036 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:40,036 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,036 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:40,036 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,037 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,037 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,039 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,039 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,039 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:40,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:40,039 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:40,057 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,057 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,057 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:40,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,057 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,060 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,060 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:40,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:40,060 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:40,077 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,078 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,078 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:40,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,078 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,080 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,080 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,080 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:40,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:40,081 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:40,098 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,099 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,099 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:40,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,101 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,101 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:40,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:40,101 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:40,118 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,119 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,119 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:40,119 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,119 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,119 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,121 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,121 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,121 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:40,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:40,121 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:40,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,139 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,139 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:40,140 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,140 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,140 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,142 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,142 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,142 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:40,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:40,142 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:40,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,159 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,159 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:40,159 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,162 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,162 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:40,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:40,162 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:40,178 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,179 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,179 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:40,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,181 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,181 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:40,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:40,181 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:40,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,199 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,199 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:40,199 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:40,199 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:40,199 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,199 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:40,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,201 - INFO - number of orbitals:  76
-2024-12-09 10:29:40,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,201 - INFO - moving on ...
-2024-12-09 10:29:40,201 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:40,201 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:40,201 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:40,201 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,201 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:40,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,202 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,203 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,203 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:40,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:40,203 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:40,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,220 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,220 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:40,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:40,220 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,220 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:40,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,222 - INFO - number of orbitals:  76
-2024-12-09 10:29:40,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,222 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,222 - INFO - moving on ...
-2024-12-09 10:29:40,222 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:40,222 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:40,222 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:40,222 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,222 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:40,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,224 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,224 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,224 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:40,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:40,224 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:40,241 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,241 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,241 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:40,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:40,241 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,241 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:40,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,243 - INFO - number of orbitals:  119
-2024-12-09 10:29:40,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,243 - INFO - moving on ...
-2024-12-09 10:29:40,243 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:40,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,245 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,245 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,245 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:40,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:40,245 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:40,262 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,263 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,263 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:40,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:40,263 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,263 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:40,263 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:40,263 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:40,263 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,263 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:40,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,265 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,265 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,265 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:40,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:40,265 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:40,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,282 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,283 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:40,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:40,283 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,283 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:40,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,284 - INFO - number of orbitals:  135
-2024-12-09 10:29:40,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,284 - INFO - moving on ...
-2024-12-09 10:29:40,284 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:40,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,286 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,286 - INFO - moving on ...
-2024-12-09 10:29:40,286 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:40,286 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:40,286 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:40,286 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,286 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:40,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,288 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,288 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,288 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:40,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:40,288 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:40,306 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,307 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,307 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:40,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:40,307 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,307 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:40,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,309 - INFO - number of orbitals:  118
-2024-12-09 10:29:40,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,309 - INFO - moving on ...
-2024-12-09 10:29:40,309 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:40,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,311 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,311 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:40,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:40,311 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:40,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,334 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,334 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:40,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:40,334 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,334 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:40,334 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:40,334 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:40,335 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,335 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:40,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,336 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,337 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:40,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:40,337 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:40,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,354 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,354 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:40,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:40,354 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,354 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:40,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,355 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,356 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,356 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,356 - INFO - moving on ...
-2024-12-09 10:29:40,356 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:40,356 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:40,356 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:40,356 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,356 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:40,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,357 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,357 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,357 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:40,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:40,357 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:40,374 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,374 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,375 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:40,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:40,375 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,375 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:40,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,377 - INFO - number of orbitals:  110
-2024-12-09 10:29:40,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,377 - INFO - moving on ...
-2024-12-09 10:29:40,377 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:40,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,379 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,379 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,379 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:40,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:40,379 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:40,399 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,400 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,400 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:40,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:40,400 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,400 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:40,400 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:40,400 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:40,400 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,400 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:40,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,402 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,402 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,402 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:40,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:40,402 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:40,419 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,419 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,419 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:40,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:40,419 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,419 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:40,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,421 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,421 - INFO - moving on ...
-2024-12-09 10:29:40,421 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:40,422 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:40,422 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:40,422 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,422 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:40,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,423 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,423 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,423 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:40,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:40,423 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:40,441 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,442 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,442 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:40,442 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:40,442 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:40,442 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,442 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:40,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,444 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,444 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,444 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:40,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:40,444 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:40,461 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,461 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,461 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:40,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:40,461 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,461 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:40,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,463 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,463 - INFO - moving on ...
-2024-12-09 10:29:40,463 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:40,463 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:40,463 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:40,463 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,463 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:40,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,465 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,465 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,465 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:40,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:40,465 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:40,481 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,482 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,482 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:40,482 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:40,482 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:40,482 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,482 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:40,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,485 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,485 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:40,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:40,485 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:40,502 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,502 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,502 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:40,502 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,502 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,502 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,504 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,504 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,505 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:40,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:40,505 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:40,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,522 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,522 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:40,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,524 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,524 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,524 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:40,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:40,524 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:40,541 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,541 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,541 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:40,541 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,542 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,542 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,543 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,544 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,544 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:40,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:40,544 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:40,560 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,560 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,560 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:40,561 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:40,561 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:40,561 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,561 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:40,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,562 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,562 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:40,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:40,562 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:40,579 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,579 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,579 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:40,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:40,579 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,579 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:40,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,581 - INFO - number of orbitals:  85
-2024-12-09 10:29:40,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,581 - INFO - moving on ...
-2024-12-09 10:29:40,581 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:40,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,582 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,582 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:40,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:40,582 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:40,601 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,601 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,602 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:40,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:40,602 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,602 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:40,602 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:40,602 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:40,602 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,602 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:40,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,604 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,604 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:40,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:40,604 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:40,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,627 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,627 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:40,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:40,627 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,627 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:40,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,629 - INFO - number of orbitals:  110
-2024-12-09 10:29:40,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,629 - INFO - moving on ...
-2024-12-09 10:29:40,629 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:40,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,631 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,631 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,631 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:40,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:40,631 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:40,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,650 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,650 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:40,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:40,650 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,650 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:40,650 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:40,650 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:40,650 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,650 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:40,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,652 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,652 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,652 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:40,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:40,652 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:40,671 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,671 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,671 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:40,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:40,671 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,672 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:40,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,673 - INFO - number of orbitals:  85
-2024-12-09 10:29:40,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,674 - INFO - moving on ...
-2024-12-09 10:29:40,674 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:40,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,675 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,675 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,676 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:40,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:40,676 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:40,693 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,693 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,693 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:40,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:40,694 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,694 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:40,694 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:40,694 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:40,694 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,694 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:40,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,696 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,696 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,696 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:40,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:40,696 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:40,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,713 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,713 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:40,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:40,713 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,713 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:40,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,715 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,715 - INFO - moving on ...
-2024-12-09 10:29:40,715 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:40,715 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:40,715 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:40,715 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,715 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:40,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,717 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,717 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,717 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:40,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:40,717 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:40,733 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,734 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,734 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:40,734 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:40,734 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:40,734 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,734 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:40,734 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,734 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,736 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,736 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,737 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:40,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:40,737 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:40,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,754 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,754 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:40,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,756 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,756 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:40,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:40,757 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:40,774 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,775 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,775 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:40,775 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,777 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,777 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:40,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:40,777 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:40,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,795 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,795 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:40,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,797 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,797 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:40,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:40,797 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:40,814 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,814 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,814 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:40,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,816 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,816 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:40,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:40,816 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:40,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,833 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,834 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:40,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,836 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,836 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:40,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:40,836 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:40,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,853 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,853 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:40,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,855 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,855 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:40,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:40,855 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:40,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,872 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,872 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:40,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,874 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:40,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:40,875 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:40,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,892 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,892 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:40,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,894 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,894 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:40,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:40,894 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:40,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,911 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,911 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:40,911 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:40,911 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:40,911 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,911 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:40,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,913 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,913 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:40,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:40,913 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:40,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,930 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,930 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:40,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:40,930 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,930 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:40,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,932 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,932 - INFO - moving on ...
-2024-12-09 10:29:40,932 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:40,932 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:40,932 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:40,932 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,932 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:40,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,933 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,933 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,933 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:40,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:40,934 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:40,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,950 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,950 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:40,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:40,951 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,951 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:40,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,952 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,952 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:40,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:40,952 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:40,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,969 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,969 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:40,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:40,969 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,969 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:40,969 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:40,969 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:40,969 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,969 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:40,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,971 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,971 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,971 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:40,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:40,971 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:40,987 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,987 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,988 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:40,988 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:40,988 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:40,988 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,988 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:40,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,989 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,990 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:40,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:40,990 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:41,007 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,008 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,008 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:41,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:41,008 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,008 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:41,008 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:41,008 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:41,009 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,009 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:41,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,010 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,010 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,010 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:41,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:41,010 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:41,027 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,027 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,027 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:41,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:41,028 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,028 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:41,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,029 - INFO - number of orbitals:  116
-2024-12-09 10:29:41,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,029 - INFO - moving on ...
-2024-12-09 10:29:41,029 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:41,029 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:41,029 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:41,029 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,029 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:41,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,031 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,031 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:41,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:41,031 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:41,047 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,048 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,048 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:41,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:41,048 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,048 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:41,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,050 - INFO - number of orbitals:  79
-2024-12-09 10:29:41,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,050 - INFO - moving on ...
-2024-12-09 10:29:41,050 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:41,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,051 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,051 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,051 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:41,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:41,051 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:41,067 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,068 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,068 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:41,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:41,068 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,068 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:41,068 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:41,068 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:41,068 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,068 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:41,068 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,068 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,069 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,070 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,071 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,071 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:41,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:41,071 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:41,087 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,088 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,088 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:41,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,090 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,090 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:41,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:41,090 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:41,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,107 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,107 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:41,107 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,107 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,107 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,109 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,109 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,109 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:41,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:41,109 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:41,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,126 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,126 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:41,126 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,129 - INFO - number of orbitals:  76
-2024-12-09 10:29:41,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,129 - INFO - moving on ...
-2024-12-09 10:29:41,129 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:41,129 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,129 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,129 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,131 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,131 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,131 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:41,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:41,131 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:41,147 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,148 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,148 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:41,148 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,148 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,148 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,150 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,150 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,150 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:41,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:41,150 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:41,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,168 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,168 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:41,168 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,168 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,168 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,171 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,171 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:41,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:41,171 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:41,188 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,188 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,188 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:41,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,190 - INFO - number of orbitals:  76
-2024-12-09 10:29:41,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,191 - INFO - moving on ...
-2024-12-09 10:29:41,191 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:41,191 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,191 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,191 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,193 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,193 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,193 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:41,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:41,193 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:41,209 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,209 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,210 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:41,210 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,210 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,210 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,212 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,212 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,212 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:41,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:41,212 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:41,229 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,229 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,229 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:41,229 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,229 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,229 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,231 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,231 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,232 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:41,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:41,232 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:41,248 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,248 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,248 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:41,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,251 - INFO - number of orbitals:  76
-2024-12-09 10:29:41,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,251 - INFO - moving on ...
-2024-12-09 10:29:41,251 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:41,251 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:41,251 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:41,251 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,251 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:41,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,252 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,252 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,252 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:41,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:41,253 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:41,269 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,270 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,270 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:41,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:41,270 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,270 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:41,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,271 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,271 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,272 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:41,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:41,272 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:41,288 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,289 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,289 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:41,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:41,289 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,289 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:41,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,291 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,291 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,291 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:41,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:41,291 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:41,307 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,308 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,308 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:41,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:41,308 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,308 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:41,308 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:41,308 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:41,308 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,308 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:41,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,310 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,310 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,310 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:41,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:41,310 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:41,326 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,327 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,327 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:41,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:41,327 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,327 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:41,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,329 - INFO - number of orbitals:  110
-2024-12-09 10:29:41,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,329 - INFO - moving on ...
-2024-12-09 10:29:41,329 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:41,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,330 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,330 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,330 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:41,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:41,330 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:41,346 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,347 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,347 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:41,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:41,347 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,347 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:41,347 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:41,347 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:41,347 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,347 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:41,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,349 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,349 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,349 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:41,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:41,349 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:41,365 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,366 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,366 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:41,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:41,366 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,366 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:41,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,368 - INFO - number of orbitals:  110
-2024-12-09 10:29:41,368 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,368 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,368 - INFO - moving on ...
-2024-12-09 10:29:41,368 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:41,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,369 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,369 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:41,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:41,369 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:41,386 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,386 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,386 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:41,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:41,387 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,387 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:41,387 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:41,387 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:41,387 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,387 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:41,387 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,387 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,387 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,389 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,389 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,389 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:41,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:41,390 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:41,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,407 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,407 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:41,407 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,407 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,407 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,409 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,409 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:41,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:41,409 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:41,426 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,427 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,427 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:41,427 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,427 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,427 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,429 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,429 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,429 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:41,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:41,429 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:41,446 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,446 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,446 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:41,446 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,446 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,448 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,448 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,449 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:41,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:41,449 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:41,465 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,466 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,466 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:41,466 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,466 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,466 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,468 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,468 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,468 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:41,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:41,468 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:41,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,485 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,485 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:41,485 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,485 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,485 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,487 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,487 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,487 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:41,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:41,487 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:41,504 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,504 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,504 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:41,504 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,504 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,507 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,507 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:41,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:41,507 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:41,524 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,524 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,525 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:41,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,525 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,525 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,527 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,527 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,527 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:41,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:41,527 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:41,544 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,544 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,544 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:41,544 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,547 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,547 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:41,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:41,547 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:41,563 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,563 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,563 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:41,564 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:41,564 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:41,564 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,564 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:41,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,565 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,565 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:41,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:41,565 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:41,582 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,582 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,582 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:41,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:41,582 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,582 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:41,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,584 - INFO - number of orbitals:  88
-2024-12-09 10:29:41,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,584 - INFO - moving on ...
-2024-12-09 10:29:41,584 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:41,584 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:41,584 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:41,584 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,584 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:41,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,585 - INFO - number of orbitals:  76
-2024-12-09 10:29:41,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,586 - INFO - moving on ...
-2024-12-09 10:29:41,586 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:41,586 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:41,586 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:41,586 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,586 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:41,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,587 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,587 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,587 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:41,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:41,587 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:41,603 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,604 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,604 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:41,604 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:41,604 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:41,604 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,604 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:41,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,606 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,606 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,606 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:41,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:41,606 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:41,622 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,623 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,623 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:41,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:41,623 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,623 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:41,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,624 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,624 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,624 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:41,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:41,625 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:41,643 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,644 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,644 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:41,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:41,644 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,644 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:41,644 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:41,644 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:41,644 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,644 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:41,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,647 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,647 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,647 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:41,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:41,647 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:41,669 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,670 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,670 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:41,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:41,670 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,670 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:41,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,672 - INFO - number of orbitals:  90
-2024-12-09 10:29:41,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,672 - INFO - moving on ...
-2024-12-09 10:29:41,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:41,673 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:41,673 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:41,673 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,673 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:41,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,675 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,675 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,675 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:41,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:41,675 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:41,699 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,699 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,700 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:41,700 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:41,700 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:41,700 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,700 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:41,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,702 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,702 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,702 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:41,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:41,702 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:41,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,726 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,727 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:41,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:41,727 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,727 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:41,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,729 - INFO - number of orbitals:  88
-2024-12-09 10:29:41,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,729 - INFO - moving on ...
-2024-12-09 10:29:41,729 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:41,730 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:41,730 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:41,730 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,730 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:41,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,731 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,731 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,731 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:41,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:41,731 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:41,747 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,748 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,748 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:41,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:41,748 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,748 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:41,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,750 - INFO - number of orbitals:  106
-2024-12-09 10:29:41,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,750 - INFO - moving on ...
-2024-12-09 10:29:41,750 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:41,750 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:41,750 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:41,750 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,750 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:41,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,751 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,751 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,751 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:41,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:41,751 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:41,768 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,769 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,769 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:41,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:41,769 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,769 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:41,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,770 - INFO - number of orbitals:  118
-2024-12-09 10:29:41,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,770 - INFO - moving on ...
-2024-12-09 10:29:41,770 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:41,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,772 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,772 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,772 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:41,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:41,772 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:41,788 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,789 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,789 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:41,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:41,789 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,789 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:41,789 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:41,789 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:41,789 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,789 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:41,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,791 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,791 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,791 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:41,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:41,791 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:41,807 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,808 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,808 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:41,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:41,808 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,808 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:41,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,810 - INFO - number of orbitals:  114
-2024-12-09 10:29:41,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,810 - INFO - moving on ...
-2024-12-09 10:29:41,810 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:41,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,811 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,811 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,811 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:41,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:41,811 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:41,827 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,827 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,827 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:41,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:41,827 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,827 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:41,828 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:41,828 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:41,828 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,828 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:41,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,829 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,829 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,829 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:41,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:41,829 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:41,845 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,846 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,846 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:41,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:41,846 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,846 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:41,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,847 - INFO - number of orbitals:  115
-2024-12-09 10:29:41,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,847 - INFO - moving on ...
-2024-12-09 10:29:41,847 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:41,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,849 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,849 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,849 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:41,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:41,849 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:41,865 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,866 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,866 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:41,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:41,866 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,866 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:41,866 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:41,866 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:41,866 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,866 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:41,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,868 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,868 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:41,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:41,868 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:41,884 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,884 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,884 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:41,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:41,884 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,884 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:41,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,886 - INFO - number of orbitals:  78
-2024-12-09 10:29:41,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,886 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,886 - INFO - moving on ...
-2024-12-09 10:29:41,886 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:41,886 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:41,886 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:41,886 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,886 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:41,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,888 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,888 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,888 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:41,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:41,888 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:41,904 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,905 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,905 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:41,905 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:41,905 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,905 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:41,905 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:41,905 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:41,905 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,905 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:41,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,907 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,907 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,907 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:41,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:41,907 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:41,923 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,923 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,923 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:41,923 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:41,923 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:41,923 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,923 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:41,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,925 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,925 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,925 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:41,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:41,925 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:41,942 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,942 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,942 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:41,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:41,942 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,942 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:41,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,944 - INFO - number of orbitals:  86
-2024-12-09 10:29:41,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,944 - INFO - moving on ...
-2024-12-09 10:29:41,944 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:41,944 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:41,944 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:41,944 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,944 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:41,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,946 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,946 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:41,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:41,946 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:41,962 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,962 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,962 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:41,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:41,963 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,963 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:41,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,964 - INFO - number of orbitals:  88
-2024-12-09 10:29:41,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,964 - INFO - moving on ...
-2024-12-09 10:29:41,964 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:41,965 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:41,965 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:41,965 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,965 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:41,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,966 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,966 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:41,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:41,966 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:41,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,983 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,983 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:41,983 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:41,983 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:41,983 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,983 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:41,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,984 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,984 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:41,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:41,985 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:42,000 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,001 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,001 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:42,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:42,001 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,001 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:42,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,002 - INFO - number of orbitals:  88
-2024-12-09 10:29:42,002 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,003 - INFO - moving on ...
-2024-12-09 10:29:42,003 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:42,003 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:42,003 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:42,003 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,003 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:42,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,004 - INFO - number of orbitals:  76
-2024-12-09 10:29:42,004 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,004 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,004 - INFO - moving on ...
-2024-12-09 10:29:42,005 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:42,005 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:42,005 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:42,005 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,005 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:42,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,006 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,006 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,006 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:42,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:42,006 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:42,022 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,022 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,022 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:42,022 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:42,022 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:42,022 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,022 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:42,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,024 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,024 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,024 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:42,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:42,024 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:42,039 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,040 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,040 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:42,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:42,040 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,040 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:42,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,041 - INFO - number of orbitals:  116
-2024-12-09 10:29:42,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,041 - INFO - moving on ...
-2024-12-09 10:29:42,041 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:42,041 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:42,042 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:42,042 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,042 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:42,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,043 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,043 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,043 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:42,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:42,043 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:42,059 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,059 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,059 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:42,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:42,059 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,059 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:42,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,060 - INFO - number of orbitals:  88
-2024-12-09 10:29:42,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,061 - INFO - moving on ...
-2024-12-09 10:29:42,061 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:42,061 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:42,061 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:42,061 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,061 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:42,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,062 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,062 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,062 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:42,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:42,062 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:42,078 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,078 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,079 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:42,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:42,079 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,079 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:42,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,080 - INFO - number of orbitals:  88
-2024-12-09 10:29:42,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,080 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,080 - INFO - moving on ...
-2024-12-09 10:29:42,080 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:42,080 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:42,080 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:42,080 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,080 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:42,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,082 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,082 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,082 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:42,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:42,082 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:42,098 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,098 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,098 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:42,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:42,098 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,098 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:42,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,099 - INFO - number of orbitals:  110
-2024-12-09 10:29:42,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,100 - INFO - moving on ...
-2024-12-09 10:29:42,100 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:42,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,101 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,101 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:42,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:42,101 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:42,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,117 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,117 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:42,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:42,117 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,117 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:42,117 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:42,117 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:42,118 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,118 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:42,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,119 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,119 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,119 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:42,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:42,119 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:42,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,136 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,136 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:42,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:42,136 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,136 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:42,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,137 - INFO - number of orbitals:  135
-2024-12-09 10:29:42,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,138 - INFO - moving on ...
-2024-12-09 10:29:42,138 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:42,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,139 - INFO - number of orbitals:  88
-2024-12-09 10:29:42,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,139 - INFO - moving on ...
-2024-12-09 10:29:42,139 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:42,140 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:42,140 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:42,140 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,140 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:42,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,141 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,142 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:42,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:42,142 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:42,157 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,157 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,157 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:42,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:42,158 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,158 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:42,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,159 - INFO - number of orbitals:  119
-2024-12-09 10:29:42,159 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,159 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,159 - INFO - moving on ...
-2024-12-09 10:29:42,159 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:42,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,160 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,160 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,160 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:42,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:42,160 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:42,176 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,176 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,176 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:42,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:42,176 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,176 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:42,176 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:42,176 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:42,177 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,177 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:42,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,178 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,178 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,178 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:42,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:42,178 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:42,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,194 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,194 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:42,194 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:42,194 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,194 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:42,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,195 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,195 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,195 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:42,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:42,195 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:42,210 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,211 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,211 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:42,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:42,211 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,211 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:42,211 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:42,211 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:42,211 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,211 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:42,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,212 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,212 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,213 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:42,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:42,213 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:42,229 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,230 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,230 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:42,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:42,230 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,230 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:42,230 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:42,230 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:42,230 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,230 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:42,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,232 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,232 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,232 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:42,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:42,232 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:42,248 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,248 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,249 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:42,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:42,249 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,249 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:42,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,250 - INFO - number of orbitals:  89
-2024-12-09 10:29:42,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,250 - INFO - moving on ...
-2024-12-09 10:29:42,250 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:42,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,251 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,252 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,252 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:42,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:42,252 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:42,268 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,268 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,268 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:42,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:42,268 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,268 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:42,269 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:42,269 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:42,269 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,269 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:42,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,270 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,270 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,270 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:42,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:42,271 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:42,288 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,288 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,288 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:42,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:42,288 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,289 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:42,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,290 - INFO - number of orbitals:  94
-2024-12-09 10:29:42,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,290 - INFO - moving on ...
-2024-12-09 10:29:42,290 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:42,291 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:42,291 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:42,291 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,291 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:42,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,292 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,292 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:42,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:42,292 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:42,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,309 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,309 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:42,309 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:42,309 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:42,309 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,309 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:42,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,311 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,311 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:42,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:42,311 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:42,327 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,327 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,328 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:42,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:42,328 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,328 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:42,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,329 - INFO - number of orbitals:  79
-2024-12-09 10:29:42,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,329 - INFO - moving on ...
-2024-12-09 10:29:42,329 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:42,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,331 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,331 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:42,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:42,331 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:42,347 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,347 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,347 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:42,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:42,347 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,348 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:42,348 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:42,348 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:42,348 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,348 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:42,348 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,348 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,348 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,350 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,350 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,350 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:42,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:42,350 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:42,366 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,367 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,367 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:42,367 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,367 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,367 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,369 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,369 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:42,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:42,369 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:42,385 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,385 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,385 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:42,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,385 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,385 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,387 - INFO - number of orbitals:  90
-2024-12-09 10:29:42,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,388 - INFO - moving on ...
-2024-12-09 10:29:42,388 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:42,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,390 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,390 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:42,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:42,390 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:42,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,407 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,407 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:42,407 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,407 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,407 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,409 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,409 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:42,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:42,409 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:42,424 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,424 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,424 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:42,424 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,426 - INFO - number of orbitals:  90
-2024-12-09 10:29:42,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,426 - INFO - moving on ...
-2024-12-09 10:29:42,426 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:42,427 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:42,427 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:42,427 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,427 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:42,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,428 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,428 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:42,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:42,428 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:42,446 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,447 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,447 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:42,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:42,447 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,447 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:42,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,449 - INFO - number of orbitals:  115
-2024-12-09 10:29:42,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,449 - INFO - moving on ...
-2024-12-09 10:29:42,449 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:42,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,451 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,451 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,451 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:42,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:42,451 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:42,468 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,468 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,469 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:42,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:42,469 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,469 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:42,469 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:42,469 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:42,469 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,469 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:42,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,470 - INFO - number of orbitals:  76
-2024-12-09 10:29:42,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,471 - INFO - moving on ...
-2024-12-09 10:29:42,471 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:42,471 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:42,471 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:42,471 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,471 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:42,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,472 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,472 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,472 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:42,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:42,472 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:42,489 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,490 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,490 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:42,490 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:42,490 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:42,490 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,490 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:42,490 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,490 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,490 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,492 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,492 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,493 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:42,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:42,493 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:42,511 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,511 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,511 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:42,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,513 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,513 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,513 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:42,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:42,513 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:42,530 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,530 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,530 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:42,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,530 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,532 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,532 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,532 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:42,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:42,533 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:42,549 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,549 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,550 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:42,550 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,552 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,552 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,552 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:42,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:42,552 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:42,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,569 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,569 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:42,569 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,569 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,569 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,571 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,571 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,571 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:42,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:42,571 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:42,587 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,587 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,587 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:42,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,588 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,588 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,590 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,590 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:42,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:42,590 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:42,606 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,606 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,606 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:42,607 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:42,607 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:42,607 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,607 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:42,607 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,607 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,607 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,609 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,609 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:42,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:42,609 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:42,624 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,625 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,625 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:42,625 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,625 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,625 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,627 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,627 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,627 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:42,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:42,627 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:42,643 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,644 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,644 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:42,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,644 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,646 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,646 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,646 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:42,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:42,646 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:42,661 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,662 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,662 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:42,662 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:42,662 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:42,662 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,662 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:42,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,663 - INFO - number of orbitals:  76
-2024-12-09 10:29:42,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,664 - INFO - moving on ...
-2024-12-09 10:29:42,664 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:42,664 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:42,664 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:42,664 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,664 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:42,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,666 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,666 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:42,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:42,666 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:42,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,682 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,682 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:42,682 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,682 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,684 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,684 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,685 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:42,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:42,685 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:42,700 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,701 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,701 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:42,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,701 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,701 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,703 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,703 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,703 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:42,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:42,703 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:42,719 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,719 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,719 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:42,719 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,719 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,719 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,721 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,721 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,721 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:42,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:42,721 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:42,738 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,738 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,738 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:42,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,739 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,739 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,740 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,741 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,741 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:42,741 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:42,741 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:42,757 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,757 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,758 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:42,758 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,758 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,758 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,760 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,760 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,760 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:42,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:42,760 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:42,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,777 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,777 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:42,777 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,777 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,777 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,779 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,779 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,779 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:42,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:42,779 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:42,798 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,799 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,799 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:42,799 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,799 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,799 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,801 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,801 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,801 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:42,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:42,802 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:42,825 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,825 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,825 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:42,826 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,828 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,828 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,828 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:42,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:42,829 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:42,845 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,845 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,845 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:42,846 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,846 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,846 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,847 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,848 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,848 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:42,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:42,848 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:42,864 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,864 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,864 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:42,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,866 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,866 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,866 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:42,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:42,866 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:42,882 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,883 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,883 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:42,883 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,883 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,883 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,885 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,885 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,885 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:42,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:42,885 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:42,901 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,902 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,902 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:42,902 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,904 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,904 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,904 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:42,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:42,904 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:42,920 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,920 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,920 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:42,920 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,921 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,921 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,922 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,923 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,923 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:42,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:42,923 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:42,938 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,939 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,939 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:42,939 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,939 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,939 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,941 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,941 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,941 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:42,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:42,941 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:42,956 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,956 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,956 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:42,956 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,956 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,956 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,958 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,958 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:42,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:42,958 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:42,973 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,974 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,974 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:42,974 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:42,974 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:42,974 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,974 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:42,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,975 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,976 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,976 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:42,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:42,976 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:42,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,991 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,991 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:42,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:42,991 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,991 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:42,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,993 - INFO - number of orbitals:  90
-2024-12-09 10:29:42,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,993 - INFO - moving on ...
-2024-12-09 10:29:42,993 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:42,993 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:42,993 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:42,993 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,993 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:42,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,994 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,994 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:42,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:42,995 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:43,010 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,010 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,010 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:43,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:43,010 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,010 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:43,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,012 - INFO - number of orbitals:  118
-2024-12-09 10:29:43,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,012 - INFO - moving on ...
-2024-12-09 10:29:43,012 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:43,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,013 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,013 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:43,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:43,013 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:43,028 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,028 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,028 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:43,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:43,029 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,029 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:43,029 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:43,029 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:43,029 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,029 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:43,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,030 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,030 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,030 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:43,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:43,030 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:43,045 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,045 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,045 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:43,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:43,046 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,046 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:43,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,047 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,047 - INFO - moving on ...
-2024-12-09 10:29:43,047 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:43,047 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:43,047 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:43,047 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,047 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:43,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,048 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,049 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,049 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:43,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:43,049 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,065 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,065 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,065 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:43,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:43,065 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,065 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:43,066 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:43,066 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:43,066 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,066 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:43,066 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,066 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,066 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,068 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,068 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:43,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:43,068 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:43,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,084 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,084 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:43,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,086 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,086 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:43,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:43,086 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:43,102 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,102 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,102 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:43,102 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,102 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,102 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,104 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,104 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:43,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:43,104 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,120 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,121 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,121 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:43,121 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,121 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,121 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,123 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,123 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:43,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:43,123 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,139 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,139 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:43,139 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,139 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,139 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,141 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,141 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:43,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:43,141 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:43,157 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,157 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,157 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:43,157 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,158 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,158 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,160 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,160 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:43,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:43,160 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:43,176 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,176 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,176 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:43,177 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,177 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,177 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,179 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,179 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,179 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:43,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:43,179 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:43,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,195 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,195 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:43,195 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,196 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,196 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,197 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,197 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,198 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:43,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:43,198 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:43,213 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,214 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,214 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:43,214 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,216 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,216 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:43,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:43,216 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:43,231 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,232 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,232 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:43,232 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,232 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,232 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,234 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,234 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,234 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:43,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:43,234 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:43,250 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,251 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,251 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:43,251 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,251 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,251 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,253 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,253 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,253 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:43,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:43,253 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,269 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,270 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,270 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:43,270 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,270 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,270 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,272 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,272 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:43,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:43,272 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:43,288 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,289 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,289 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:43,289 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:43,289 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:43,289 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,289 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:43,289 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,289 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,289 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,291 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,292 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,292 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:43,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:43,292 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:43,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,309 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,309 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:43,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,309 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,309 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,311 - INFO - number of orbitals:  108
-2024-12-09 10:29:43,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,311 - INFO - moving on ...
-2024-12-09 10:29:43,311 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:43,312 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:43,312 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:43,312 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,312 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:43,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,313 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,313 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,313 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:43,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:43,313 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:43,330 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,331 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,331 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:43,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:43,331 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,331 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:43,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,332 - INFO - number of orbitals:  135
-2024-12-09 10:29:43,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,332 - INFO - moving on ...
-2024-12-09 10:29:43,332 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:43,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,334 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,334 - INFO - moving on ...
-2024-12-09 10:29:43,334 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:43,334 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:43,334 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:43,334 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,334 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:43,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,335 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,335 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,335 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:43,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:43,335 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:43,351 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,352 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,352 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:43,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:43,352 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,352 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:43,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,353 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,353 - INFO - moving on ...
-2024-12-09 10:29:43,353 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:43,354 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:43,354 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:43,354 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,354 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:43,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,355 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,355 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,355 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:43,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:43,355 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:43,370 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,371 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,371 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:43,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:43,371 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,371 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:43,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,372 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,372 - INFO - moving on ...
-2024-12-09 10:29:43,372 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:43,373 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:43,373 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:43,373 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,373 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:43,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,374 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,374 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:43,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:43,374 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:43,389 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,389 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,389 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:43,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:43,389 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,389 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:43,390 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:43,390 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:43,390 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,390 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:43,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,391 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,391 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,391 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:43,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:43,391 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:43,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,407 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,407 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:43,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:43,407 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,407 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:43,407 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:43,407 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:43,407 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,407 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:43,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,409 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,409 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:43,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:43,409 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:43,425 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,425 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,425 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:43,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:43,425 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,426 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:43,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,427 - INFO - number of orbitals:  118
-2024-12-09 10:29:43,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,427 - INFO - moving on ...
-2024-12-09 10:29:43,427 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:43,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,429 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,429 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:43,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:43,429 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:43,445 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,446 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,446 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:43,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:43,446 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,446 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:43,446 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:43,446 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:43,446 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,446 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:43,446 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,447 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,448 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,449 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,449 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:43,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:43,449 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,465 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,465 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,465 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:43,465 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,465 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,465 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,467 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,467 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,467 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:43,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:43,467 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:43,483 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,483 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,483 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:43,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,484 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,484 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,486 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,486 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:43,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:43,486 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:43,501 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,501 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,501 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:43,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,502 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,503 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,503 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,503 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:43,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:43,504 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,520 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,520 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,520 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:43,520 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,520 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,520 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,522 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,522 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,522 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:43,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:43,522 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:43,540 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,540 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,541 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:43,541 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,544 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,544 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:43,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:43,544 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:43,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,561 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,562 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:43,562 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,564 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,564 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,564 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:43,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:43,564 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:43,580 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,580 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,580 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:43,580 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,580 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,580 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,582 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,582 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:43,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:43,582 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:43,598 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,598 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,598 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:43,598 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:43,598 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:43,599 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,599 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:43,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,600 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,600 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,600 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:43,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:43,600 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:43,615 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,616 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,616 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:43,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:43,616 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,616 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:43,616 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:43,616 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:43,616 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,616 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:43,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,618 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,618 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,618 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:43,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:43,618 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:43,634 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,634 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,634 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:43,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:43,634 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,634 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:43,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,636 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,636 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,636 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:43,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:43,636 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:43,652 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,652 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,653 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:43,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:43,653 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,653 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:43,653 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:43,653 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:43,653 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,653 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:43,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,654 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,655 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,655 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:43,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:43,655 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:43,671 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,671 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,671 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:43,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:43,671 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,671 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:43,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,673 - INFO - number of orbitals:  119
-2024-12-09 10:29:43,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,674 - INFO - moving on ...
-2024-12-09 10:29:43,674 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:43,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,675 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,675 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,675 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:43,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:43,675 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:43,693 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,693 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,693 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:43,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:43,693 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,693 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:43,693 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:43,694 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:43,694 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,694 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:43,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,695 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,695 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,695 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:43,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:43,695 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:43,712 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,713 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,713 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:43,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:43,713 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,713 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:43,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,714 - INFO - number of orbitals:  135
-2024-12-09 10:29:43,714 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,714 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,714 - INFO - moving on ...
-2024-12-09 10:29:43,714 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:43,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,716 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,716 - INFO - moving on ...
-2024-12-09 10:29:43,716 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:43,716 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:43,716 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:43,716 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,716 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:43,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,717 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,717 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,717 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:43,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:43,717 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:43,734 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,734 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,734 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:43,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:43,734 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,734 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:43,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,736 - INFO - number of orbitals:  118
-2024-12-09 10:29:43,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,736 - INFO - moving on ...
-2024-12-09 10:29:43,736 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:43,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,737 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,737 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,737 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:43,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:43,738 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:43,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,755 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,755 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:43,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:43,755 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,755 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:43,755 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:43,755 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:43,755 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,755 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:43,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,757 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,757 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,757 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:43,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:43,757 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:43,773 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,773 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,773 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:43,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:43,773 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,773 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:43,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,775 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,775 - INFO - moving on ...
-2024-12-09 10:29:43,775 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:43,775 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:43,775 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:43,775 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,775 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:43,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,776 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,776 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,776 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:43,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:43,777 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:43,793 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,793 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,793 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:43,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:43,793 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,794 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:43,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,795 - INFO - number of orbitals:  110
-2024-12-09 10:29:43,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,795 - INFO - moving on ...
-2024-12-09 10:29:43,795 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:43,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,796 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,797 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,797 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:43,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:43,797 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:43,812 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,813 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,813 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:43,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:43,813 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,813 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:43,813 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:43,813 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:43,813 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,813 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:43,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,815 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,815 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,815 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:43,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:43,815 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:43,831 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,832 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,832 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:43,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:43,832 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,832 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:43,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,834 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,834 - INFO - moving on ...
-2024-12-09 10:29:43,834 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:43,834 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:43,834 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:43,834 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,834 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:43,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,835 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,835 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:43,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:43,835 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:43,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,852 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,852 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:43,853 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:43,853 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:43,853 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,853 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:43,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,854 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,854 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,854 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:43,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:43,855 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:43,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,871 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,871 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:43,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:43,871 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,871 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:43,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,873 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,873 - INFO - moving on ...
-2024-12-09 10:29:43,873 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:43,873 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:43,873 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:43,873 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,873 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:43,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,874 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:43,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:43,875 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:43,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,890 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,891 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:43,891 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:43,891 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:43,891 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,891 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:43,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,893 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,893 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:43,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:43,893 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:43,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,910 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,910 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:43,910 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,910 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,910 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,912 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,912 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,912 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:43,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:43,913 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:43,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,929 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,929 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:43,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,929 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,931 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,931 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,931 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:43,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:43,931 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:43,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,947 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,947 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:43,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,949 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,949 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:43,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:43,950 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:43,966 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,966 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,966 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:43,966 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:43,966 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:43,966 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,966 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:43,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,968 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,968 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,968 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:43,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:43,969 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:43,985 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,985 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,985 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:43,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:43,986 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,986 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:43,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,987 - INFO - number of orbitals:  85
-2024-12-09 10:29:43,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,987 - INFO - moving on ...
-2024-12-09 10:29:43,987 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:43,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,989 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,989 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:43,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:43,989 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:44,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,005 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,005 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:44,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:44,005 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,005 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:44,006 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:44,006 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:44,006 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,006 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:44,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,007 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,007 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,007 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:44,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:44,007 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:44,023 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,024 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,024 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:44,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:44,024 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,024 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:44,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,025 - INFO - number of orbitals:  110
-2024-12-09 10:29:44,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,026 - INFO - moving on ...
-2024-12-09 10:29:44,026 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:44,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,027 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,027 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:44,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:44,027 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:44,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,043 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,043 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:44,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:44,043 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,044 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:44,044 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:44,044 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:44,044 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,044 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:44,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,045 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,045 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:44,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:44,045 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:44,061 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,062 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,062 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:44,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:44,062 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,062 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:44,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,064 - INFO - number of orbitals:  85
-2024-12-09 10:29:44,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,064 - INFO - moving on ...
-2024-12-09 10:29:44,064 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:44,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,065 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,065 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,065 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:44,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:44,065 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:44,081 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,081 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,082 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:44,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:44,082 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,082 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:44,082 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:44,082 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:44,082 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,082 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:44,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,083 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,083 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,083 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:44,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:44,084 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:44,100 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,100 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,100 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:44,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:44,100 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,100 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:44,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,102 - INFO - number of orbitals:  88
-2024-12-09 10:29:44,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,102 - INFO - moving on ...
-2024-12-09 10:29:44,102 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:44,102 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:44,102 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:44,102 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,102 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:44,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,103 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,103 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:44,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:44,103 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:44,119 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,120 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,120 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:44,120 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:44,120 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:44,120 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,120 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:44,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,121 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,121 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,123 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,123 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:44,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:44,123 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:44,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,140 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,140 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:44,140 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,140 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,140 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,142 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,142 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,142 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:44,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:44,142 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:44,158 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,158 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,158 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:44,158 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,158 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,158 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,160 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,160 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,160 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:44,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:44,160 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:44,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,177 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,177 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:44,177 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,177 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,177 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,179 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,179 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,179 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:44,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:44,179 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:44,196 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,196 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,197 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:44,197 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,197 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,197 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,199 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,199 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,199 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:44,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:44,199 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:44,216 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,216 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,216 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:44,216 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,216 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,216 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,218 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,218 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:44,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:44,218 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:44,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,235 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,235 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:44,236 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,236 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,236 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,238 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,238 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,238 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:44,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:44,238 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:44,254 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,255 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,255 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:44,255 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,255 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,255 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,257 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,257 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,257 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:44,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:44,257 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:44,274 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,274 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,274 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:44,274 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,274 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,274 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,276 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,276 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,276 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:44,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:44,276 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:44,293 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,294 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,294 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:44,294 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:44,294 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:44,294 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,294 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:44,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,296 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,296 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:44,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:44,296 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:44,312 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,312 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,313 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:44,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:44,313 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,313 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:44,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,314 - INFO - number of orbitals:  88
-2024-12-09 10:29:44,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,314 - INFO - moving on ...
-2024-12-09 10:29:44,314 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:44,315 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:44,315 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:44,315 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,315 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:44,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,316 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,316 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:44,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:44,316 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:44,332 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,332 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,333 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:44,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:44,333 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,333 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:44,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,334 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,334 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,334 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:44,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:44,334 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:44,351 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,351 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,351 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:44,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:44,352 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,352 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:44,352 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:44,352 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:44,352 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,352 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:44,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,353 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,353 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,353 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:44,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:44,353 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:44,371 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,371 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,371 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:44,371 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:44,371 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:44,371 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,371 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:44,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,373 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,373 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,373 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:44,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:44,373 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:44,390 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,390 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,391 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:44,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:44,391 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,391 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:44,391 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:44,391 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:44,391 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,391 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:44,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,393 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,393 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,393 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:44,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:44,393 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:44,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,410 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,410 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:44,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:44,410 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,410 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:44,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,412 - INFO - number of orbitals:  116
-2024-12-09 10:29:44,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,412 - INFO - moving on ...
-2024-12-09 10:29:44,412 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:44,412 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:44,412 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:44,412 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,412 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:44,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,414 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,414 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,414 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:44,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:44,414 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:44,431 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,431 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,431 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:44,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:44,432 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,432 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:44,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,433 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,433 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:44,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:44,434 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:44,450 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,451 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,451 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:44,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:44,451 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,451 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:44,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,453 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,453 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:44,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:44,453 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:44,469 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,469 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,470 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:44,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:44,470 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,470 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:44,470 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:44,470 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:44,470 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,470 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:44,470 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,472 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,472 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,472 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:44,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:44,472 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:44,489 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,489 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,489 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:44,489 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,489 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,489 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,491 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,491 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,491 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:44,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:44,491 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:44,508 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,508 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,508 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:44,508 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,508 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,508 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,510 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,510 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,510 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:44,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:44,510 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:44,526 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,527 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,527 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:44,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,529 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,529 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,529 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:44,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:44,529 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:29:44,545 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,545 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,545 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:44,546 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,546 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,546 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,548 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,548 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,548 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:44,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:44,548 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:44,564 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,564 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,565 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:44,565 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,567 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,567 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,567 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:44,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:44,567 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:44,583 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,584 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,584 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:44,584 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,584 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,584 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,586 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,586 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,586 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:44,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:44,586 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:44,602 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,602 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,602 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:44,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,605 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,605 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,605 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:29:44,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:29:44,605 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:29:44,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,621 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,622 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:44,622 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,624 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,624 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,624 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:44,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:44,624 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:44,639 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,640 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,640 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:44,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,642 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,642 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,642 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:44,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:44,642 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:44,657 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,657 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,657 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:44,657 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,658 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,658 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,659 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,659 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,659 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:44,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:44,660 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:44,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,676 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,676 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:44,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,678 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,678 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,678 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:29:44,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:29:44,678 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:29:44,694 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,695 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,695 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:44,695 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:44,695 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:44,695 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,695 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:44,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,696 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,696 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,697 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:44,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:44,697 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:44,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,713 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,713 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:44,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:44,714 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,714 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:44,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,715 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,715 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:44,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:44,716 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:44,732 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,732 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,732 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:44,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:44,732 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,732 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:44,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,734 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,734 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,734 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:44,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:44,734 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:44,750 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,751 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,751 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:44,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:44,751 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,751 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:44,751 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:44,751 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:44,751 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,751 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:44,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,753 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,753 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:44,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:44,753 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:44,770 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,771 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,771 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:44,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:44,771 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,771 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:44,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,772 - INFO - number of orbitals:  110
-2024-12-09 10:29:44,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,772 - INFO - moving on ...
-2024-12-09 10:29:44,772 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:44,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,774 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,774 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,774 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:44,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:44,774 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:44,790 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,791 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,791 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:44,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:44,791 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,791 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:44,791 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:44,792 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:44,792 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,792 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:44,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,793 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,793 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,793 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:44,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:44,794 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:44,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,811 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,811 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:44,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:44,811 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,811 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:44,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,813 - INFO - number of orbitals:  110
-2024-12-09 10:29:44,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,813 - INFO - moving on ...
-2024-12-09 10:29:44,813 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:44,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,814 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,814 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,814 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:44,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:44,814 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:44,831 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,832 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,832 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:44,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:44,832 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,832 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:44,832 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:44,832 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:44,832 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,832 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:44,832 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,832 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,833 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,835 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,835 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:44,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:44,835 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:44,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,852 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,852 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:44,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,855 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,855 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:44,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:44,855 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:44,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,872 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,872 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:44,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,875 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,875 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:44,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:44,875 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:44,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,892 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,892 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:44,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,894 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,894 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:44,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:44,894 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:44,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,911 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,911 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:44,911 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,911 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,911 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,913 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,913 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:44,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:44,913 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:44,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,930 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,930 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:44,930 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,930 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,930 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,932 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,932 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:44,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:44,932 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:44,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,949 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,949 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:44,949 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,949 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,949 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,951 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,951 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,951 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:44,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:44,952 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:44,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,968 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,968 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:44,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,970 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,970 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,971 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:44,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:44,971 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:44,986 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,987 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,987 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:44,987 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,987 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,987 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,989 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,989 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:44,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:44,989 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:45,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,006 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,006 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:45,006 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:45,006 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:45,006 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,006 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:45,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,008 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,008 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,008 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:45,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:45,008 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:45,024 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,024 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,024 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:45,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:45,025 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,025 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:45,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,026 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,026 - INFO - moving on ...
-2024-12-09 10:29:45,027 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:45,027 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:45,027 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:45,027 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,027 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:45,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,028 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,028 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,028 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:29:45,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:29:45,028 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:29:45,044 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,045 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,045 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:29:45,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:29:45,045 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,045 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:45,045 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:45,045 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:45,045 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,045 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:45,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,047 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,047 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,047 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:45,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:45,047 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:45,062 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,063 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,063 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:45,063 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:45,063 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:45,063 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,063 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:45,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,065 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,065 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:45,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:45,065 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:45,082 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,082 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,082 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:45,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:45,082 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,082 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:45,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,084 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,084 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,084 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:45,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:45,084 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:45,100 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,100 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,101 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:45,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:45,101 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,101 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:45,101 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:45,101 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:45,101 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,101 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:45,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,102 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,102 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,102 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:45,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:45,103 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:45,118 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,118 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,118 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:45,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:45,118 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,118 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:45,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,120 - INFO - number of orbitals:  90
-2024-12-09 10:29:45,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,120 - INFO - moving on ...
-2024-12-09 10:29:45,120 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:45,120 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:45,120 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:45,120 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,120 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:45,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,122 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,122 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,122 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:45,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:45,122 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:45,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,139 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,139 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:45,139 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:45,139 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:45,139 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,140 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:45,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,141 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,141 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:45,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:45,141 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:45,158 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,158 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,158 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:45,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:45,158 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,158 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:45,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,160 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,160 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,160 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,160 - INFO - moving on ...
-2024-12-09 10:29:45,160 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:45,160 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:45,160 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:45,160 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,160 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:45,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,161 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,161 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:45,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:45,161 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:45,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,177 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,177 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:45,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:45,177 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,177 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:45,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,179 - INFO - number of orbitals:  106
-2024-12-09 10:29:45,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,179 - INFO - moving on ...
-2024-12-09 10:29:45,179 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:45,179 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:45,179 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:45,179 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,179 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:45,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,180 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,180 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,180 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:45,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:45,180 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:45,197 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,197 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,197 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:45,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:45,198 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,198 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:45,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,199 - INFO - number of orbitals:  118
-2024-12-09 10:29:45,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,199 - INFO - moving on ...
-2024-12-09 10:29:45,199 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:45,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,201 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,201 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,201 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:45,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:45,201 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:45,216 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,216 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,217 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:45,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:45,217 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,217 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:45,217 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:45,217 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:45,217 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,217 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:45,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,218 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,219 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:45,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:45,219 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:45,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,235 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,235 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:45,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:45,236 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,236 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:45,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,237 - INFO - number of orbitals:  114
-2024-12-09 10:29:45,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,237 - INFO - moving on ...
-2024-12-09 10:29:45,237 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:45,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,238 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,239 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,239 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:45,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:45,239 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:45,255 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,255 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,255 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:45,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:45,256 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,256 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:45,256 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:45,256 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:45,256 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,256 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:45,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,257 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,258 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,258 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:45,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:45,258 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:45,275 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,275 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,275 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:45,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:45,275 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,275 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:45,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,277 - INFO - number of orbitals:  115
-2024-12-09 10:29:45,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,277 - INFO - moving on ...
-2024-12-09 10:29:45,277 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:45,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,278 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,278 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:45,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:45,278 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:45,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,295 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,295 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:45,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:45,296 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,296 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:45,296 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:45,296 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:45,296 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,296 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:45,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,298 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,298 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:45,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:45,298 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:45,314 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,315 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,315 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:45,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:45,315 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,315 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:45,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,317 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,317 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:29:45,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:29:45,317 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:29:45,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,334 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,334 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:29:45,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:29:45,334 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,334 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:45,334 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:45,334 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:45,334 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,334 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:45,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,336 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,336 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:45,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:45,336 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:45,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,354 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,354 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:45,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:45,354 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,354 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:45,354 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:45,354 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:45,354 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,354 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:45,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,356 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,356 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:45,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:45,356 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:45,372 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,372 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,372 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:45,372 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:45,372 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:45,372 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,372 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:45,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,374 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,374 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:45,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:45,374 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:45,390 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,391 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,391 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:45,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:45,391 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,391 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:45,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,393 - INFO - number of orbitals:  86
-2024-12-09 10:29:45,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,393 - INFO - moving on ...
-2024-12-09 10:29:45,393 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:45,393 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:45,393 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:45,393 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,393 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:45,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,394 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,395 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:45,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:45,395 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:45,411 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,411 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,412 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:45,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:45,412 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,412 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:45,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,413 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,413 - INFO - moving on ...
-2024-12-09 10:29:45,413 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:45,414 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:45,414 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:45,414 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,414 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:45,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,415 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,415 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,415 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:45,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:45,415 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:45,431 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,432 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,432 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:45,432 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:45,432 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:45,432 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,432 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:45,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,434 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,434 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,434 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:45,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:45,434 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:45,450 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,451 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,451 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:45,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:45,451 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,451 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:45,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,452 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,453 - INFO - moving on ...
-2024-12-09 10:29:45,453 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:45,453 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:45,453 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:45,453 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,453 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:45,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,454 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,454 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,454 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:29:45,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:29:45,454 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:29:45,471 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,471 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,471 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:29:45,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:29:45,472 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,472 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:45,472 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:45,472 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:45,472 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,472 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:45,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,473 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,473 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,473 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:45,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:45,474 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:45,490 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,491 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,491 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:45,491 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:45,491 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:45,491 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,491 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:45,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,493 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,493 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,493 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:45,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:45,493 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:45,510 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,510 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,510 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:45,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:45,510 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,510 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:45,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,512 - INFO - number of orbitals:  116
-2024-12-09 10:29:45,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,512 - INFO - moving on ...
-2024-12-09 10:29:45,512 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:45,512 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:45,512 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:45,512 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,512 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:45,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,514 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,514 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,514 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:45,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:45,514 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:45,531 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,531 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,531 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:45,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:45,531 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,531 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:45,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,533 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,533 - INFO - moving on ...
-2024-12-09 10:29:45,533 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:45,533 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:45,533 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:45,533 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,533 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:45,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,535 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,535 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:45,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:45,535 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:45,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,552 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,552 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:45,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:45,552 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,552 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:45,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,553 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,553 - INFO - moving on ...
-2024-12-09 10:29:45,553 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:45,554 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:45,554 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:45,554 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,554 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:45,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,555 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,555 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,555 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:45,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:45,555 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:45,572 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,572 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,572 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:45,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:45,572 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,572 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:45,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,574 - INFO - number of orbitals:  110
-2024-12-09 10:29:45,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,574 - INFO - moving on ...
-2024-12-09 10:29:45,574 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:45,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,575 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,576 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,576 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:45,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:45,576 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:45,592 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,592 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,592 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:45,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:45,593 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,593 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:45,593 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:45,593 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:45,593 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,593 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:45,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,594 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,594 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,595 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:45,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:45,595 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:45,611 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,612 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,612 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:45,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:45,612 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,612 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:45,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,613 - INFO - number of orbitals:  135
-2024-12-09 10:29:45,613 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,613 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,613 - INFO - moving on ...
-2024-12-09 10:29:45,613 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:45,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,615 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,615 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,615 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,615 - INFO - moving on ...
-2024-12-09 10:29:45,615 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:45,615 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:45,615 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:45,615 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,615 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:45,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,616 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,617 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,617 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:45,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:45,617 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:45,634 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,634 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,634 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:45,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:45,634 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,634 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:45,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,636 - INFO - number of orbitals:  119
-2024-12-09 10:29:45,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,636 - INFO - moving on ...
-2024-12-09 10:29:45,636 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:45,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,637 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,637 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,637 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:45,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:45,638 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:45,654 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,655 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,655 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:45,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:45,655 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,655 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:45,655 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:45,655 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:45,655 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,655 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:45,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,657 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,657 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,657 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:45,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:45,657 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:45,674 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,674 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,674 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:45,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:45,674 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,674 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:45,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,676 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,676 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,676 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:45,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:45,676 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:45,693 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,694 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,694 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:45,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:45,694 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,694 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:45,694 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:45,694 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:45,694 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,694 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:45,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,696 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,696 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,696 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:45,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:45,696 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:45,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,713 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,713 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:45,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:45,714 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,714 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:45,714 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:45,714 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:45,714 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,714 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:45,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,715 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,715 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:45,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:45,716 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:45,734 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,734 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,734 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:45,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:45,734 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,734 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:45,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,736 - INFO - number of orbitals:  89
-2024-12-09 10:29:45,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,736 - INFO - moving on ...
-2024-12-09 10:29:45,736 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:45,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,737 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,737 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,737 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:45,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:45,737 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:45,753 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,754 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,754 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:45,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:45,754 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,754 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:45,754 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:45,754 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:45,754 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,754 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:45,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,756 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,756 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:45,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:45,756 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:45,772 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,773 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,773 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:45,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:45,773 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,773 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:45,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,774 - INFO - number of orbitals:  94
-2024-12-09 10:29:45,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,775 - INFO - moving on ...
-2024-12-09 10:29:45,775 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:45,775 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:45,775 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:45,775 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,775 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:45,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,776 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,776 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,776 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:45,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:45,776 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:45,793 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,793 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,793 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:45,794 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:45,794 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:45,794 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,794 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:45,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,795 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,795 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,795 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:45,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:45,796 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:45,812 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,812 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,812 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:45,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:45,812 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,812 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:45,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,814 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,814 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,814 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:29:45,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:29:45,814 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:29:45,830 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,831 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,831 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:29:45,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:29:45,831 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,831 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:45,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,832 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,832 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,832 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:45,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:45,833 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:45,849 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,850 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,850 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:45,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:45,850 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,850 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:45,850 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:45,850 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:45,850 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,850 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:45,850 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,850 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,850 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,852 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,852 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,853 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:45,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:45,853 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:45,869 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,870 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,870 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:45,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,872 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,872 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:45,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:45,872 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:45,889 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,889 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,889 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:45,889 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,891 - INFO - number of orbitals:  90
-2024-12-09 10:29:45,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,891 - INFO - moving on ...
-2024-12-09 10:29:45,891 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:45,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,893 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,894 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:45,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:45,894 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:45,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,910 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,910 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:45,910 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,910 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,910 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,912 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,912 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,912 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:45,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:45,912 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:45,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,928 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,928 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:45,928 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,928 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,928 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,930 - INFO - number of orbitals:  90
-2024-12-09 10:29:45,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,931 - INFO - moving on ...
-2024-12-09 10:29:45,931 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:45,931 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:45,931 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:45,931 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,931 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:45,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,932 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,932 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:45,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:45,932 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:45,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,949 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,949 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:45,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:45,949 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,949 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:45,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,951 - INFO - number of orbitals:  115
-2024-12-09 10:29:45,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,951 - INFO - moving on ...
-2024-12-09 10:29:45,951 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:45,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,952 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,952 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:45,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:45,952 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:45,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,968 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,968 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:45,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:45,968 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,968 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:45,969 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:45,969 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:45,969 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,969 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:45,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,970 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,970 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,970 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:29:45,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:29:45,970 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:29:45,987 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,987 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,987 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:29:45,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:29:45,987 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,987 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:45,987 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:45,987 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:45,987 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,987 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:45,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,989 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,989 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:45,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:45,989 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:46,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,006 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,006 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:46,006 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:46,006 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:46,006 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,006 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:46,006 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,007 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,007 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,008 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,009 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,009 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:46,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:46,009 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:46,025 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,025 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,025 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:46,025 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,027 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,027 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:46,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:46,027 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:46,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,043 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,043 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:46,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,044 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,046 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,046 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,046 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:46,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:46,046 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,062 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,062 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,062 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:46,062 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,065 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,065 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:46,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:46,065 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:46,080 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,081 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,081 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:46,081 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,081 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,081 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,083 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,083 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,083 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:46,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:46,083 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:46,100 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,100 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,100 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:46,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,103 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,103 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:46,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:46,103 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,119 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,119 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,120 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:46,120 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:46,120 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:46,120 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,120 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:46,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,122 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,123 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,123 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:46,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:46,123 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,143 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,144 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,144 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:46,144 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,144 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,144 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,146 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,146 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,146 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:46,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:46,146 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:46,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,163 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,163 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:46,163 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,163 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,163 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,165 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,165 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:46,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:46,165 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:46,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,182 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,182 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:46,182 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:46,182 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:46,182 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,183 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:46,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,184 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,184 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,184 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:29:46,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:29:46,184 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:29:46,200 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,200 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,201 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:29:46,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:29:46,201 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,201 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:46,201 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:46,201 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:46,201 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,201 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:46,201 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,204 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,204 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:46,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:46,204 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:46,220 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,220 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,220 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:46,220 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,220 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,220 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,222 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,222 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,222 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:46,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:46,222 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:46,238 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,238 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,238 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:46,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,240 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,240 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:46,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:46,241 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:46,257 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,257 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,257 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:46,257 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,258 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,258 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,260 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,260 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,260 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:46,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:46,260 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,276 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,276 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,276 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:46,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,277 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,277 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,279 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,279 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:46,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:46,279 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:46,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,295 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,295 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:46,295 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,296 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,296 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,297 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,297 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,297 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:46,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:46,298 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:46,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,314 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,314 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:46,314 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,314 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,314 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,316 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,316 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:46,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:46,316 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:46,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,333 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,333 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:46,333 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,333 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,333 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,335 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,335 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,335 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:46,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:46,335 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:46,352 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,352 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,352 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:46,352 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,354 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,354 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,354 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:46,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:46,355 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:46,371 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,371 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,371 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:46,371 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,371 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,371 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,373 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,373 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,373 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:46,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:46,373 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:46,390 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,390 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,390 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:46,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,393 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,393 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,393 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:46,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:46,393 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:46,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,410 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,410 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:46,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,412 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,412 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,412 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:46,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:46,412 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,429 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,429 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,429 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:46,429 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,429 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,429 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,431 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,431 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,431 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:46,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:46,431 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:46,448 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,448 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,449 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:46,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,451 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,451 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,451 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:46,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:46,451 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:46,467 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,468 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,468 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:46,468 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,468 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,468 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,470 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,470 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,470 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:46,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:46,470 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:46,486 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,487 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,487 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:46,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,489 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,489 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,489 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:46,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:46,489 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:46,505 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,505 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,505 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:46,506 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:46,506 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:46,506 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,506 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:46,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,507 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,507 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:46,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:46,507 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:46,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,523 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,524 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:46,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:46,524 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,524 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:46,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,525 - INFO - number of orbitals:  90
-2024-12-09 10:29:46,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:46,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,525 - INFO - moving on ...
-2024-12-09 10:29:46,525 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:46,525 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:46,526 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:46,526 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,526 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:46,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,527 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,527 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,527 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:46,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:46,527 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:46,543 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,543 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,544 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:46,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:46,544 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,544 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:46,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,545 - INFO - number of orbitals:  118
-2024-12-09 10:29:46,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,545 - INFO - moving on ...
-2024-12-09 10:29:46,545 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:46,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,547 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,547 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,547 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:46,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:46,547 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,563 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,563 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,563 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:46,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:46,563 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,563 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:46,563 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:46,563 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:46,563 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,564 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:46,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,565 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,565 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:46,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:46,565 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:46,582 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,582 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,582 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:46,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:46,582 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,582 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:46,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,584 - INFO - number of orbitals:  88
-2024-12-09 10:29:46,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,584 - INFO - moving on ...
-2024-12-09 10:29:46,584 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:46,584 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:46,584 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:46,584 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,584 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:46,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,585 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,585 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,585 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:46,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:46,586 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,601 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,602 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,602 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:46,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:46,602 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,602 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:46,602 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:46,602 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:46,602 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,602 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:46,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,604 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,605 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:46,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:46,605 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:46,620 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,621 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,621 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:46,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,621 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,621 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,623 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,623 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,623 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:46,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:46,623 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:46,639 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,640 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,640 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:46,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,642 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,642 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,642 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:46,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:46,642 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,658 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,658 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,658 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:46,659 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,659 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,659 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,661 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,661 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,661 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:46,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:46,661 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,676 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,677 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,677 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:46,677 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,677 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,677 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,679 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,679 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,679 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:46,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:46,679 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:46,695 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,696 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,696 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:46,696 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,696 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,696 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,698 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,698 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,698 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:46,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:46,698 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:46,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,715 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,715 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:46,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,717 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,717 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,717 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:46,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:46,717 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:46,733 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,733 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,733 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:46,733 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,735 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,735 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:46,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:46,735 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:46,751 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,752 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,752 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:46,752 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,752 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,752 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,754 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,754 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,754 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:46,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:46,754 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:46,770 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,771 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,771 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:46,771 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,771 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,771 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,773 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,773 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,773 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:46,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:46,773 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:46,789 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,789 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,789 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:46,789 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,790 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,790 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,791 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,792 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,792 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:46,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:46,792 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,808 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,808 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,808 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:46,808 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,808 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,808 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,810 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,810 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,810 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:46,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:46,810 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:46,826 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,827 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,827 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:46,827 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:46,827 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:46,827 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,827 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:46,827 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,827 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,827 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,829 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,830 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,830 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:46,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:46,830 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:46,846 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,846 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,846 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:46,846 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,846 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,846 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,848 - INFO - number of orbitals:  108
-2024-12-09 10:29:46,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,848 - INFO - moving on ...
-2024-12-09 10:29:46,848 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:46,848 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:46,848 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:46,848 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,848 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:46,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,850 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,850 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,850 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:46,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:46,850 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:46,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,866 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,866 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:46,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:46,867 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,867 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:46,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,868 - INFO - number of orbitals:  135
-2024-12-09 10:29:46,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,868 - INFO - moving on ...
-2024-12-09 10:29:46,868 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:46,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,869 - INFO - number of orbitals:  88
-2024-12-09 10:29:46,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,869 - INFO - moving on ...
-2024-12-09 10:29:46,869 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:46,869 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:46,870 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:46,870 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,870 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:46,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,871 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,871 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,871 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:46,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:46,871 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:46,887 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,887 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,887 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:46,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:46,887 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,887 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:46,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,889 - INFO - number of orbitals:  88
-2024-12-09 10:29:46,889 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,889 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,889 - INFO - moving on ...
-2024-12-09 10:29:46,889 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:46,889 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:46,889 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:46,889 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,889 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:46,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,890 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,890 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:46,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:46,891 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,907 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,907 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,907 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:46,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:46,908 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,908 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:46,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,909 - INFO - number of orbitals:  88
-2024-12-09 10:29:46,909 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,909 - INFO - moving on ...
-2024-12-09 10:29:46,909 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:46,909 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:46,909 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:46,909 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,909 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:46,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,911 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,911 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:46,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:46,911 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:46,926 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,927 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,927 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:46,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:46,927 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,927 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:46,927 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:46,927 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:46,927 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,927 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:46,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,929 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,929 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,929 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:46,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:46,929 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:46,944 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,945 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,945 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:46,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:46,945 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,945 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:46,945 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:46,945 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:46,945 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,945 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:46,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,947 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,947 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,947 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:46,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:46,947 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:46,963 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,963 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,963 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:46,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:46,963 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,963 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:46,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,965 - INFO - number of orbitals:  118
-2024-12-09 10:29:46,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,965 - INFO - moving on ...
-2024-12-09 10:29:46,965 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:46,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,966 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,966 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:46,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:46,966 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:46,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,982 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,982 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:46,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:46,982 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,982 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:46,983 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:46,983 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:46,983 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,983 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:46,983 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,983 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,983 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,985 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,985 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,985 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:46,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:46,985 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:47,001 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,002 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,002 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:47,002 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,002 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,002 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,004 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,004 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,004 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:47,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:47,004 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:47,020 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,021 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,021 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:47,021 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,021 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,021 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,023 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,023 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,023 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:47,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:47,023 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:47,039 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,039 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,039 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:47,039 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,039 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,039 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,041 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,041 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,041 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:47,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:47,042 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:47,058 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,058 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,058 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:47,059 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,059 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,061 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,061 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,061 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:47,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:47,061 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:47,077 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,077 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,077 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:47,077 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,078 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,079 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,080 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:47,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:47,080 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:47,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,096 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,096 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:47,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,098 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:47,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:47,098 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:47,114 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,114 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,114 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:47,114 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,114 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,114 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,116 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,116 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,116 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:47,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:47,116 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:47,132 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,132 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,132 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:47,132 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:47,132 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:47,132 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,132 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:47,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,134 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,134 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,134 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:47,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:47,134 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:47,150 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,150 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,150 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:47,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:47,150 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,150 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:47,150 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:47,150 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:47,150 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,150 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:47,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,152 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,152 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,152 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:47,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:47,152 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:47,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,169 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,169 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:47,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:47,169 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,169 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:47,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,170 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,171 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:47,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:47,171 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:47,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,187 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,187 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:47,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:47,187 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,187 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:47,187 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:47,187 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:47,187 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,187 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:47,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,189 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,189 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:47,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:47,189 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:47,206 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,206 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,206 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:47,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:47,206 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,206 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:47,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,208 - INFO - number of orbitals:  119
-2024-12-09 10:29:47,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,208 - INFO - moving on ...
-2024-12-09 10:29:47,208 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:47,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,209 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,209 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,209 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:47,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:47,209 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:47,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,225 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,225 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:47,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:47,226 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,226 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:47,226 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:47,226 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:47,226 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,226 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:47,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,227 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,227 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:47,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:47,227 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:47,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,244 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,244 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:47,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:47,244 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,244 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:47,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,245 - INFO - number of orbitals:  135
-2024-12-09 10:29:47,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,246 - INFO - moving on ...
-2024-12-09 10:29:47,246 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:47,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,247 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,247 - INFO - moving on ...
-2024-12-09 10:29:47,247 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:47,247 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:47,247 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:47,247 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,247 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:47,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,248 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,249 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,249 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:47,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:47,249 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:47,266 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,266 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,266 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:47,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:47,266 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,267 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:47,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,268 - INFO - number of orbitals:  118
-2024-12-09 10:29:47,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,268 - INFO - moving on ...
-2024-12-09 10:29:47,268 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:47,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,270 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,270 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,270 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:47,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:47,270 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:47,287 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,287 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,288 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:47,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:47,288 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,288 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:47,288 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:47,288 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:47,288 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,288 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:47,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,290 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,290 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,290 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:47,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:47,290 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:47,306 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,306 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,306 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:47,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:47,307 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,307 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:47,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,308 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,308 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,308 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,308 - INFO - moving on ...
-2024-12-09 10:29:47,308 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:47,308 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:47,308 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:47,308 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,308 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:47,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,310 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,310 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,310 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:47,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:47,310 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:47,327 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,327 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,327 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:47,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:47,327 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,327 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:47,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,329 - INFO - number of orbitals:  110
-2024-12-09 10:29:47,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,329 - INFO - moving on ...
-2024-12-09 10:29:47,329 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:47,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,331 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,331 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:47,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:47,331 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:47,348 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,349 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,349 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:47,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:47,349 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,349 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:47,349 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:47,349 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:47,349 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,349 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:47,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,351 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,351 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,351 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:47,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:47,351 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:47,367 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,368 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,368 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:47,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:47,368 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,368 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:47,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,370 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,370 - INFO - moving on ...
-2024-12-09 10:29:47,370 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:47,370 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:47,370 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:47,370 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,370 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:47,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,371 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,371 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,371 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:47,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:47,371 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:47,388 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,388 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,388 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:47,388 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:47,388 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:47,389 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,389 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:47,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,390 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,390 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:47,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:47,390 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:47,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,407 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,407 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:47,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:47,407 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,407 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:47,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,409 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,409 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,409 - INFO - moving on ...
-2024-12-09 10:29:47,409 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:47,409 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:47,409 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:47,409 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,409 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:47,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,410 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,410 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,410 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:47,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:47,410 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:47,427 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,428 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,428 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:47,428 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:47,428 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:47,428 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,428 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:47,428 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,428 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,428 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,430 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,430 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:47,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:47,430 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:47,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,447 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,447 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:47,447 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,447 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,449 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,449 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,449 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:47,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:47,449 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:47,466 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,466 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,466 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:47,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,469 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,469 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:47,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:47,469 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:47,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,486 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,486 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:47,486 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,486 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,486 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,488 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,488 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,488 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:47,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:47,488 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:47,505 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,505 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,505 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:47,505 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:47,505 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:47,505 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,505 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:47,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,507 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,507 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:47,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:47,507 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:47,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,524 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,524 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:47,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:47,524 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,524 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:47,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,525 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,525 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,525 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:29:47,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:29:47,526 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:29:47,543 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,543 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,543 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:29:47,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:29:47,544 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,544 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:47,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,545 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,545 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,545 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:47,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:47,545 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:47,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,563 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,563 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:47,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:47,563 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,563 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:47,563 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:47,563 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:47,563 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,563 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:47,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,565 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,565 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:47,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:47,565 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:47,582 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,582 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,582 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:47,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:47,582 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,582 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:47,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,584 - INFO - number of orbitals:  110
-2024-12-09 10:29:47,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,584 - INFO - moving on ...
-2024-12-09 10:29:47,584 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:47,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,586 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,586 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,586 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:47,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:47,586 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:47,602 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,602 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,602 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:47,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:47,603 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,603 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:47,603 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:47,603 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:47,603 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,603 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:47,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,604 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,604 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:47,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:47,605 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:47,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,621 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,622 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:47,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:47,622 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,622 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:47,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,623 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,623 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,623 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:29:47,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:29:47,623 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:29:47,640 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,640 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,640 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:29:47,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:29:47,640 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,640 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:47,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,642 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,642 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,642 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:47,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:47,642 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:47,658 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,658 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,659 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:47,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:47,659 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,659 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:47,659 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:47,659 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:47,659 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,659 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:47,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,660 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,660 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,660 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:47,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:47,660 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:47,676 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,677 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,677 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:47,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:47,677 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,677 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:47,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,678 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,678 - INFO - moving on ...
-2024-12-09 10:29:47,678 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:47,679 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:47,679 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:47,679 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,679 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:47,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,680 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,680 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,680 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:47,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:47,680 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:47,697 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,697 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,697 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:47,697 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:47,697 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:47,698 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,698 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:47,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,700 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,700 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,700 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:47,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:47,700 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:47,716 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,716 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,716 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:47,716 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,716 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,716 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,718 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,718 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,718 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:47,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:47,719 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:47,735 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,735 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,735 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:47,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,737 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,737 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,737 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:47,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:47,737 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:47,753 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,754 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,754 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:47,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,756 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,756 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:47,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:47,756 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:47,774 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,774 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,774 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:47,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,774 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,777 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,777 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:47,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:47,777 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:47,793 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,794 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,794 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:47,794 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,794 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,794 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,797 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,797 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:47,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:47,797 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:47,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,814 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,814 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:47,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,816 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,816 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:47,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:47,816 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:47,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,833 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,833 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:47,833 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,833 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,833 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,835 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,835 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:47,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:47,835 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:47,851 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,852 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,852 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:47,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,852 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,854 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,854 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,854 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:47,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:47,854 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:47,870 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,871 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,871 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:47,871 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:47,871 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:47,871 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,871 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:47,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,872 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,872 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:47,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:47,873 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:47,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,890 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,890 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:47,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:47,890 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,890 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:47,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,892 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,892 - INFO - moving on ...
-2024-12-09 10:29:47,892 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:47,892 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:47,892 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:47,892 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,892 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:47,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,893 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,893 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:47,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:47,893 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:47,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,910 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,910 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:47,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:47,910 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,910 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:47,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,911 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,911 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:47,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:47,912 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:47,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,928 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,928 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:47,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:47,928 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,929 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:47,929 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:47,929 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:47,929 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,929 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:47,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,930 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,930 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:47,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:47,930 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:47,946 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,947 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,947 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:47,947 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:47,947 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:47,947 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,947 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:47,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,949 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,949 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:47,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:47,949 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:47,964 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,965 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,965 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:47,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:47,965 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,965 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:47,965 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:47,965 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:47,965 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,965 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:47,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,967 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,967 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,967 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:47,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:47,967 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:47,984 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,984 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,984 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:47,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:47,984 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,984 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:47,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,986 - INFO - number of orbitals:  116
-2024-12-09 10:29:47,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,986 - INFO - moving on ...
-2024-12-09 10:29:47,986 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:47,986 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:47,987 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:47,987 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,987 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:47,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,988 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,988 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,988 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:47,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:47,988 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:48,004 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,005 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,005 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:48,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:48,005 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,005 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:48,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,006 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,006 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,006 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:48,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:48,006 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:48,022 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,023 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,023 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:48,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:48,023 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,023 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:48,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,024 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,024 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,025 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:48,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:48,025 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:48,040 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,041 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,041 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:48,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:48,041 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,041 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:48,041 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:48,041 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:48,041 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,041 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:48,041 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,041 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,041 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,043 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,043 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,043 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:48,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:48,044 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:48,059 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,060 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,060 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:48,060 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,060 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,060 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,062 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,062 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,062 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:48,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:48,062 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:48,078 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,078 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,078 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:48,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,079 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,079 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,080 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,080 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,081 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:48,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:48,081 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:48,096 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,097 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,097 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:48,097 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,105 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,107 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,107 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,107 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:48,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:48,108 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:29:48,130 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,130 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,130 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:48,131 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,131 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,131 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,132 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,133 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,133 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:48,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:48,133 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:48,148 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,149 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,149 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:48,149 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,149 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,149 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,151 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,151 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:48,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:48,151 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:48,166 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,166 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,166 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:48,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,167 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,167 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,169 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,169 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:48,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:48,169 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:48,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,184 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,185 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:48,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,186 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,187 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,187 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:29:48,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:29:48,187 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:29:48,202 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,202 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,202 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:48,202 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,205 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,205 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:48,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:48,205 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:48,220 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,221 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,221 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:48,221 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,221 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,221 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,223 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,223 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:48,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:48,223 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:48,239 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,240 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,240 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:48,240 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,240 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,240 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,242 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,242 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:48,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:48,242 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:48,258 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,258 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,259 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:48,259 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,259 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,259 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,261 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,261 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,261 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:29:48,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:29:48,261 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:29:48,277 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,278 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,278 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:48,278 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:48,278 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:48,278 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,278 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:48,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,280 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,280 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,280 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:48,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:48,280 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:48,296 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,296 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,296 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:48,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:48,296 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,296 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:48,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,298 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,298 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:48,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:48,298 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:48,315 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,315 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,315 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:48,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:48,315 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,315 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:48,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,317 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,317 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,317 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:48,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:48,317 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:48,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,334 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,334 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:48,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:48,334 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,334 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:48,334 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:48,334 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:48,334 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,334 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:48,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,336 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,336 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:48,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:48,336 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:48,352 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,353 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,353 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:48,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:48,353 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,353 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:48,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,354 - INFO - number of orbitals:  110
-2024-12-09 10:29:48,355 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,355 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,355 - INFO - moving on ...
-2024-12-09 10:29:48,355 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:48,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,356 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,356 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:48,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:48,356 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:48,372 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,372 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,372 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:48,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:48,373 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,373 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:48,373 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:48,373 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:48,373 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,373 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:48,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,374 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,374 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:48,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:48,374 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:48,391 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,391 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,391 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:48,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:48,392 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,392 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:48,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,393 - INFO - number of orbitals:  110
-2024-12-09 10:29:48,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,393 - INFO - moving on ...
-2024-12-09 10:29:48,393 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:48,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,395 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,395 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:48,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:48,395 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:48,411 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,411 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,411 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:48,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:48,411 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,411 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:48,411 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:48,411 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:48,412 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,412 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:48,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,414 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,414 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,414 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:48,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:48,414 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:48,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,431 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,431 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:48,431 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,431 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,431 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,433 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,433 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:48,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:48,433 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:48,449 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,449 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,449 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:48,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,451 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,451 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,451 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:48,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:48,452 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:48,468 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,468 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,468 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:48,468 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,468 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,468 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,470 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,470 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,470 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:48,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:48,470 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:48,487 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,487 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,487 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:48,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,489 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,489 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,489 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:48,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:48,489 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:48,505 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,505 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,505 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:48,505 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,506 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,506 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,507 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,508 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:48,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:48,508 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:48,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,523 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,523 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:48,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,524 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,524 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,526 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,526 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:48,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:48,526 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:48,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,542 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,542 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:48,542 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,542 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,542 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,544 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,544 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:48,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:48,544 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:48,560 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,560 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,560 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:48,560 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,560 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,560 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,562 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,562 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:48,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:48,562 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:48,577 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,578 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,578 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:48,578 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:48,578 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:48,578 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,578 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:48,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,579 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,579 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,580 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:48,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:48,580 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:48,595 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,596 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,596 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:48,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:48,596 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,596 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:48,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,597 - INFO - number of orbitals:  88
-2024-12-09 10:29:48,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,597 - INFO - moving on ...
-2024-12-09 10:29:48,597 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:48,598 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:48,598 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:48,598 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,598 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:48,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,599 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,599 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,599 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:29:48,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:29:48,599 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:29:48,614 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,615 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,615 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:29:48,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:29:48,615 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,615 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:48,615 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:48,615 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:48,615 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,615 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:48,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,617 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,617 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,617 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:48,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:48,617 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:48,633 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,633 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,633 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:48,634 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:48,634 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:48,634 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,634 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:48,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,635 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:48,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:48,635 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:48,651 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,651 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,651 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:48,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:48,651 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,651 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:48,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,653 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,653 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,653 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:48,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:48,653 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:48,668 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,669 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,669 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:48,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:48,669 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,669 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:48,669 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:48,669 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:48,669 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,669 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:48,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,671 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,671 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,671 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:48,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:48,671 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:48,686 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,687 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,687 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:48,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:48,687 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,687 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:48,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,688 - INFO - number of orbitals:  90
-2024-12-09 10:29:48,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,689 - INFO - moving on ...
-2024-12-09 10:29:48,689 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:48,689 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:48,689 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:48,689 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,689 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:48,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,690 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,690 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,690 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:48,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:48,690 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:48,705 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,706 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,706 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:48,706 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:48,706 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:48,706 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,706 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:48,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,708 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,708 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,708 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:48,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:48,708 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:48,724 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,724 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,724 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:48,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:48,725 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,725 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:48,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,726 - INFO - number of orbitals:  88
-2024-12-09 10:29:48,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,726 - INFO - moving on ...
-2024-12-09 10:29:48,726 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:48,726 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:48,726 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:48,726 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,726 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:48,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,728 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,728 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,728 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:48,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:48,728 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:48,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,744 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,745 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:48,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:48,745 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,745 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:48,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,746 - INFO - number of orbitals:  106
-2024-12-09 10:29:48,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,746 - INFO - moving on ...
-2024-12-09 10:29:48,746 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:48,746 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:48,746 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:48,746 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,746 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:48,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,748 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,748 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,748 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:48,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:48,748 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:48,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,764 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,764 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:48,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:48,764 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,765 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:48,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,766 - INFO - number of orbitals:  118
-2024-12-09 10:29:48,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,766 - INFO - moving on ...
-2024-12-09 10:29:48,766 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:48,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,768 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,768 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,768 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:48,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:48,768 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:48,785 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,785 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,785 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:48,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:48,785 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,785 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:48,786 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:48,786 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:48,786 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,786 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:48,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,787 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,787 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,787 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:48,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:48,787 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:48,806 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,806 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,806 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:48,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:48,806 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,806 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:48,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,808 - INFO - number of orbitals:  114
-2024-12-09 10:29:48,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,808 - INFO - moving on ...
-2024-12-09 10:29:48,808 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:48,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,810 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,810 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,810 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:48,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:48,810 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:48,827 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,827 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,827 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:48,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:48,827 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,827 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:48,828 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:48,828 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:48,828 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,828 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:48,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,829 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,829 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,829 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:48,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:48,829 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:48,846 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,846 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,847 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:48,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:48,847 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,847 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:48,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,848 - INFO - number of orbitals:  115
-2024-12-09 10:29:48,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,848 - INFO - moving on ...
-2024-12-09 10:29:48,848 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:48,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,850 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,850 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,850 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:48,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:48,850 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:48,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,867 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,867 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:48,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:48,867 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,867 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:48,867 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:48,867 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:48,867 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,867 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:48,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,869 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,869 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,869 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:48,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:48,869 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:48,885 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,885 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,886 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:48,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:48,886 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,886 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:48,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,887 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,887 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,887 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:29:48,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:29:48,887 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:29:48,904 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,904 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,904 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:29:48,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:29:48,904 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,904 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:48,904 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:48,904 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:48,905 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,905 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:48,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,906 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,906 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,906 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:48,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:48,906 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:48,925 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,926 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,926 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:48,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:48,926 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,926 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:48,926 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:48,926 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:48,926 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,926 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:48,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,928 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,928 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,928 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:48,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:48,929 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:48,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,947 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,947 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:48,948 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:48,948 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:48,948 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,948 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:48,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,949 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,949 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:48,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:48,949 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:48,965 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,966 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,966 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:48,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:48,966 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,966 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:48,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,968 - INFO - number of orbitals:  86
-2024-12-09 10:29:48,968 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,968 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,968 - INFO - moving on ...
-2024-12-09 10:29:48,968 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:48,968 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:48,968 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:48,968 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,968 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:48,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,969 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,969 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,969 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:48,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:48,969 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:48,985 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,986 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,986 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:48,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:48,986 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,986 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:48,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,987 - INFO - number of orbitals:  88
-2024-12-09 10:29:48,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,987 - INFO - moving on ...
-2024-12-09 10:29:48,987 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:48,988 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:48,988 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:48,988 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,988 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:48,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,989 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,989 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:48,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:48,989 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:49,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,005 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,005 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:49,005 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:49,005 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:49,005 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,005 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:49,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,007 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,007 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,007 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:49,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:49,007 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:49,023 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,024 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,024 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:49,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:49,024 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,024 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:49,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,025 - INFO - number of orbitals:  88
-2024-12-09 10:29:49,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,025 - INFO - moving on ...
-2024-12-09 10:29:49,025 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:49,026 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:49,026 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:49,026 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,026 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:49,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,027 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,027 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:29:49,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:29:49,027 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:29:49,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,043 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,043 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:29:49,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:29:49,043 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,043 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:49,043 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:49,043 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:49,044 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,044 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:49,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,045 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,045 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:49,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:49,045 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:49,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,063 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,063 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:49,064 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:49,064 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:49,064 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,064 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:49,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,067 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,067 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,067 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:49,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:49,067 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:49,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,084 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,084 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:49,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:49,084 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,085 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:49,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,086 - INFO - number of orbitals:  116
-2024-12-09 10:29:49,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,086 - INFO - moving on ...
-2024-12-09 10:29:49,086 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:49,086 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:49,086 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:49,086 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,086 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:49,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,088 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,088 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,088 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:49,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:49,088 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:49,104 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,104 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,104 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:49,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:49,104 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,104 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:49,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,106 - INFO - number of orbitals:  88
-2024-12-09 10:29:49,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,106 - INFO - moving on ...
-2024-12-09 10:29:49,106 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:49,106 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:49,106 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:49,106 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,106 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:49,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,107 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,107 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,108 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:49,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:49,108 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:49,124 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,125 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,125 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:49,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:49,125 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,125 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:49,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,126 - INFO - number of orbitals:  88
-2024-12-09 10:29:49,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,126 - INFO - moving on ...
-2024-12-09 10:29:49,126 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:49,127 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:49,127 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:49,127 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,127 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:49,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,128 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,128 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,128 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:49,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:49,128 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:49,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,145 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,145 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:49,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:49,145 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,145 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:49,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,147 - INFO - number of orbitals:  110
-2024-12-09 10:29:49,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,147 - INFO - moving on ...
-2024-12-09 10:29:49,147 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:49,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,148 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,148 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:49,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:49,148 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:49,164 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,164 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,164 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:49,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:49,164 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,164 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:49,165 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:49,165 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:49,165 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,165 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:49,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,166 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,166 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,166 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:49,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:49,167 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:49,183 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,184 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,184 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:49,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:49,184 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,184 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:49,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,186 - INFO - number of orbitals:  135
-2024-12-09 10:29:49,186 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,186 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,186 - INFO - moving on ...
-2024-12-09 10:29:49,186 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:49,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,187 - INFO - number of orbitals:  88
-2024-12-09 10:29:49,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,187 - INFO - moving on ...
-2024-12-09 10:29:49,187 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:49,187 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:49,187 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:49,187 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,187 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:49,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,189 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,189 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:49,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:49,189 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:49,205 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,205 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,205 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:49,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:49,205 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,205 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:49,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,207 - INFO - number of orbitals:  119
-2024-12-09 10:29:49,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,207 - INFO - moving on ...
-2024-12-09 10:29:49,207 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:49,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,208 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,208 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,208 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:49,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:49,208 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:49,224 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,225 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,225 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:49,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:49,225 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,225 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:49,225 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:49,225 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:49,225 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,225 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:49,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,226 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,227 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,227 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:49,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:49,227 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:49,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,243 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,243 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:49,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:49,243 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,243 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:49,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,245 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,245 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,245 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:49,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:49,245 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:49,261 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,262 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,262 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:49,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:49,262 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,262 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:49,262 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:49,262 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:49,262 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,262 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:49,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,264 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,264 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,264 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:49,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:49,264 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:49,280 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,280 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,280 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:49,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:49,280 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,280 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:49,281 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:49,281 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:49,281 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,281 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:49,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,282 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,282 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,282 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:49,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:49,282 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:49,298 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,298 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,298 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:49,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:49,299 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,299 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:49,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,300 - INFO - number of orbitals:  89
-2024-12-09 10:29:49,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,300 - INFO - moving on ...
-2024-12-09 10:29:49,300 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:49,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,301 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,301 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,301 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:49,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:49,302 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:49,318 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,318 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,318 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:49,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:49,318 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,318 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:49,319 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:49,319 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:49,319 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,319 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:49,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,320 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,320 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,320 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:49,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:49,320 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:49,337 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,337 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,337 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:49,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:49,337 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,337 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:49,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,339 - INFO - number of orbitals:  94
-2024-12-09 10:29:49,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,339 - INFO - moving on ...
-2024-12-09 10:29:49,339 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:49,339 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:49,339 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:49,339 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,339 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:49,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,341 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,341 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,341 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:49,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:49,341 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:49,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,357 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,357 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:49,358 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:49,358 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:49,358 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,358 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:49,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,359 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,359 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,359 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:49,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:49,359 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:49,376 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,376 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,376 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:49,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:49,376 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,376 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:49,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,378 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,378 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,378 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:29:49,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:29:49,378 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:29:49,394 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,394 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,394 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:29:49,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:29:49,394 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,394 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:49,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,396 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,396 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,396 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:49,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:49,396 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:49,412 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,413 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,413 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:49,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:49,413 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,413 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:49,413 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:49,413 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:49,413 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,413 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:49,413 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,413 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,413 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,415 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,415 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,415 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:49,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:49,415 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:49,432 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,432 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,432 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:49,432 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,432 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,432 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,434 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,434 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,434 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:49,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:49,434 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:49,451 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,451 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,451 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:49,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,453 - INFO - number of orbitals:  90
-2024-12-09 10:29:49,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,454 - INFO - moving on ...
-2024-12-09 10:29:49,454 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:49,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,454 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,455 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,455 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,456 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:49,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:49,456 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:49,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,472 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,472 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:49,473 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,473 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,473 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,475 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,475 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,475 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:49,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:49,475 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:49,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,492 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,492 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:49,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,492 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,492 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,494 - INFO - number of orbitals:  90
-2024-12-09 10:29:49,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,494 - INFO - moving on ...
-2024-12-09 10:29:49,494 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:49,494 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:49,494 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:49,494 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,494 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:49,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,496 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,496 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,496 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:49,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:49,496 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:49,512 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,512 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,512 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:49,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:49,512 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,512 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:49,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,514 - INFO - number of orbitals:  115
-2024-12-09 10:29:49,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,514 - INFO - moving on ...
-2024-12-09 10:29:49,514 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:49,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,515 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,516 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,516 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:49,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:49,516 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:49,532 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,532 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,532 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:49,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:49,532 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,532 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:49,532 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:49,532 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:49,532 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,532 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:49,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,534 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,534 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:29:49,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:29:49,534 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:29:49,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,551 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,551 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:29:49,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:29:49,551 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:49,552 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:49,552 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:49,552 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,552 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:49,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,553 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,553 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,553 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:49,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:49,553 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:49,570 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,570 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,570 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:49,571 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:49,571 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:49,571 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,571 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:49,571 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,571 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,571 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,573 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,573 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:49,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:49,573 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:49,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,589 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,589 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:49,589 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,592 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,592 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:49,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:49,592 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:49,609 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,610 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,610 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:49,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,610 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,610 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,612 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:49,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:49,612 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:49,629 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,629 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,629 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:49,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,631 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,631 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,631 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:49,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:49,632 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:49,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,649 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,649 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:49,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,649 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,649 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,651 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,652 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,652 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:49,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:49,652 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:49,668 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,668 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,668 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:49,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,668 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,668 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,670 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,671 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,671 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:49,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:49,671 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:49,687 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,687 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,687 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:49,688 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:49,688 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:49,688 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,688 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:49,688 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,688 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,688 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,690 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,690 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,690 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:49,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:49,690 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:49,706 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,707 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,707 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:49,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,707 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,707 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,709 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,709 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,709 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:49,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:49,709 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:49,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,726 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,726 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:49,726 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,726 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,728 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,728 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,728 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:49,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:49,728 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:49,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,744 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,744 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:49,745 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:49,745 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:49,745 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,745 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:49,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,746 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,746 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,746 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:29:49,746 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:29:49,746 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:29:49,762 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,762 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,762 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:29:49,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:29:49,763 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,763 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:49,763 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:49,763 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:49,763 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,763 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:49,763 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,765 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,765 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,765 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:49,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:49,766 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:49,782 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,782 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,782 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:49,782 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,783 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,783 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,785 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,785 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,785 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:49,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:49,785 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:49,801 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,802 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,802 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:49,802 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,802 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,802 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,804 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,804 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,804 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:49,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:49,804 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:49,820 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,820 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,820 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:49,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,822 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,823 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:49,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:49,823 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:49,838 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,839 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,839 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:49,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,839 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,839 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,841 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,841 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:49,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:49,841 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:49,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,857 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,858 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:49,858 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,858 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,858 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,860 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,860 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,860 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:49,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:49,860 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:49,876 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,877 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,877 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:49,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,879 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,879 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,879 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:49,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:49,879 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:49,895 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,896 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,896 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:49,896 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,896 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,896 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,898 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,898 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:49,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:49,898 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:49,914 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,914 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,915 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:49,915 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,915 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,915 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,917 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,917 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,917 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:49,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:49,917 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:49,933 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,933 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,933 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:49,933 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,934 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,934 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,935 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,936 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,936 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:49,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:49,936 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:49,953 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,953 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,953 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:49,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,954 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,954 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,956 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,956 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,956 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:49,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:49,956 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:49,973 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,973 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,973 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:49,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,973 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,975 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,975 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,976 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:49,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:49,976 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:49,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,992 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,992 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:49,992 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,992 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,992 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,994 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,994 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:49,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:49,994 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:50,010 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,010 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,010 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:50,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,012 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,012 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,012 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:50,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:50,012 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:50,029 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,030 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,030 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:50,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,032 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,032 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,032 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:50,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:50,032 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:50,049 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,049 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,049 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:50,049 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,049 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,051 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,051 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,051 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:50,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:50,051 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:50,068 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,069 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,069 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:50,069 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:50,069 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:50,069 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,069 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:50,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,071 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,071 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,071 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:50,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:50,071 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:50,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,088 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,089 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:50,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:50,089 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,089 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:50,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,090 - INFO - number of orbitals:  90
-2024-12-09 10:29:50,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:50,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,090 - INFO - moving on ...
-2024-12-09 10:29:50,090 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:50,091 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:50,091 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:50,091 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,091 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:50,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,092 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,092 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,092 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:50,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:50,092 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:50,109 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,109 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,109 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:50,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:50,110 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,110 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:50,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,111 - INFO - number of orbitals:  118
-2024-12-09 10:29:50,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,111 - INFO - moving on ...
-2024-12-09 10:29:50,111 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:50,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,113 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,113 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,113 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:50,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:50,113 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:50,130 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,130 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,130 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:50,130 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:50,130 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,130 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:50,131 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:50,131 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:50,131 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,131 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:50,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,132 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,132 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,132 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:50,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:50,132 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:50,149 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,149 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,150 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:50,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:50,150 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,150 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:50,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,151 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,151 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:29:50,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:29:50,151 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:29:50,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,168 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,168 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:29:50,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:29:50,169 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,169 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:50,169 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:50,169 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:50,169 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,169 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:50,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,170 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,170 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:50,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:50,171 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,187 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,187 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:50,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:50,187 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,188 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:50,188 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:50,188 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:50,188 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,188 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:50,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,190 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,190 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:50,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:50,190 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:50,207 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,207 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,207 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:50,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,207 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,207 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,209 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,209 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,209 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:50,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:50,209 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:50,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,225 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,226 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:50,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,228 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,228 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,228 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:50,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:50,228 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,244 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,244 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:50,244 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,246 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,247 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,247 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:50,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:50,247 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,267 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,268 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,268 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:50,268 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,268 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,268 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,271 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,271 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,271 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:50,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:50,271 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:50,293 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,293 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,293 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:50,294 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,294 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,294 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,297 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,297 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:50,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:50,297 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:50,318 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,318 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,318 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:50,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,319 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,319 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,321 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,321 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,321 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:50,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:50,322 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:50,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,344 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,344 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:50,344 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,344 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,344 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,347 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,347 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,347 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:50,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:50,347 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:50,367 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,368 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,368 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:50,368 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,368 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,368 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,370 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,370 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,370 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:50,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:50,370 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:50,387 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,387 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,387 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:50,387 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,387 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,387 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,389 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,389 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,389 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:50,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:50,389 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:50,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,406 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,406 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:50,406 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,406 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,406 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,408 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,408 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,408 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:50,408 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:50,408 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,425 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,425 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,425 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:50,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,426 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,427 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,428 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,428 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:50,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:50,428 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:50,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,445 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,445 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:50,445 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:50,445 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:50,445 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,445 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:50,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,447 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,447 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:50,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:50,448 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:50,464 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,464 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,464 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:50,465 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,465 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,465 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,467 - INFO - number of orbitals:  108
-2024-12-09 10:29:50,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,467 - INFO - moving on ...
-2024-12-09 10:29:50,467 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:50,467 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:50,467 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:50,467 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,467 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:50,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,469 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,469 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:50,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:50,469 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:50,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,485 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,485 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:50,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:50,486 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,486 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:50,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,487 - INFO - number of orbitals:  135
-2024-12-09 10:29:50,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,487 - INFO - moving on ...
-2024-12-09 10:29:50,487 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:50,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,488 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,488 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,488 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:29:50,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:29:50,488 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:29:50,504 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,505 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,505 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:29:50,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:29:50,505 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,505 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:50,505 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:50,505 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:50,505 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,505 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:50,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,507 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,507 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:50,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:50,507 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:50,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,524 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,524 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:50,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:50,524 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,524 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:50,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,525 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,525 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,525 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:29:50,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:29:50,525 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:29:50,541 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,542 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,542 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:29:50,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:29:50,542 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,542 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:50,542 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:50,542 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:50,542 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,542 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:50,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,544 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,544 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:50,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:50,544 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:50,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,562 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,562 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:50,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:50,562 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,562 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:50,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,564 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,564 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,564 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:29:50,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:29:50,564 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:29:50,580 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,581 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,581 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:29:50,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:29:50,581 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,581 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:50,581 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:50,581 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:50,581 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,581 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:50,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,583 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,583 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,583 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:50,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:50,583 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:50,600 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,600 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,601 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:50,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:50,601 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,601 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:50,601 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:50,601 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:50,601 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,601 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:50,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,603 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,603 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,603 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:50,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:50,603 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:50,620 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,620 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,620 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:50,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:50,620 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,620 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:50,620 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:50,621 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:50,621 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,621 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:50,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,622 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,622 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,622 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:50,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:50,622 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:50,639 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,640 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,640 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:50,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:50,640 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,640 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:50,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,642 - INFO - number of orbitals:  118
-2024-12-09 10:29:50,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,642 - INFO - moving on ...
-2024-12-09 10:29:50,642 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:50,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,643 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,643 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,643 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:50,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:50,643 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:50,660 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,660 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,660 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:50,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:50,660 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,660 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:50,661 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:50,661 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:50,661 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,661 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:50,661 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,663 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,663 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,663 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:50,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:50,663 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,679 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,679 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,679 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:50,679 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,681 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,681 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,681 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:50,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:50,681 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:50,697 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,698 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,698 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:50,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,700 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,700 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,700 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:50,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:50,700 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:50,717 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,717 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,717 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:50,717 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,719 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,720 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,720 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:50,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:50,720 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,736 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,736 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,736 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:50,736 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,736 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,736 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,738 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,738 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,738 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:50,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:50,738 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:50,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,755 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,755 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:50,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,757 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,757 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,757 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:50,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:50,757 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:50,772 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,772 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,772 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:50,773 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,774 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,775 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,775 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:50,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:50,775 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:50,791 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,791 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,791 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:50,791 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,792 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,792 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,793 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,794 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,794 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:50,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:50,794 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:50,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,810 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,811 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:50,811 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:50,811 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:50,811 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,811 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:50,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,812 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,812 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,812 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:50,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:50,812 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:50,828 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,829 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,829 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:50,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:50,829 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,829 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:50,829 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:50,829 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:50,829 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,829 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:50,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,830 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,831 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,831 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:50,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:50,831 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:50,847 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,848 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,848 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:50,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:50,848 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,848 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:50,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,850 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,850 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,850 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:50,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:50,850 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:50,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,867 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,867 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:50,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:50,867 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,867 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:50,867 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:50,867 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:50,867 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,867 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:50,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,869 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,869 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,869 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:50,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:50,869 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:50,886 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,886 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,886 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:50,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:50,886 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,886 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:50,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,888 - INFO - number of orbitals:  119
-2024-12-09 10:29:50,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,888 - INFO - moving on ...
-2024-12-09 10:29:50,888 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:50,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,889 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,889 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,889 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:50,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:50,889 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:50,906 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,906 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,907 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:50,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:50,907 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,907 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:50,907 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:50,907 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:50,907 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,907 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:50,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,908 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,909 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,909 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:50,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:50,909 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:50,924 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,925 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,925 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:50,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:50,925 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,925 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:50,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,926 - INFO - number of orbitals:  135
-2024-12-09 10:29:50,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,926 - INFO - moving on ...
-2024-12-09 10:29:50,926 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:50,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,927 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,928 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:29:50,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:29:50,928 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:29:50,943 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,943 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,943 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:29:50,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:29:50,944 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,944 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:50,944 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:50,944 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:50,944 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,944 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:50,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,945 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,945 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:50,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:50,946 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:50,962 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,962 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,962 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:50,962 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:50,962 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,962 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:50,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,964 - INFO - number of orbitals:  118
-2024-12-09 10:29:50,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,964 - INFO - moving on ...
-2024-12-09 10:29:50,964 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:50,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,965 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,965 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:50,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:50,965 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:50,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,981 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,981 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:50,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:50,981 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,981 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:50,982 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:50,982 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:50,982 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,982 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:50,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,983 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,983 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,984 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:50,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:50,984 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:51,000 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,001 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,001 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:51,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:51,001 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,001 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:51,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,002 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,002 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,003 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:29:51,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:29:51,003 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:29:51,019 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,019 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,019 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:29:51,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:29:51,019 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,019 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:51,020 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:51,020 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:51,020 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,020 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:51,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,021 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,021 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,021 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:51,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:51,021 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:51,038 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,038 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,038 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:51,038 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:51,038 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,038 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:51,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,040 - INFO - number of orbitals:  110
-2024-12-09 10:29:51,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:51,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:51,040 - INFO - moving on ...
-2024-12-09 10:29:51,040 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:51,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,041 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,042 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,042 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:51,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:51,042 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:51,058 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,058 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,059 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:51,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:51,059 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,059 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:51,059 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:51,059 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:51,059 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,059 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:51,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,061 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,061 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,061 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:51,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:51,061 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:51,077 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,078 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,078 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:51,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:51,078 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,078 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:51,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,079 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,079 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 10:29:51,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 10:29:51,080 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 10:29:51,096 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,096 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,096 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 10:29:51,097 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 10:29:51,097 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,097 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:51,097 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:51,097 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:51,097 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,097 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:51,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,098 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:51,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:51,099 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:51,115 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,115 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,115 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:51,116 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:51,116 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:51,116 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,116 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:51,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,117 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,117 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,117 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:51,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:51,118 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:51,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,135 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,135 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:51,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:51,135 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,135 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:51,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,137 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,137 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,137 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 10:29:51,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 10:29:51,137 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 10:29:51,153 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,154 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,154 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 10:29:51,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 10:29:51,154 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,154 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:51,154 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:51,154 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:51,154 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,154 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:51,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,156 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,156 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,156 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:51,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:51,156 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:51,173 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,173 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,174 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:51,174 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:51,174 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:51,174 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,174 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:51,174 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,174 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,174 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,176 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,176 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,176 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:51,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:51,176 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:51,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,194 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,194 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:51,194 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,194 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,194 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,197 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,197 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,197 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:51,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:51,197 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:51,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,215 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,215 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:51,215 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,215 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,215 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,217 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,217 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,217 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:51,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:51,217 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:51,234 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,234 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,235 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:51,235 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,235 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,235 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,237 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,237 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:51,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:51,237 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:51,254 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,254 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,254 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:51,255 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:51,255 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:51,255 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,255 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:51,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,256 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,257 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,257 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:51,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:51,257 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:51,274 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,274 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,274 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:51,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:51,275 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,275 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:51,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,276 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,276 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,276 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:29:51,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:29:51,276 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:29:51,293 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,294 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,294 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:29:51,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:29:51,294 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,294 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:51,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,296 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,296 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:51,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:51,296 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:51,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,314 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,314 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:51,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:51,314 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,314 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:51,314 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:51,314 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:51,314 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,314 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:51,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,316 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,316 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:51,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:51,316 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:51,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,333 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,333 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:51,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:51,333 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,333 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:51,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,335 - INFO - number of orbitals:  110
-2024-12-09 10:29:51,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:51,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:51,335 - INFO - moving on ...
-2024-12-09 10:29:51,335 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:51,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,337 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,337 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:51,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:51,337 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:51,354 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,354 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,354 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:51,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:51,354 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,354 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:51,354 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:51,354 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:51,354 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,355 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:51,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,356 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,356 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:51,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:51,356 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:51,374 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,374 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,374 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:51,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:51,374 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,374 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:51,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,376 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,376 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,376 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:29:51,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:29:51,376 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:29:51,393 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,394 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,394 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:29:51,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:29:51,394 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,394 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:51,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,396 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,396 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,396 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:51,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:51,396 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:51,418 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,419 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,419 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:51,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:51,419 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,419 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:51,419 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:51,419 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:51,419 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,419 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:51,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,421 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,422 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,422 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:51,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:51,422 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:51,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,448 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,448 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:51,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:51,448 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,448 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:51,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,450 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,450 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,450 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 10:29:51,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 10:29:51,450 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 10:29:51,475 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,476 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,476 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 10:29:51,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 10:29:51,476 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:51,476 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:51,476 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:51,476 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,476 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:51,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,478 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,478 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,478 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:51,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:51,479 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:51,499 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,500 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,500 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:51,500 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:51,500 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:51,500 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,500 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:51,500 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,500 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,500 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,502 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,502 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:51,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:51,503 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:51,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,523 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,524 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:51,524 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,524 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,524 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,527 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,527 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,527 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:51,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:51,527 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:51,543 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,543 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,544 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:51,544 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,544 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,544 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,546 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,546 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:51,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:51,546 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:51,563 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,563 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,563 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:51,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,563 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,565 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,566 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:51,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:51,566 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:51,582 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,583 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,583 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:51,583 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,583 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,583 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,585 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,585 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,585 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:51,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:51,585 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:51,602 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,602 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,602 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:51,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,605 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,605 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:51,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:51,605 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:51,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,621 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,621 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:51,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,624 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,624 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,624 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:51,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:51,624 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:51,640 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,641 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,641 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:51,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,643 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,643 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,643 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:51,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:51,643 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:51,660 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,660 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,660 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:51,660 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,662 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,663 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,663 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:51,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:51,663 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:51,680 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,680 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,680 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:51,681 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:51,681 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:51,681 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,681 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:51,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,682 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,682 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,682 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:51,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:51,682 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:51,699 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,700 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,700 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:51,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:51,700 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,700 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:51,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,701 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,701 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,701 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 10:29:51,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 10:29:51,701 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 10:29:51,718 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,718 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,718 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 10:29:51,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 10:29:51,718 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,718 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:51,718 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:51,719 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:51,719 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,719 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:51,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,720 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,720 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,720 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:51,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:51,720 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:51,737 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,738 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,738 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:51,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:51,738 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,738 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:51,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,739 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,739 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,739 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:51,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:51,739 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:51,756 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,756 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,756 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:51,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:51,756 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,757 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:51,757 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:51,757 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:51,757 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,757 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:51,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,758 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,758 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,758 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:51,758 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:51,758 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:51,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,776 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,776 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:51,776 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:51,776 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:51,776 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,776 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:51,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,778 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,778 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,778 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:51,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:51,778 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:51,795 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,796 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,796 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:51,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:51,796 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,796 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:51,796 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:51,796 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:51,796 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,796 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:51,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,798 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,798 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,798 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:51,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:51,798 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:51,815 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,815 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,815 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:51,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:51,815 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,815 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:51,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,817 - INFO - number of orbitals:  116
-2024-12-09 10:29:51,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:51,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:51,817 - INFO - moving on ...
-2024-12-09 10:29:51,817 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:51,817 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:51,818 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:51,818 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,818 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:51,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,819 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,819 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,819 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:51,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:51,819 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:51,836 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,836 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,836 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:51,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:51,837 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,837 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:51,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,838 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,838 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,838 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:51,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:51,838 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:51,854 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,855 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,855 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:51,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:51,855 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,855 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:51,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,857 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,857 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,857 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:51,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:51,857 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:51,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,874 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,874 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:51,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:51,874 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,874 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:51,874 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:51,874 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:51,874 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,874 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:51,874 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,874 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,874 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,876 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,876 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,876 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:51,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:51,876 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:51,893 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,893 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,893 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:51,893 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,893 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,893 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,895 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,895 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,895 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:51,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:51,895 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:51,912 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,912 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,912 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:51,912 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,912 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,912 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,914 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,914 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,914 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:51,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:51,914 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:51,930 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,931 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,931 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:51,931 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,931 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,931 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,933 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,933 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,933 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:51,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:51,933 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:29:51,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,950 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,951 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:51,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,953 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,953 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,953 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:51,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:51,953 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:51,969 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,970 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,970 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:51,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,972 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,972 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:51,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:51,972 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:51,989 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,989 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,990 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:51,990 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,990 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,990 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,992 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,992 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,992 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:51,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:51,992 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:52,009 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,009 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,009 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:52,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,012 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,012 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,012 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:29:52,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:29:52,012 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:29:52,028 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,029 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,029 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:52,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,031 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,031 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:52,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:52,031 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:52,047 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,048 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,048 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:52,048 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,048 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,048 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,050 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,050 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,050 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:52,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:52,050 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:52,066 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,067 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,067 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:52,067 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,067 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,067 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,069 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,069 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,069 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:52,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:52,069 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:52,086 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,086 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,086 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:52,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,086 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,088 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,088 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,088 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:29:52,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:29:52,088 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:29:52,105 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,105 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,106 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:52,106 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:52,106 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:52,106 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,106 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:52,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,108 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,108 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,108 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:52,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:52,108 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:52,125 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,125 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,125 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:52,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:52,125 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,125 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:52,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,127 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,127 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,127 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:52,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:52,127 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:52,143 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,144 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,144 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:52,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:52,144 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,144 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:52,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,145 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,145 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:52,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:52,146 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:52,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,163 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,163 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:52,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:52,163 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,163 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:52,164 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:52,164 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:52,164 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,164 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:52,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,165 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,165 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:52,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:52,165 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:52,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,182 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,182 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:52,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:52,182 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,182 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:52,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,184 - INFO - number of orbitals:  110
-2024-12-09 10:29:52,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,184 - INFO - moving on ...
-2024-12-09 10:29:52,184 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:52,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,185 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,185 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,185 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:52,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:52,185 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:52,202 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,202 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,202 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:52,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:52,202 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,202 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:52,203 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:52,203 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:52,203 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,203 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:52,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,204 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,204 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:52,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:52,204 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:52,220 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,221 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,221 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:52,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:52,221 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,221 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:52,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,222 - INFO - number of orbitals:  110
-2024-12-09 10:29:52,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,223 - INFO - moving on ...
-2024-12-09 10:29:52,223 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:52,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,224 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,224 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,224 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:52,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:52,224 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:52,240 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,240 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,241 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:52,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:52,241 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,241 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:52,241 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:52,241 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:52,241 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,241 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:52,241 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,241 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,241 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,243 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,244 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,244 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:52,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:52,244 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:52,260 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,261 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,261 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:52,261 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,261 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,261 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,263 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,263 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,263 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:52,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:52,263 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:52,280 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,281 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,281 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:52,281 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,281 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,281 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,283 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,283 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,283 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:52,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:52,283 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:52,300 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,300 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,301 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:52,301 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,301 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,301 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,303 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,303 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,303 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:52,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:52,303 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:52,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,319 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,319 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:52,319 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,320 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,320 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,321 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,322 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,322 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:52,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:52,322 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:52,338 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,338 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,338 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:52,339 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,339 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,339 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,341 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,341 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,341 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:52,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:52,341 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:52,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,358 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,358 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:52,358 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,358 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,358 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,360 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,360 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,360 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:52,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:52,360 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:52,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,377 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,377 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:52,377 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,377 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,379 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,379 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,379 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:52,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:52,380 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:52,396 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,396 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,396 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:52,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,398 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,398 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,398 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:52,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:52,398 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:52,415 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,416 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,416 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:52,416 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:52,416 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:52,416 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,416 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:52,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,418 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,418 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,418 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:52,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:52,418 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:52,435 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,435 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,435 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:52,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:52,435 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,435 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:52,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,437 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,437 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,437 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 10:29:52,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 10:29:52,437 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 10:29:52,456 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,457 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,457 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 10:29:52,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 10:29:52,457 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,457 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:52,457 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:52,457 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:52,457 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,457 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:52,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,459 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,459 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,459 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:29:52,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:29:52,459 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:29:52,476 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,476 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,476 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:29:52,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:29:52,476 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:52,476 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:52,476 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:52,477 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,477 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:52,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,478 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,478 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,478 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:52,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:52,478 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:52,495 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,496 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,496 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:52,496 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:52,496 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:52,496 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,496 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:52,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,498 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,498 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,498 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:52,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:52,498 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:52,515 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,515 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,515 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:52,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:52,516 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,516 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:52,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,517 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,517 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:52,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:52,517 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:52,534 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,534 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,534 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:52,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:52,535 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,535 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:52,535 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:52,535 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:52,535 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,535 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:52,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,536 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,536 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,536 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:52,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:52,536 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:52,553 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,553 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,553 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:52,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:52,553 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,553 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:52,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,555 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,555 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,555 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 10:29:52,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 10:29:52,555 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 10:29:52,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,572 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,572 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 10:29:52,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 10:29:52,572 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,572 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:52,572 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:52,572 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:52,572 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,572 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:52,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,574 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,574 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,574 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:52,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:52,574 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:52,590 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,590 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,590 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:52,591 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:52,591 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:52,591 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,591 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:52,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,592 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,592 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:52,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:52,592 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:52,608 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,609 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,609 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:52,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:52,609 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,609 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:52,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,611 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,611 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,611 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 10:29:52,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 10:29:52,611 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 10:29:52,628 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,628 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,628 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 10:29:52,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 10:29:52,628 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,628 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:52,628 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:52,628 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:52,628 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,628 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:52,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,630 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,630 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,630 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:52,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:52,630 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:52,647 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,647 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,647 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:52,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:52,647 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,647 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:52,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,649 - INFO - number of orbitals:  106
-2024-12-09 10:29:52,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,649 - INFO - moving on ...
-2024-12-09 10:29:52,649 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:52,649 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:52,649 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:52,649 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,649 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:52,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,650 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,650 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:52,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:52,651 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:52,666 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,666 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,666 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:52,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:52,667 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,667 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:52,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,668 - INFO - number of orbitals:  118
-2024-12-09 10:29:52,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,668 - INFO - moving on ...
-2024-12-09 10:29:52,668 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:52,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,669 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,669 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,669 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:52,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:52,669 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:52,686 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,686 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,686 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:52,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:52,686 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,686 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:52,687 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:52,687 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:52,687 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,687 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:52,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,688 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,688 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,688 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:52,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:52,689 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:52,706 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,706 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,706 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:52,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:52,706 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,706 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:52,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,708 - INFO - number of orbitals:  114
-2024-12-09 10:29:52,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,708 - INFO - moving on ...
-2024-12-09 10:29:52,708 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:52,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,709 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,709 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,709 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:52,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:52,709 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:52,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,726 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,726 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:52,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:52,726 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,726 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:52,726 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:52,726 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:52,726 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,726 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:52,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,728 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,728 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,728 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:52,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:52,728 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:52,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,745 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,745 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:52,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:52,745 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,745 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:52,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,746 - INFO - number of orbitals:  115
-2024-12-09 10:29:52,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,746 - INFO - moving on ...
-2024-12-09 10:29:52,746 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:52,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,748 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,748 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,748 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:52,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:52,748 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:52,763 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,764 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,764 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:52,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:52,764 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,764 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:52,764 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:52,764 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:52,764 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,764 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:52,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,765 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,766 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,766 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:52,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:52,766 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:52,781 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,782 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,782 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:52,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:52,782 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,782 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:52,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,783 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,784 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,784 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:29:52,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:29:52,784 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:29:52,800 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,800 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,800 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:29:52,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:29:52,800 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,800 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:52,800 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:52,800 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:52,801 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,801 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:52,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,802 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,802 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,802 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:52,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:52,802 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:52,818 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,819 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,819 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:52,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:52,819 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,819 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:52,819 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:52,819 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:52,819 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,819 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:52,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,821 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,821 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,821 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:52,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:52,821 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:52,837 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,838 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,838 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:52,838 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:52,838 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:52,838 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,838 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:52,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,839 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,839 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,839 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:52,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:52,839 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:52,855 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,855 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,855 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:52,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:52,855 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,855 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:52,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,856 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,857 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,857 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 10:29:52,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 10:29:52,857 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 10:29:52,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,873 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,873 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 10:29:52,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 10:29:52,873 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,873 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:52,874 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:52,874 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:52,874 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,874 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:52,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,875 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,875 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:52,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:52,875 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:52,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,892 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,892 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:52,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:52,892 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,892 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:52,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,893 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,893 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 10:29:52,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 10:29:52,893 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 10:29:52,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,909 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,909 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 10:29:52,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 10:29:52,910 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,910 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:52,910 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:52,910 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:52,910 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,910 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:52,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,911 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,911 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:52,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:52,911 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:52,927 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,928 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,928 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:52,928 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:52,928 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:52,928 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,928 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:52,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,930 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,930 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:52,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:52,930 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:52,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,947 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,947 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:52,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:52,947 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,947 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:52,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,949 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,949 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 10:29:52,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 10:29:52,949 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 10:29:52,965 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,965 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,965 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 10:29:52,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 10:29:52,965 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,965 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:52,965 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:52,965 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:52,966 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,966 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:52,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,967 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,967 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,967 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:29:52,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:29:52,968 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:29:52,985 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,985 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,985 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:29:52,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:29:52,985 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,985 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:52,985 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:52,986 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:52,986 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,986 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:52,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,987 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,987 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,987 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:52,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:52,987 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:53,003 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,003 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,004 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:53,004 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:53,004 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:53,004 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,004 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:53,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,005 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,005 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,005 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:53,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:53,006 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:53,022 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,023 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,023 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:53,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:53,023 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,023 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:53,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,024 - INFO - number of orbitals:  116
-2024-12-09 10:29:53,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,024 - INFO - moving on ...
-2024-12-09 10:29:53,025 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:53,025 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:53,025 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:53,025 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,025 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:53,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,026 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,026 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,026 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:53,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:53,026 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:53,042 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,043 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,043 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:53,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:53,043 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,043 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:53,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,045 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,045 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 10:29:53,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 10:29:53,045 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 10:29:53,061 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,062 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,062 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 10:29:53,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 10:29:53,062 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,062 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:53,062 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:53,062 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:53,062 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,062 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:53,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,063 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,064 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,064 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:53,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:53,064 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:53,080 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,080 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,080 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:53,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:53,080 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,080 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:53,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,082 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,082 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,082 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 10:29:53,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 10:29:53,082 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 10:29:53,099 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,099 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,099 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 10:29:53,099 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 10:29:53,099 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,099 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:53,099 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:53,099 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:53,099 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,100 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:53,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,101 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,101 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:53,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:53,101 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:53,118 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,118 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,118 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:53,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:53,118 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,118 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:53,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,120 - INFO - number of orbitals:  110
-2024-12-09 10:29:53,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,120 - INFO - moving on ...
-2024-12-09 10:29:53,120 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:53,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,121 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,121 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,121 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:53,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:53,121 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:53,137 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,138 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,138 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:53,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:53,138 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,138 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:53,138 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:53,138 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:53,138 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,138 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:53,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,140 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,140 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,140 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:53,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:53,140 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:53,156 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,156 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,157 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:53,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:53,157 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,157 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:53,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,158 - INFO - number of orbitals:  135
-2024-12-09 10:29:53,158 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,158 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,158 - INFO - moving on ...
-2024-12-09 10:29:53,158 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:53,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,160 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,160 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 10:29:53,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 10:29:53,160 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,176 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,176 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,176 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 10:29:53,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 10:29:53,176 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,176 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:53,177 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:53,177 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:53,177 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,177 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:53,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,178 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,178 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,178 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:53,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:53,178 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:53,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,195 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,195 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:53,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:53,195 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,196 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:53,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,197 - INFO - number of orbitals:  119
-2024-12-09 10:29:53,197 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,197 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,197 - INFO - moving on ...
-2024-12-09 10:29:53,197 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:53,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,199 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,199 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,199 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:53,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:53,199 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:53,215 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,216 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,216 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:53,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:53,216 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,216 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:53,216 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:53,216 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:53,216 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,216 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:53,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,218 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,218 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:53,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:53,218 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:53,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,235 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,235 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:53,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:53,235 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,235 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:53,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,237 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,237 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:53,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:53,237 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:53,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,253 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,253 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:53,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:53,253 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,253 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:53,254 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:53,254 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:53,254 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,254 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:53,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,255 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,255 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:53,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:53,255 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:53,271 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,272 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,272 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:53,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:53,272 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,272 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:53,272 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:53,272 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:53,272 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,272 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:53,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,274 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,274 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,274 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:53,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:53,274 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:53,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,290 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,290 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:53,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:53,290 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,290 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:53,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,292 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,292 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 10:29:53,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 10:29:53,292 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 10:29:53,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,309 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,309 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 10:29:53,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 10:29:53,309 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,309 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:53,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,310 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,310 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,310 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:53,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:53,311 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,326 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,327 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,327 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:53,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:53,327 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,327 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:53,327 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:53,327 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:53,327 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,327 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:53,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,329 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,329 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,329 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:53,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:53,329 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:53,345 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,345 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,346 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:53,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:53,346 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,346 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:53,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,347 - INFO - number of orbitals:  94
-2024-12-09 10:29:53,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,347 - INFO - moving on ...
-2024-12-09 10:29:53,347 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:53,347 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:53,348 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:53,348 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,348 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:53,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,349 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,349 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,349 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:53,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:53,349 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:53,365 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,366 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,366 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:53,366 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:53,366 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:53,366 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,366 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:53,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,367 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,368 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,368 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:53,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:53,368 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:53,384 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,384 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,384 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:53,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:53,384 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,384 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:53,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,386 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,386 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,386 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:29:53,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:29:53,386 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:29:53,402 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,403 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,403 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:29:53,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:29:53,403 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,403 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:53,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,404 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,404 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,404 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:53,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:53,404 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:53,422 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,422 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,423 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:53,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:53,423 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,423 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:53,423 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:53,423 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:53,423 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,423 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:53,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,424 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,424 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,426 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,426 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,426 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:53,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:53,426 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:53,443 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,443 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,443 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:53,443 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,444 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,444 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,446 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,446 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,446 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:53,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:53,446 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:53,463 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,463 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,463 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:53,464 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,464 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,464 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,466 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,466 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,466 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 10:29:53,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 10:29:53,466 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,483 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,483 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,483 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:53,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,485 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,485 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:53,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:53,485 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:53,502 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,502 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,502 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:53,502 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,502 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,502 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,504 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,504 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,504 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:53,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:53,505 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:53,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,521 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,521 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:53,521 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,521 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,521 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,523 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,523 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,523 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 10:29:53,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 10:29:53,523 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 10:29:53,540 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,540 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,540 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:53,540 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:53,540 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:53,540 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,540 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:53,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,542 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,542 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,542 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:53,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:53,542 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:53,558 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,559 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,559 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:53,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:53,559 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,559 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:53,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,560 - INFO - number of orbitals:  115
-2024-12-09 10:29:53,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,560 - INFO - moving on ...
-2024-12-09 10:29:53,560 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:53,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,562 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,562 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:53,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:53,562 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:53,578 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,578 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,578 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:53,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:53,578 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,579 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:53,579 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:53,579 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:53,579 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,579 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:53,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,580 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,580 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,580 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:29:53,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:29:53,580 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:29:53,596 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,596 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,596 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:29:53,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:29:53,596 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,596 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:53,597 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:53,597 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:53,597 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,597 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:53,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,598 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,598 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,598 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:53,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:53,598 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:53,614 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,614 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,614 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:53,615 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:53,615 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:53,615 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,615 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:53,615 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,615 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,615 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,617 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,617 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,617 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:53,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:53,617 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:53,633 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,634 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,634 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:53,634 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,634 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,634 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,636 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,636 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,636 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:53,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:53,636 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:53,653 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,653 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,653 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:53,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,656 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,656 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,656 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:53,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:53,656 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:53,673 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,674 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,674 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:53,674 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,674 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,674 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,676 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,676 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,676 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:53,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:53,676 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:53,692 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,693 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,693 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:53,693 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,693 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,693 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,695 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,695 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,695 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:53,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:53,695 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:53,712 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,712 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,713 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:53,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,713 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,713 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,715 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,715 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:53,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:53,715 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:53,732 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,732 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,732 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:53,732 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:53,733 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:53,733 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,733 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:53,733 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,735 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,735 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:53,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:53,735 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,753 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,753 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,753 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:53,753 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,753 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,753 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,755 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,756 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,756 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:53,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:53,756 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:53,774 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,774 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,774 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:53,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,778 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,778 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:53,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:53,778 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:53,798 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,799 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,799 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:53,799 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:53,799 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:53,799 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,799 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:53,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,801 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,801 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,801 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:29:53,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:29:53,801 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:29:53,818 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,819 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,819 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:29:53,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:29:53,819 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,819 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:53,819 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:53,819 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:53,820 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,820 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:53,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,820 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,822 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,822 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:53,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:53,822 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:53,844 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,844 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,845 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:53,845 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,845 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,847 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,847 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,847 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:53,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:53,848 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:53,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,872 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,872 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:53,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,875 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,875 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:53,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:53,875 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:53,893 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,894 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,894 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:53,894 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,894 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,894 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,897 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,897 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,897 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:53,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:53,897 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,916 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,917 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,917 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:53,917 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,919 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,919 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,919 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:53,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:53,919 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:53,935 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,935 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,935 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:53,935 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,936 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,936 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,938 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,938 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,938 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:53,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:53,938 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:53,956 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,957 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,957 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:53,957 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,957 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,957 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,959 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,960 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,960 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:53,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:53,960 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:53,979 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,979 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,979 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:53,979 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,979 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,982 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,982 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,982 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:53,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:53,982 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:53,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,999 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,999 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:53,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,000 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,000 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,002 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,002 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,002 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:54,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:54,002 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:54,019 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,019 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,019 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:54,019 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,020 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,020 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,022 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,022 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,022 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:54,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:54,022 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:54,038 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,039 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,039 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:54,039 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,039 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,039 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,041 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,041 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,041 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:54,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:54,041 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:54,058 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,059 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,059 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:54,059 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,059 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,061 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,061 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,061 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:54,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:54,062 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:54,079 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,079 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,079 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:54,079 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,079 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,080 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,081 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,081 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,082 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:54,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:54,082 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:54,098 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,098 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,098 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:54,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,100 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,101 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,101 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:54,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:54,101 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:54,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,117 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,117 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:54,117 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,117 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,119 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,119 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,120 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:54,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:54,120 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:54,137 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,137 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,137 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:54,137 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,137 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,137 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,139 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,139 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,139 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:54,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:54,139 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:54,156 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,156 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,156 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:54,157 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:54,157 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:54,157 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,157 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:54,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,159 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,159 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:54,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:54,159 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:54,175 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,175 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,175 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:54,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:54,175 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,175 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:54,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,177 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,177 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,177 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 10:29:54,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 10:29:54,177 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 10:29:54,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,194 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,194 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 10:29:54,194 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 10:29:54,194 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,194 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:54,194 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:54,194 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:54,194 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,194 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:54,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,196 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,196 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,196 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:54,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:54,196 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:54,212 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,212 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,213 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:54,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:54,213 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,213 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:54,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,214 - INFO - number of orbitals:  118
-2024-12-09 10:29:54,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:54,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:54,214 - INFO - moving on ...
-2024-12-09 10:29:54,214 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:54,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,215 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,216 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,216 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:54,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:54,216 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:54,232 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,233 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,233 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:54,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:54,233 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,233 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:54,233 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:54,233 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:54,233 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,233 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:54,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,235 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,235 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,235 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:54,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:54,235 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:54,252 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,253 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,253 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:54,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:54,253 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,253 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:54,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,255 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,255 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:29:54,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:29:54,255 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:29:54,273 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,274 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,274 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:29:54,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:29:54,274 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,274 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:54,274 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:54,274 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:54,274 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,274 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:54,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,276 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,277 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,277 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:54,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:54,277 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,300 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,300 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:54,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:54,300 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,300 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:54,301 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:54,301 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:54,301 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,301 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:54,301 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,301 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,301 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,304 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,304 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,304 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:54,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:54,304 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:54,321 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,322 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,322 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:54,322 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,322 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,322 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,324 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,324 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,325 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:54,325 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:54,325 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:54,341 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,342 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,342 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:54,342 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,342 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,342 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,344 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,344 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,344 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:54,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:54,344 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,361 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,361 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,361 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:54,361 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,361 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,362 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,363 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,364 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,364 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:54,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:54,364 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,387 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,387 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,387 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:54,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,391 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,391 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:54,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:54,391 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:54,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,410 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,410 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:54,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,413 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,413 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:54,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:54,413 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:54,431 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,431 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,431 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:54,431 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,431 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,431 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,433 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,433 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:54,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:54,434 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:54,450 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,451 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,451 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:54,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,453 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,453 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:54,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:54,453 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:54,471 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,471 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,471 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:54,471 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,474 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,474 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,474 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:54,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:54,474 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:54,490 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,490 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,490 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:54,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,493 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,493 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,493 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:54,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:54,493 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:54,509 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,510 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,510 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:54,510 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,510 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,510 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,512 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,512 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,512 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:54,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:54,512 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,529 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,529 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,529 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:54,529 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,529 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,529 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,531 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,531 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,531 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:54,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:54,532 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:54,548 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,548 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,548 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:54,549 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:54,549 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:54,549 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,549 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:54,549 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,549 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,549 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,551 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,551 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,551 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:54,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:54,551 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:54,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,567 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,568 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:54,568 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,568 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,570 - INFO - number of orbitals:  108
-2024-12-09 10:29:54,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:54,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:54,570 - INFO - moving on ...
-2024-12-09 10:29:54,570 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:54,570 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:54,570 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:54,570 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,570 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:54,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,572 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,572 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:54,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:54,572 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:54,588 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,588 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,588 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:54,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:54,588 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,588 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:54,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,590 - INFO - number of orbitals:  135
-2024-12-09 10:29:54,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:54,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:54,590 - INFO - moving on ...
-2024-12-09 10:29:54,590 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:54,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,591 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,591 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,591 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:29:54,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:29:54,591 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:29:54,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,607 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,607 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:29:54,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:29:54,607 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,607 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:54,608 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:54,608 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:54,608 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,608 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:54,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,609 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,609 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:54,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:54,609 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:54,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,626 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,626 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:54,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:54,626 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,626 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:54,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,628 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,628 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:29:54,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:29:54,628 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:29:54,644 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,644 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,644 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:29:54,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:29:54,644 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,644 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:54,644 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:54,644 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:54,644 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,645 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:54,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,646 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,646 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,646 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:54,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:54,646 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:54,662 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,662 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,662 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:54,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:54,663 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,663 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:54,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,664 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,664 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,664 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:29:54,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:29:54,664 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:29:54,680 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,681 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,681 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:29:54,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:29:54,681 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,681 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:54,682 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:54,682 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:54,682 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,682 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:54,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,684 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,684 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,684 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:54,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:54,684 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:54,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,702 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,702 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:54,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:54,703 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,703 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:54,703 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:54,703 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:54,703 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,703 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:54,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,704 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,704 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,705 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:54,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:54,705 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:54,720 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,721 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,721 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:54,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:54,721 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,721 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:54,721 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:54,721 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:54,721 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,721 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:54,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,723 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,723 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,723 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:54,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:54,723 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:54,739 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,740 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,740 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:54,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:54,740 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,740 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:54,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,742 - INFO - number of orbitals:  118
-2024-12-09 10:29:54,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:54,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:54,742 - INFO - moving on ...
-2024-12-09 10:29:54,742 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:54,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,743 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,743 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,743 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:54,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:54,743 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:54,758 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,759 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,759 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:54,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:54,759 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,759 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:54,759 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:54,759 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:54,759 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,759 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:54,759 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,760 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,760 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,761 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,762 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,762 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:54,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:54,762 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,778 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,778 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,778 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:54,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,781 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,781 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,781 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:54,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:54,781 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:54,797 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,797 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,798 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:54,798 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,798 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,798 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,800 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,800 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,800 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:54,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:54,800 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:54,816 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,817 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,817 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:54,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,817 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,817 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,819 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,819 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,819 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:54,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:54,819 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,835 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,836 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,836 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:54,836 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,836 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,836 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,838 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,838 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,838 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:54,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:54,838 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:54,854 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,855 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,855 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:54,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,855 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,855 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,857 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,857 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,857 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:54,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:54,857 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:54,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,873 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,874 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:54,874 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,874 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,874 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,876 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,876 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,876 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:54,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:54,876 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:54,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,892 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,892 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:54,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,894 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,894 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:54,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:54,894 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:54,912 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,912 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,912 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:54,913 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:54,913 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:54,913 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,913 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:54,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,915 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,915 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,915 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:54,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:54,915 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:54,938 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,938 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,939 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:54,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:54,939 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,939 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:54,939 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:54,939 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:54,939 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,939 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:54,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,941 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,941 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,941 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:54,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:54,941 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:54,964 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,964 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,964 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:54,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:54,965 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,965 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:54,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,967 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,967 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,967 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:54,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:54,967 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:54,990 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,990 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,991 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:54,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:54,991 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,991 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:54,991 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:54,991 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:54,991 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,991 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:54,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,994 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,994 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:54,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:54,994 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:55,010 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,011 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,011 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:55,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:55,011 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,011 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:55,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,012 - INFO - number of orbitals:  119
-2024-12-09 10:29:55,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,012 - INFO - moving on ...
-2024-12-09 10:29:55,012 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:55,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,014 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,014 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,014 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:55,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:55,014 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:55,030 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,031 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,031 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:55,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:55,031 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,031 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:55,031 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:55,031 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:55,031 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,031 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:55,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,033 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,033 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,033 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:55,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:55,033 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:55,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,049 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,049 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:55,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:55,049 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,049 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:55,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,050 - INFO - number of orbitals:  135
-2024-12-09 10:29:55,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,050 - INFO - moving on ...
-2024-12-09 10:29:55,051 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:55,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,052 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,052 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,052 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:29:55,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:29:55,052 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:29:55,068 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,068 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,068 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:29:55,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:29:55,068 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,068 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:55,068 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:55,069 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:55,069 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,069 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:55,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,070 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,070 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,070 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:55,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:55,070 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:55,086 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,087 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,087 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:55,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:55,087 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,087 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:55,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,089 - INFO - number of orbitals:  118
-2024-12-09 10:29:55,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,089 - INFO - moving on ...
-2024-12-09 10:29:55,089 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:55,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,090 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,090 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:55,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:55,090 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:55,107 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,107 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,107 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:55,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:55,107 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,107 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:55,107 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:55,107 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:55,107 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,107 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:55,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,109 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,109 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,109 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:55,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:55,109 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:55,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,127 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,127 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:55,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:55,127 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,127 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:55,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,129 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,129 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:29:55,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:29:55,129 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:29:55,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,145 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,145 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:29:55,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:29:55,146 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,146 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:55,146 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:55,146 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:55,146 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,146 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:55,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,147 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,147 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,147 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:55,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:55,147 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:55,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,163 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,163 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:55,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:55,163 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,164 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:55,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,165 - INFO - number of orbitals:  110
-2024-12-09 10:29:55,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,165 - INFO - moving on ...
-2024-12-09 10:29:55,165 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:55,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,166 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,166 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,166 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:55,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:55,166 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:55,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,182 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,182 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:55,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:55,182 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,182 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:55,182 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:55,183 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:55,183 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,183 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:55,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,184 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,184 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,184 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:55,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:55,184 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:55,200 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,201 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,201 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:55,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:55,201 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,201 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:55,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,202 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,202 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,202 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 10:29:55,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 10:29:55,203 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 10:29:55,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,219 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,219 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 10:29:55,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 10:29:55,220 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,220 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:55,220 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:55,220 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:55,220 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,220 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:55,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,221 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,221 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,222 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:55,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:55,222 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:55,238 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,238 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,239 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:55,239 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:55,239 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:55,239 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,239 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:55,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,240 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,240 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:55,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:55,240 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:55,256 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,257 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,257 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:55,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:55,257 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,257 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:55,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,259 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,259 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,259 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 10:29:55,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 10:29:55,259 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 10:29:55,276 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,276 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,276 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 10:29:55,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 10:29:55,276 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,276 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:55,277 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:55,277 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:55,277 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,277 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:55,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,278 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,278 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:55,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:55,278 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:55,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,296 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,296 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:55,296 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:55,296 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:55,296 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,296 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:55,296 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,296 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,296 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,299 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,299 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:55,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:55,299 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:55,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,319 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,319 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:55,319 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,320 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,320 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,322 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,322 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,322 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:55,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:55,323 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:55,344 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,344 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,344 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:55,344 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,344 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,345 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,347 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,347 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,347 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:55,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:55,347 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:55,367 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,367 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,368 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:55,368 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,368 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,368 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,371 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,371 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,371 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:55,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:55,371 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:55,394 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,395 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,395 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:55,395 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:55,395 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:55,395 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,395 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:55,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,397 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,397 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,397 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:55,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:55,397 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:55,414 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,415 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,415 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:55,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:55,415 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,415 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:55,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,416 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,417 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,417 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:29:55,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:29:55,417 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:29:55,433 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,434 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,434 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:29:55,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:29:55,434 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,434 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:55,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,435 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,435 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,435 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:55,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:55,436 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:55,454 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,455 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,455 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:55,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:55,455 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,455 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:55,455 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:55,455 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:55,455 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,455 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:55,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,456 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,457 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,457 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:55,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:55,457 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:55,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,473 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,473 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:55,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:55,473 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,473 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:55,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,474 - INFO - number of orbitals:  110
-2024-12-09 10:29:55,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,474 - INFO - moving on ...
-2024-12-09 10:29:55,474 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:55,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,475 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,476 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,476 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:55,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:55,476 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:55,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,492 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,492 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:55,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:55,492 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,492 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:55,492 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:55,492 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:55,492 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,492 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:55,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,494 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,494 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,494 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:55,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:55,494 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:55,510 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,511 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,511 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:55,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:55,511 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,511 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:55,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,512 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,512 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,513 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:29:55,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:29:55,513 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:29:55,529 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,529 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,529 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:29:55,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:29:55,530 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,530 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:55,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,531 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,531 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,531 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:55,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:55,531 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:55,548 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,548 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,548 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:55,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:55,548 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,548 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:55,549 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:55,549 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:55,549 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,549 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:55,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,550 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,550 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,550 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:55,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:55,550 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:55,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,567 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,567 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:55,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:55,567 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,567 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:55,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,569 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,569 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,569 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 10:29:55,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 10:29:55,569 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 10:29:55,585 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,586 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,586 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 10:29:55,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 10:29:55,586 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,586 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:55,586 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:55,586 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:55,586 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,586 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:55,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,588 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,588 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,588 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:55,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:55,588 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:55,604 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,604 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,604 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:55,605 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:55,605 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:55,605 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,605 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:55,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,605 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,605 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,607 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,607 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,607 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:55,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:55,607 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:55,623 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,624 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,624 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:55,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,626 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,626 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,626 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:55,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:55,626 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:55,642 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,643 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,643 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:55,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,645 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,645 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,645 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:55,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:55,645 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:55,661 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,662 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,662 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:55,662 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,662 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,662 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,664 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,664 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,664 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:55,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:55,664 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:55,680 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,680 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,680 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:55,681 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,681 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,681 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,683 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,683 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,683 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:55,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:55,683 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:55,699 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,699 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,699 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:55,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,701 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,702 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,702 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:55,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:55,702 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:55,718 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,718 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,718 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:55,718 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,720 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,720 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,720 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:55,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:55,721 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:55,737 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,738 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,738 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:55,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,738 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,738 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,740 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,740 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,740 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:55,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:55,740 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:55,756 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,757 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,757 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:55,757 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,757 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,757 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,759 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,759 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,759 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:55,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:55,759 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:55,775 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,776 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,776 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:55,776 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:55,776 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:55,776 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,776 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:55,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,778 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,778 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,778 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:55,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:55,778 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:55,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,794 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,794 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:55,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:55,794 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,794 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:55,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,796 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,796 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,796 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 10:29:55,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 10:29:55,796 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 10:29:55,812 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,812 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,812 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 10:29:55,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 10:29:55,812 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,812 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:55,812 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:55,812 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:55,812 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,812 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:55,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,814 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,814 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,814 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:55,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:55,814 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:55,830 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,831 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,831 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:55,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:55,831 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,831 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:55,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,832 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,832 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,832 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:55,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:55,832 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:55,848 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,849 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,849 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:55,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:55,849 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,849 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:55,849 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:55,849 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:55,849 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,849 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:55,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,851 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,851 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,851 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:55,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:55,851 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:55,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,867 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,867 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:55,867 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:55,867 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:55,867 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,867 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:55,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,868 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,868 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:55,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:55,869 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:55,885 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,885 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,885 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:55,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:55,885 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,885 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:55,885 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:55,885 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:55,886 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,886 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:55,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,887 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,887 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,887 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:55,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:55,887 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:55,902 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,903 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,903 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:55,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:55,903 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,903 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:55,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,904 - INFO - number of orbitals:  116
-2024-12-09 10:29:55,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,905 - INFO - moving on ...
-2024-12-09 10:29:55,905 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:55,905 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:55,905 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:55,905 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,905 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:55,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,906 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,906 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,906 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:55,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:55,906 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:55,923 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,923 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,924 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:55,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:55,924 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,924 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:55,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,925 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,925 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,925 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:55,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:55,925 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:55,941 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,942 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,942 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:55,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:55,942 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,942 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:55,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,943 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,943 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,943 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:55,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:55,943 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:55,958 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,958 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,959 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:55,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:55,959 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,959 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:55,959 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:55,959 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:55,959 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,959 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:55,959 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,959 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,959 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,961 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,961 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,961 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:55,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:55,961 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:55,976 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,977 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,977 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:55,977 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,977 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,977 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,979 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,979 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,979 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:55,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:55,979 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:55,995 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,995 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,995 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:55,995 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,996 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,996 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,997 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,998 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,998 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:55,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:55,998 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:56,014 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,014 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,014 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:56,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,016 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,017 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,017 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:56,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:56,017 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:29:56,033 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,033 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,033 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:56,033 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,034 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,034 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,035 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,035 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,035 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:56,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:56,036 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:56,051 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,052 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,052 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:56,052 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,054 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,054 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,054 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:56,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:56,055 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:56,070 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,071 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,071 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:56,071 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,071 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,071 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,073 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,073 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,073 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:56,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:56,073 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:56,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,089 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,089 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:56,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,091 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,091 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:29:56,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:29:56,091 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:29:56,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,106 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,106 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:56,107 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,107 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,107 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,108 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,109 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,109 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:56,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:56,109 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:56,123 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,124 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,124 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:56,124 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,124 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,124 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,126 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,126 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,126 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:56,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:56,126 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:56,142 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,142 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,142 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:56,142 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,142 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,142 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,144 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,144 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,144 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:56,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:56,144 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:56,160 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,160 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,160 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:56,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,162 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,162 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,162 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:29:56,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:29:56,162 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:29:56,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,178 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,178 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:56,178 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:56,178 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:56,178 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,178 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:56,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,179 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,179 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,180 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:56,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:56,180 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:56,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,196 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,196 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:56,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:56,196 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,196 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:56,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,197 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,197 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,197 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:56,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:56,198 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:56,212 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,213 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,213 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:56,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:56,213 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,213 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:56,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,214 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,215 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,215 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:56,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:56,215 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:56,231 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,231 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,231 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:56,231 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:56,231 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,231 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:56,232 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:56,232 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:56,232 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,232 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:56,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,233 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,233 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,233 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:56,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:56,233 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:56,249 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,249 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,249 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:56,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:56,249 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,249 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:56,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,251 - INFO - number of orbitals:  110
-2024-12-09 10:29:56,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,251 - INFO - moving on ...
-2024-12-09 10:29:56,251 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:56,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,252 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,252 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,252 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:56,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:56,253 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:56,269 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,269 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,269 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:56,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:56,269 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,269 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:56,269 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:56,269 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:56,269 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,269 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:56,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,271 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,271 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,271 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:56,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:56,271 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:56,287 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,287 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,287 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:56,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:56,287 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,287 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:56,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,289 - INFO - number of orbitals:  110
-2024-12-09 10:29:56,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,289 - INFO - moving on ...
-2024-12-09 10:29:56,289 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:56,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,290 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,290 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,290 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:56,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:56,290 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:56,306 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,307 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,307 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:56,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:56,307 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,307 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:56,307 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:56,307 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:56,307 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,307 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:56,307 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,307 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,307 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,309 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,309 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,309 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:56,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:56,309 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:56,325 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,326 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,326 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:56,326 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,326 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,326 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,328 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,328 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,328 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:56,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:56,328 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:56,344 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,345 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,345 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:56,345 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,345 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,345 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,347 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,347 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,347 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:56,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:56,347 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:56,363 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,363 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,364 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:56,364 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,364 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,364 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,366 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,366 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,366 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:56,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:56,366 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:56,383 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,383 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,383 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:56,383 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,383 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,383 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,385 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,385 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,385 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:56,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:56,386 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:56,402 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,402 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,402 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:56,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,404 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,404 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,404 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:56,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:56,405 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:56,421 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,421 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,421 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:56,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,422 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,422 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,423 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,423 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,423 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:56,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:56,424 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:56,440 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,440 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,440 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:56,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,441 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,441 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,443 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,443 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:56,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:56,443 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:56,459 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,459 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,459 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:56,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,461 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,462 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,462 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:56,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:56,462 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:56,478 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,479 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,479 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:56,479 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:56,479 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:56,479 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,479 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:56,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,481 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,481 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,481 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:56,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:56,481 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:56,497 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,498 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,498 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:56,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:56,498 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,498 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:56,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,499 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,499 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,499 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 10:29:56,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 10:29:56,499 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 10:29:56,516 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,516 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,516 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 10:29:56,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 10:29:56,516 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,516 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:56,516 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:56,516 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:56,516 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,516 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:56,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,518 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,518 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,518 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:29:56,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:29:56,518 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:29:56,535 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,535 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,535 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:29:56,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:29:56,535 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,535 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:56,535 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:56,535 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:56,535 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,535 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:56,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,537 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,537 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,537 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:56,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:56,537 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:56,553 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,553 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,553 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:56,554 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:56,554 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:56,554 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,554 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:56,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,555 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,555 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,555 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:56,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:56,555 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:56,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,571 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,571 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:56,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:56,571 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,571 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:56,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,573 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,573 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:56,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:56,573 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:56,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,589 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,589 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:56,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:56,589 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,589 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:56,589 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:56,590 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:56,590 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,590 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:56,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,591 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,591 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,591 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:56,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:56,591 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:56,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,608 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,608 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:56,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:56,608 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,608 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:56,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,609 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,609 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 10:29:56,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 10:29:56,609 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 10:29:56,625 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,626 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,626 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 10:29:56,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 10:29:56,626 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,626 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:56,626 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:56,626 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:56,626 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,626 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:56,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,628 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,628 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:56,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:56,628 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:56,643 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,644 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,644 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:56,644 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:56,644 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:56,644 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,644 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:56,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,646 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,646 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,646 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:56,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:56,646 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:56,662 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,662 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,662 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:56,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:56,662 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,662 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:56,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,664 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,664 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,664 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 10:29:56,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 10:29:56,664 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 10:29:56,681 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,681 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,681 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 10:29:56,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 10:29:56,681 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,681 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:56,681 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:56,682 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:56,682 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,682 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:56,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,683 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,683 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,683 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:56,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:56,683 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:56,700 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,701 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,701 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:56,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:56,701 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,701 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:56,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,703 - INFO - number of orbitals:  106
-2024-12-09 10:29:56,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,703 - INFO - moving on ...
-2024-12-09 10:29:56,703 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:56,703 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:56,703 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:56,703 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,703 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:56,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,705 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,705 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:56,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:56,705 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:56,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,722 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,722 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:56,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:56,722 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,722 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:56,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,724 - INFO - number of orbitals:  118
-2024-12-09 10:29:56,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,724 - INFO - moving on ...
-2024-12-09 10:29:56,724 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:56,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,725 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,725 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,725 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:56,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:56,725 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:56,743 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,743 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,743 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:56,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:56,743 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,743 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:56,743 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:56,744 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:56,744 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,744 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:56,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,745 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,745 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,745 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:56,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:56,746 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:56,762 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,762 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,762 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:56,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:56,762 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,762 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:56,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,764 - INFO - number of orbitals:  114
-2024-12-09 10:29:56,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,764 - INFO - moving on ...
-2024-12-09 10:29:56,764 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:56,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,765 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,765 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,765 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:56,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:56,765 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:56,781 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,782 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,782 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:56,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:56,782 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,782 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:56,782 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:56,782 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:56,782 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,782 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:56,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,784 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,784 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,784 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:56,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:56,784 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:56,800 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,801 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,801 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:56,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:56,801 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,801 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:56,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,802 - INFO - number of orbitals:  115
-2024-12-09 10:29:56,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,803 - INFO - moving on ...
-2024-12-09 10:29:56,803 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:56,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,804 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,804 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,804 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:56,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:56,804 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:56,820 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,820 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,820 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:56,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:56,820 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,820 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:56,821 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:56,821 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:56,821 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,821 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:56,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,822 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,822 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:56,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:56,822 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:56,838 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,839 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,839 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:56,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:56,839 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,839 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:56,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,840 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,840 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,840 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:29:56,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:29:56,840 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:29:56,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,857 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,857 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:29:56,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:29:56,857 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,857 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:56,858 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:56,858 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:56,858 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,858 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:56,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,859 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,859 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,859 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:56,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:56,859 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:56,875 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,876 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,876 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:56,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:56,876 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,876 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:56,876 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:56,876 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:56,876 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,876 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:56,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,878 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,878 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,878 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:56,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:56,878 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:56,894 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,895 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,895 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:56,895 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:56,895 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:56,895 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,895 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:56,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,897 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,897 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,897 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:56,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:56,897 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:56,913 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,913 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,913 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:56,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:56,914 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,914 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:56,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,915 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,915 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,915 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 10:29:56,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 10:29:56,915 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 10:29:56,931 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,932 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,932 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 10:29:56,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 10:29:56,932 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,932 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:56,932 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:56,932 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:56,932 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,932 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:56,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,934 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,934 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,934 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:56,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:56,934 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:56,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,951 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,951 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:56,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:56,951 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,951 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:56,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,953 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,953 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 10:29:56,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 10:29:56,953 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 10:29:56,969 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,969 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,969 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 10:29:56,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 10:29:56,969 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,969 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:56,970 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:56,970 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:56,970 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,970 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:56,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,971 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,971 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,971 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:56,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:56,971 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:56,987 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,988 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,988 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:56,988 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:56,988 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:56,988 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,988 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:56,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,990 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,990 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,990 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:56,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:56,990 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:57,006 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,006 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,006 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:57,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:57,007 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,007 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:57,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,008 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,008 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,008 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 10:29:57,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 10:29:57,008 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 10:29:57,025 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,025 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,026 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 10:29:57,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 10:29:57,026 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,026 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:57,026 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:57,026 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:57,026 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,026 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:57,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,028 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,028 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,028 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:29:57,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:29:57,028 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:29:57,044 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,044 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,045 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:29:57,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:29:57,045 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,045 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:57,045 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:57,045 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:57,045 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,045 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:57,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,046 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,047 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,047 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:57,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:57,047 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:57,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,063 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,063 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:57,063 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:57,063 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:57,063 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,063 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:57,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,065 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,065 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,065 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:57,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:57,065 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:57,081 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,082 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,082 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:57,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:57,082 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,082 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:57,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,084 - INFO - number of orbitals:  116
-2024-12-09 10:29:57,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,084 - INFO - moving on ...
-2024-12-09 10:29:57,084 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:57,084 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:57,084 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:57,084 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,084 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:57,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,085 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,085 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:57,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:57,086 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:57,102 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,102 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,102 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:57,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:57,102 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,103 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:57,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,104 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,104 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 10:29:57,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 10:29:57,104 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 10:29:57,120 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,120 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,121 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 10:29:57,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 10:29:57,121 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,121 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:57,121 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:57,121 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:57,121 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,121 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:57,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,123 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,123 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:57,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:57,123 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:57,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,140 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,140 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:57,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:57,140 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,140 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:57,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,142 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,142 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 10:29:57,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 10:29:57,142 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 10:29:57,158 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,158 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,158 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 10:29:57,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 10:29:57,158 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,158 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:57,158 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:57,158 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:57,158 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,158 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:57,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,160 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,160 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,160 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:57,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:57,160 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:57,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,177 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,177 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:57,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:57,178 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,178 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:57,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,179 - INFO - number of orbitals:  110
-2024-12-09 10:29:57,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,179 - INFO - moving on ...
-2024-12-09 10:29:57,179 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:57,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,181 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,181 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:57,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:57,181 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:57,197 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,198 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,198 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:57,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:57,198 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,198 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:57,198 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:57,198 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:57,198 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,198 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:57,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,200 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,200 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,200 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:57,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:57,200 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:57,216 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,216 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,217 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:57,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:57,217 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,217 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:57,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,218 - INFO - number of orbitals:  135
-2024-12-09 10:29:57,218 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,218 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,218 - INFO - moving on ...
-2024-12-09 10:29:57,218 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:57,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,219 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,219 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,220 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 10:29:57,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 10:29:57,220 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,236 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,236 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 10:29:57,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 10:29:57,236 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,236 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:57,236 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:57,237 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:57,237 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,237 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:57,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,239 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,239 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,239 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:57,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:57,239 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:57,256 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,256 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,256 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:57,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:57,256 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,256 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:57,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,258 - INFO - number of orbitals:  119
-2024-12-09 10:29:57,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,258 - INFO - moving on ...
-2024-12-09 10:29:57,258 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:57,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,259 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,259 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,259 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:57,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:57,260 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:57,276 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,276 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,276 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:57,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:57,276 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,276 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:57,277 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:57,277 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:57,277 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,277 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:57,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,278 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,278 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:57,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:57,278 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:57,294 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,295 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,295 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:57,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:57,295 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,295 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:57,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,297 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,297 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,297 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:57,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:57,297 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:57,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,313 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,314 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:57,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:57,314 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,314 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:57,314 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:57,314 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:57,314 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,314 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:57,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,315 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,315 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,315 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:57,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:57,316 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:57,331 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,331 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,332 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:57,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:57,332 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,332 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:57,332 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:57,332 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:57,332 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,332 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:57,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,333 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,333 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,333 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:57,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:57,333 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:57,350 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,350 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,350 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:57,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:57,350 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,350 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:57,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,352 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,352 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,352 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 10:29:57,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 10:29:57,352 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 10:29:57,369 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,370 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,370 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 10:29:57,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 10:29:57,370 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,370 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:57,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,372 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,372 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,372 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:57,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:57,372 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,390 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,390 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,390 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:57,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:57,390 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,390 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:57,391 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:57,391 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:57,391 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,391 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:57,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,392 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,392 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,392 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:57,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:57,393 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:57,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,409 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,409 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:57,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:57,409 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,410 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:57,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,411 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,411 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,411 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-09 10:29:57,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
-2024-12-09 10:29:57,411 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
-2024-12-09 10:29:57,428 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,428 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,428 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
-2024-12-09 10:29:57,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
-2024-12-09 10:29:57,428 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,428 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:57,429 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:57,429 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:57,429 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,429 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:57,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,430 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,430 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:57,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:57,430 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:57,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,447 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,448 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:57,448 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:57,448 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:57,448 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,448 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:57,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,450 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,450 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,450 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:57,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:57,450 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:57,466 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,466 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,467 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:57,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:57,467 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,467 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:57,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,468 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,468 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,468 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:29:57,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:29:57,468 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:29:57,484 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,485 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,485 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:29:57,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:29:57,485 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,485 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:57,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,486 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,486 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,486 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:57,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:57,486 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:57,502 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,502 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,502 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:57,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:57,503 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,503 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:57,503 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:57,503 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:57,503 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,503 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:57,503 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,503 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,503 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,505 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,505 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,505 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:57,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:57,505 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:57,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,521 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,521 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:57,521 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,521 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,521 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,523 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,523 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,523 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:57,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:57,523 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:57,540 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,540 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,540 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:57,540 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,543 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,543 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,543 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 10:29:57,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 10:29:57,543 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,559 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,559 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,559 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:57,560 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,560 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,560 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,562 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,562 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:57,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:57,562 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:57,578 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,578 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,578 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:57,578 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,578 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,578 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,580 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,580 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,580 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:57,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:57,580 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:57,597 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,597 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,597 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:57,597 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,597 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,597 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,599 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,599 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,599 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 10:29:57,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 10:29:57,599 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 10:29:57,615 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,616 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,616 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:57,616 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:57,616 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:57,616 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,616 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:57,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,618 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,618 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,618 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:57,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:57,618 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:57,634 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,634 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,634 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:57,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:57,635 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,635 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:57,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,636 - INFO - number of orbitals:  115
-2024-12-09 10:29:57,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,636 - INFO - moving on ...
-2024-12-09 10:29:57,636 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:57,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,637 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,637 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,638 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:57,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:57,638 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:57,654 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,654 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,654 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:57,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:57,654 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,654 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:57,654 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:57,654 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:57,654 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,654 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:57,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,656 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,656 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,656 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:29:57,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:29:57,656 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:29:57,672 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,672 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,672 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:29:57,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:29:57,672 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:57,672 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:57,672 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:57,672 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,672 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:57,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,674 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,674 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,674 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:57,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:57,674 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:57,689 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,690 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,690 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:57,690 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:57,690 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:57,690 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,690 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:57,690 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,690 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,690 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,692 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,692 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,692 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:57,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:57,692 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:57,709 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,709 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,709 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:57,709 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,710 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,710 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,711 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,711 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,711 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:57,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:57,712 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:57,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,727 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,727 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:57,728 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,728 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,728 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,730 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,730 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:57,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:57,730 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:57,745 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,746 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,746 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:57,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,748 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,748 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,748 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:57,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:57,748 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:57,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,765 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,765 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:57,765 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,767 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,767 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,767 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:57,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:57,767 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:57,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,783 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,784 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:57,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,786 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,786 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,786 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:57,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:57,786 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:57,802 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,802 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,803 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:57,803 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:57,803 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:57,803 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,803 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:57,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,805 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,805 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,805 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:57,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:57,805 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,821 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,821 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,822 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:57,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,823 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,824 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,824 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:57,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:57,824 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:57,839 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,840 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,840 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:57,840 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,840 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,840 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,842 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,842 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,842 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:57,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:57,842 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:57,858 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,858 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,858 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:57,859 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:57,859 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:57,859 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,859 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:57,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,860 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,860 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,860 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:29:57,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:29:57,860 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:29:57,877 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,877 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,877 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:29:57,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:29:57,877 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,877 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:57,878 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:57,878 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:57,878 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,878 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:57,878 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,878 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,878 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,880 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,880 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,880 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:57,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:57,880 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:57,897 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,897 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,897 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:57,897 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,897 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,897 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,899 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,899 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,899 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:57,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:57,899 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:57,916 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,916 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,916 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:57,916 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,919 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,919 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,919 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:57,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:57,919 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:57,935 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,936 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,936 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:57,936 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,936 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,936 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,938 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,938 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,938 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:57,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:57,938 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,954 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,955 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,955 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:57,955 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,955 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,955 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,957 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,957 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,957 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:57,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:57,957 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:57,973 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,974 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,974 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:57,974 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,974 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,976 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,976 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,976 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:57,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:57,976 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:57,992 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,992 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,992 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:57,993 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,993 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,993 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,995 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,995 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:57,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:57,995 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:58,011 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,011 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,011 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:58,011 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,011 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,011 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,013 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,013 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:58,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:58,013 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:58,029 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,030 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,030 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:58,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,032 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,032 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,032 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:58,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:58,032 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:58,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,048 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,048 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:58,048 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,048 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,050 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,050 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,050 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:58,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:58,051 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:58,067 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,068 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,068 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:58,068 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,068 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,068 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,070 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,070 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,070 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:58,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:58,070 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:58,087 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,087 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,087 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:58,087 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,087 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,087 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,089 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,089 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,089 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:58,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:58,089 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:58,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,106 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,106 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:58,106 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,106 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,106 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,108 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,108 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,108 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:58,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:58,109 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:58,125 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,125 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,126 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:58,126 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,126 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,126 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,128 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,128 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,128 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:58,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:58,128 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:58,144 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,145 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,145 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:58,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,147 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,147 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,147 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:58,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:58,147 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:58,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,163 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,163 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:58,163 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,163 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,163 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,165 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,165 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:58,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:58,165 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:58,181 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,181 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,181 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:58,182 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:58,182 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:58,182 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,182 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:58,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,183 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,183 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,183 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:58,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:58,183 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:58,199 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,199 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,199 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:58,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:58,199 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,199 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:58,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,200 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,201 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,201 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 10:29:58,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 10:29:58,201 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 10:29:58,215 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,216 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,216 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 10:29:58,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 10:29:58,216 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,216 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:58,216 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:58,216 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:58,216 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,216 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:58,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,218 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,218 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:58,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:58,218 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:58,234 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,234 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,234 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:58,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:58,234 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,234 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:58,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,236 - INFO - number of orbitals:  118
-2024-12-09 10:29:58,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,236 - INFO - moving on ...
-2024-12-09 10:29:58,236 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:58,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,237 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,237 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:58,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:58,237 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:58,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,253 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,253 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:58,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:58,253 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,253 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:58,254 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:58,254 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:58,254 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,254 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:58,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,255 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,255 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:58,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:58,255 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:58,272 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,272 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,272 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:58,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:58,272 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,272 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:58,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,274 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,274 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,274 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:29:58,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:29:58,274 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:29:58,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,290 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,291 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:29:58,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:29:58,291 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,291 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:58,291 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:58,291 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:58,291 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,291 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:58,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,293 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,293 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:58,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:58,293 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,309 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,309 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:58,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:58,309 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,309 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:58,309 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:58,309 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:58,309 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,309 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:58,310 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,310 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,310 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,312 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,312 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:58,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:58,312 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:58,327 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,327 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,327 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:58,327 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,327 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,328 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,329 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,330 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,330 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:58,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:58,330 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:58,345 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,346 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,346 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:58,346 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,346 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,346 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,348 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,348 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,348 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:58,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:58,348 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,364 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,364 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,364 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:58,364 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,365 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,365 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,367 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,367 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,367 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:58,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:58,367 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,383 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,384 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,384 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:58,384 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,384 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,384 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,386 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,386 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,386 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:58,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:58,386 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:58,403 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,403 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,403 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:58,403 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,403 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,403 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,405 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,405 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,405 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:58,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:58,405 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:58,421 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,422 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,422 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:58,422 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,422 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,422 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,424 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,424 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,424 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:58,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:58,424 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:58,440 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,440 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,440 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:58,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,440 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,440 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,442 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,442 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:58,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:58,442 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:58,458 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,459 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,459 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:58,459 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,459 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,459 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,461 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,461 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,461 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:58,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:58,461 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:58,477 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,477 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,477 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:58,477 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,477 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,477 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,479 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,479 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,479 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:58,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:58,479 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:58,496 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,496 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,496 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:58,496 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,497 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,497 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,498 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,498 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,499 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:58,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:58,499 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,515 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,515 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,515 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:58,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,517 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,517 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:58,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:58,518 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:58,534 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,534 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,534 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:58,535 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:58,535 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:58,535 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,535 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:58,535 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,535 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,537 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,537 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,537 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:58,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:58,537 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:58,554 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,554 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,554 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:58,554 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,554 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,554 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,556 - INFO - number of orbitals:  108
-2024-12-09 10:29:58,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,557 - INFO - moving on ...
-2024-12-09 10:29:58,557 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:58,557 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:58,557 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:58,557 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,557 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:58,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,558 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,558 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,558 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:58,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:58,558 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:58,574 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,574 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,575 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:58,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:58,575 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,575 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:58,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,576 - INFO - number of orbitals:  135
-2024-12-09 10:29:58,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,576 - INFO - moving on ...
-2024-12-09 10:29:58,576 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:58,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,578 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,578 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,578 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:29:58,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:29:58,578 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:29:58,595 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,595 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,595 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:29:58,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:29:58,595 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,595 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:58,596 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:58,596 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:58,596 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,596 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:58,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,597 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,597 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,597 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:58,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:58,597 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:58,613 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,614 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,614 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:58,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:58,614 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,614 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:58,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,616 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,616 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,616 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:29:58,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:29:58,616 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:29:58,632 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,633 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,633 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:29:58,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:29:58,633 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,633 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:58,633 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:58,633 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:58,633 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,633 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:58,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,635 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:58,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:58,635 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:58,651 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,652 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,652 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:58,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:58,652 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,652 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:58,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,654 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,654 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,654 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:29:58,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:29:58,654 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:29:58,670 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,670 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,670 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:29:58,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:29:58,671 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,671 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:58,671 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:58,671 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:58,671 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,671 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:58,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,672 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,672 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,672 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:58,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:58,673 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:58,689 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,689 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,689 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:58,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:58,690 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,690 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:58,690 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:58,690 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:58,690 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,690 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:58,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,692 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,692 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,692 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:58,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:58,692 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:58,709 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,710 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,710 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:58,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:58,710 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,710 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:58,710 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:58,710 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:58,710 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,710 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:58,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,712 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,712 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,712 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:58,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:58,712 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:58,729 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,729 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,729 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:58,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:58,729 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,729 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:58,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,731 - INFO - number of orbitals:  118
-2024-12-09 10:29:58,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,731 - INFO - moving on ...
-2024-12-09 10:29:58,731 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:58,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,732 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,732 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,732 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:58,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:58,732 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:58,748 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,749 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,749 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:58,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:58,749 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,749 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:58,749 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:58,749 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:58,749 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,749 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:58,749 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,750 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,750 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,752 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,752 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,752 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:58,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:58,752 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,768 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,769 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,769 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:58,769 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,769 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,769 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,771 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,771 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,771 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:58,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:58,771 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:58,788 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,788 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,788 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:58,788 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,788 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,788 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,790 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,791 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,791 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:58,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:58,791 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:58,807 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,808 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,808 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:58,808 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,808 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,808 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,810 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,810 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,810 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:58,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:58,810 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,827 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,827 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,827 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:58,827 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,827 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,827 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,829 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,829 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,829 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:58,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:58,830 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:58,846 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,846 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,846 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:58,846 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,847 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,847 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,849 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,849 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,849 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:58,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:58,849 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:58,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,866 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,866 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:58,867 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,867 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,867 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,869 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,869 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,869 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:58,870 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:58,870 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:58,887 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,887 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,887 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:58,887 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,887 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,888 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,890 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,890 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:58,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:58,890 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:58,906 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,907 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,907 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:58,907 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:58,907 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:58,907 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,907 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:58,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,909 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,909 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,909 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:58,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:58,909 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:58,925 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,925 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,926 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:58,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:58,926 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,926 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:58,926 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:58,926 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:58,926 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,926 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:58,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,928 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,928 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:58,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:58,928 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:58,944 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,944 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,945 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:58,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:58,945 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,945 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:58,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,946 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,946 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,946 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:58,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:58,946 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:58,962 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,963 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,963 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:58,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:58,963 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,963 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:58,963 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:58,963 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:58,963 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,963 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:58,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,965 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,965 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:58,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:58,965 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:58,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,981 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,981 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:58,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:58,981 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,981 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:58,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,983 - INFO - number of orbitals:  119
-2024-12-09 10:29:58,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,983 - INFO - moving on ...
-2024-12-09 10:29:58,983 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:58,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,984 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,984 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:58,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:58,984 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:59,001 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,001 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,001 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:59,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:59,002 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,002 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:59,002 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:59,002 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:59,002 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,002 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:59,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,003 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,003 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,003 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:59,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:59,004 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:59,020 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,020 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,021 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:59,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:59,021 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,021 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:59,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,022 - INFO - number of orbitals:  135
-2024-12-09 10:29:59,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,022 - INFO - moving on ...
-2024-12-09 10:29:59,022 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:59,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,024 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,024 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,024 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:29:59,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:29:59,024 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:29:59,040 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,041 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,041 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:29:59,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:29:59,041 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,041 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:59,041 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:59,041 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:59,041 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,041 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:59,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,043 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,043 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,043 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:59,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:59,043 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:59,060 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,061 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,061 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:59,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:59,061 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,061 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:59,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,062 - INFO - number of orbitals:  118
-2024-12-09 10:29:59,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,063 - INFO - moving on ...
-2024-12-09 10:29:59,063 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:59,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,064 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,064 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:59,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:59,064 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:59,082 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,082 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,083 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:59,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:59,083 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,083 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:59,083 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:59,083 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:59,083 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,083 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:59,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,085 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,085 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:59,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:59,085 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:59,101 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,102 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,102 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:59,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:59,102 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,102 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:59,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,104 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,104 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:29:59,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:29:59,104 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:29:59,121 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,122 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,122 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:29:59,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:29:59,122 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,122 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:59,122 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:59,122 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:59,122 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,122 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:59,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,124 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,124 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,124 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:59,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:59,124 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:59,140 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,141 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,141 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:59,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:59,141 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,141 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:59,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,143 - INFO - number of orbitals:  110
-2024-12-09 10:29:59,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,143 - INFO - moving on ...
-2024-12-09 10:29:59,143 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:59,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,145 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,145 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:59,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:59,145 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:59,162 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,162 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,162 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:59,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:59,163 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,163 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:59,163 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:59,163 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:59,163 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,163 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:59,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,165 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,165 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:59,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:59,165 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:59,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,183 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,183 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:59,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:59,183 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,183 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:59,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,185 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,185 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,185 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 10:29:59,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 10:29:59,185 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 10:29:59,201 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,202 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,202 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 10:29:59,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 10:29:59,202 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,202 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:59,202 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:59,202 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:59,202 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,202 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:59,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,204 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,204 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:59,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:59,204 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:59,221 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,221 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,221 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:59,221 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:59,221 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:59,221 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,222 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:59,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,223 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,223 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:59,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:59,223 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:59,240 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,240 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,240 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:59,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:59,240 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,240 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:59,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,242 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,242 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 10:29:59,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 10:29:59,242 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 10:29:59,258 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,259 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,259 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 10:29:59,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 10:29:59,259 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,259 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:59,259 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:59,259 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:59,259 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,259 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:59,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,261 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,261 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,261 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:59,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:59,261 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:59,279 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,279 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,279 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:59,279 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:59,280 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:59,280 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,280 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:59,280 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,280 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,280 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,282 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,282 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,282 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:59,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:59,282 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:59,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,299 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,300 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:59,300 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,300 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,300 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,302 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,302 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,302 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:59,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:59,302 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:59,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,319 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,319 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:59,320 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,320 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,320 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,322 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,322 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,322 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:59,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:59,322 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:59,338 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,338 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,338 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:59,339 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,339 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,339 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,341 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,341 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,341 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:59,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:59,341 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:59,358 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,358 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,358 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:59,359 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:59,359 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:59,359 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,359 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:59,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,360 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,360 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,360 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:59,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:59,361 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:59,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,377 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,378 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:59,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:59,378 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,378 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:59,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,379 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,379 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,379 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:29:59,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:29:59,380 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:29:59,396 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,397 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,397 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:29:59,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:29:59,397 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,397 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:59,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,398 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,398 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,398 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:59,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:59,399 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:59,415 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,416 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,416 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:59,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:59,416 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,416 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:59,416 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:59,416 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:59,416 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,416 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:59,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,418 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,418 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,418 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:59,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:59,418 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:59,434 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,435 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,435 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:59,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:59,435 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,435 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:59,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,437 - INFO - number of orbitals:  110
-2024-12-09 10:29:59,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,437 - INFO - moving on ...
-2024-12-09 10:29:59,437 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:59,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,438 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,438 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,438 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:59,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:59,438 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:59,456 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,457 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,457 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:59,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:59,457 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,457 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:59,458 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:59,458 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:59,458 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,458 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:59,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,460 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,460 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,460 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:59,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:59,460 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:59,478 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,478 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,478 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:59,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:59,478 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,478 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:59,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,480 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,480 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,480 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:29:59,480 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:29:59,480 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:29:59,496 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,497 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,497 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:29:59,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:29:59,497 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,497 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:59,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,499 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,499 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,499 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:59,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:59,499 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:59,514 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,515 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,515 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:59,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:59,515 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,515 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:59,515 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:59,515 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:59,515 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,515 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:59,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,517 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,517 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:59,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:59,517 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:59,533 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,533 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,533 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:59,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:59,534 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,534 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:59,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,535 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,535 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 10:29:59,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 10:29:59,535 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 10:29:59,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,551 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,552 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 10:29:59,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 10:29:59,552 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,552 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:59,552 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:59,552 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:59,552 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,552 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:59,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,553 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,553 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,554 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:59,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:59,554 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:59,570 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,570 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,570 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:59,571 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:59,571 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:59,571 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,571 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:59,571 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,571 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,571 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,573 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,573 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:59,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:59,573 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:59,590 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,590 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,590 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:59,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,591 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,591 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,593 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,593 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:59,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:59,593 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:59,609 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,610 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,610 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:59,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,610 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,610 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,612 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:59,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:59,612 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:59,629 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,629 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,629 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:59,630 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,630 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,632 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,632 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,632 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:59,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:59,632 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:59,648 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,649 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,649 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:59,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,649 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,649 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,651 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,651 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,651 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:59,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:59,651 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:59,667 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,668 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,668 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:59,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,668 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,668 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,670 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,670 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,670 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:59,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:59,670 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:59,686 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,686 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,686 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:59,686 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,686 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,686 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,688 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,688 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,688 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:59,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:59,689 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:59,704 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,705 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,705 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:59,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,707 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,707 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,707 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:59,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:59,707 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:59,723 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,724 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,724 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:59,724 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,724 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,724 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,726 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,726 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,726 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:59,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:59,726 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:59,742 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,743 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,743 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:59,743 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:59,743 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:59,743 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,743 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:59,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,745 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,745 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,745 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:59,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:59,745 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:59,761 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,762 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,762 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:59,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:59,762 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,762 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:59,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,763 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,763 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,763 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 10:29:59,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 10:29:59,764 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 10:29:59,779 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,780 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,780 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 10:29:59,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 10:29:59,780 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,780 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:59,780 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:59,780 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:59,780 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,781 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:59,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,782 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,782 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,782 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:59,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:59,782 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:59,799 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,799 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,800 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:59,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:59,800 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,800 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:59,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,801 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,801 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,801 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:59,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:59,801 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:59,817 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,818 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,818 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:59,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:59,818 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,818 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:59,818 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:59,818 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:59,818 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,818 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:59,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,819 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,820 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,820 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:59,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:59,820 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:59,835 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,835 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,835 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:59,835 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:59,836 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:59,836 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,836 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:59,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,837 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,837 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,838 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:59,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:59,838 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:59,854 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,854 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,854 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:59,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:59,855 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,855 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:59,855 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:59,855 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:59,855 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,855 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:59,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,856 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,856 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,856 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:59,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:59,857 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:59,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,873 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,873 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:59,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:59,873 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,873 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:59,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,875 - INFO - number of orbitals:  116
-2024-12-09 10:29:59,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,875 - INFO - moving on ...
-2024-12-09 10:29:59,875 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:59,875 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:59,875 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:59,875 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,875 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:59,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,877 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,877 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,877 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:59,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:59,877 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:59,893 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,893 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,893 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:59,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:59,894 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,894 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:59,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,895 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,895 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,895 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:59,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:59,895 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:59,911 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,911 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,912 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:59,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:59,912 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,912 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:59,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,913 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,913 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:59,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:59,913 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:59,931 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,931 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,931 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:59,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:59,931 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,931 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:59,931 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:59,932 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:59,932 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,932 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:59,932 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,932 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,932 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,934 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,934 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,934 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:59,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:59,934 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:59,951 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,951 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,951 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:59,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,953 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,954 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,954 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:59,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:59,954 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:59,970 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,970 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,970 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:59,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,972 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,972 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:59,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:59,973 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:59,988 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,989 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,989 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:59,989 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,989 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,989 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,991 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,991 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,991 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:59,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:59,991 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:30:00,009 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,009 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,010 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:30:00,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,013 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,013 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:30:00,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:30:00,013 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:30:00,030 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,031 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,031 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:30:00,031 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,031 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,031 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,033 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,033 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,033 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:30:00,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:30:00,033 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:30:00,049 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,050 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,050 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:30:00,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,052 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,052 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,052 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:30:00,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:30:00,052 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:30:00,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,069 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,069 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:30:00,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,072 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,072 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:30:00,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:30:00,072 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:30:00,089 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,089 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,089 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:30:00,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,091 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,091 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:30:00,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:30:00,091 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:30:00,108 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,108 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,108 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:30:00,108 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,109 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,109 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,111 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,111 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,111 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:30:00,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:30:00,111 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:30:00,127 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,127 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,127 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:30:00,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,128 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,129 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,129 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:30:00,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:30:00,130 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:30:00,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,146 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,146 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:30:00,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,146 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,146 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,148 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,148 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:30:00,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:30:00,148 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:30:00,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,165 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,165 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:30:00,166 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:30:00,166 - INFO - problem_instance short name: be_0
-2024-12-09 10:30:00,166 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,166 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:30:00,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,168 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,168 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:30:00,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:30:00,168 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:30:00,185 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,186 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,186 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:30:00,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:30:00,186 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,186 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:30:00,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,188 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,188 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,188 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:30:00,188 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:30:00,188 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:30:00,205 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,205 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,205 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:30:00,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:30:00,206 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,206 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:30:00,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,207 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,207 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:30:00,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:30:00,207 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:30:00,224 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,224 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,225 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:30:00,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:30:00,225 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,225 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:30:00,225 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:30:00,225 - INFO - problem_instance short name: f2_0
-2024-12-09 10:30:00,225 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,225 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:30:00,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,227 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,227 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:30:00,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:30:00,227 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:30:00,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,243 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,244 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:30:00,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:30:00,244 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,244 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:30:00,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,245 - INFO - number of orbitals:  110
-2024-12-09 10:30:00,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,245 - INFO - moving on ...
-2024-12-09 10:30:00,245 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:30:00,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,247 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,247 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,247 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:30:00,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:30:00,247 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:30:00,263 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,264 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,264 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:30:00,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:30:00,264 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,264 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:30:00,264 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:30:00,264 - INFO - problem_instance short name: n2_0
-2024-12-09 10:30:00,264 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,264 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:30:00,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,266 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,266 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:30:00,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:30:00,266 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:30:00,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,283 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,283 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:30:00,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:30:00,283 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,283 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:30:00,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,284 - INFO - number of orbitals:  110
-2024-12-09 10:30:00,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,285 - INFO - moving on ...
-2024-12-09 10:30:00,285 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:30:00,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,286 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,286 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,286 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:30:00,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:30:00,286 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:30:00,304 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,305 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,305 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:30:00,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:30:00,305 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,305 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:30:00,305 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:30:00,305 - INFO - problem_instance short name: fe_red
-2024-12-09 10:30:00,305 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,305 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:30:00,305 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,306 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,306 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,307 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,308 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,308 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:30:00,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:30:00,308 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:30:00,324 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,324 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,324 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:30:00,325 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,325 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,325 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,327 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,327 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,327 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:30:00,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:30:00,327 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:30:00,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,343 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,343 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:30:00,344 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,344 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,344 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,346 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,346 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,346 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:30:00,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:30:00,346 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:30:00,362 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,363 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,363 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:30:00,363 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,363 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,363 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,365 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,365 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,365 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:30:00,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:30:00,365 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:30:00,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,381 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,382 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:30:00,382 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,382 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,382 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,384 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,384 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,384 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:30:00,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:30:00,384 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:30:00,401 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,401 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,401 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:30:00,401 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,401 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,403 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,403 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,403 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:30:00,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:30:00,404 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:30:00,420 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,420 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,421 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:30:00,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,423 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,423 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,423 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:30:00,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:30:00,423 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:30:00,439 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,440 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,440 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:30:00,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,440 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,440 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,443 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,443 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:30:00,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:30:00,443 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:30:00,460 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,461 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,461 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:30:00,461 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,461 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,461 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,463 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,463 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,463 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:30:00,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:30:00,464 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:30:00,481 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,481 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,481 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:30:00,481 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:30:00,481 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:30:00,481 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,481 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:30:00,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,483 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,483 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,483 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:30:00,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:30:00,483 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:30:00,499 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,500 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,500 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:30:00,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:30:00,500 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,500 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:30:00,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,502 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,502 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 10:30:00,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 10:30:00,502 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 10:30:00,517 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,518 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,518 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 10:30:00,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 10:30:00,518 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,518 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:30:00,518 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:30:00,518 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:30:00,518 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,518 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:30:00,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,520 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,520 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,520 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:30:00,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:30:00,520 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:30:00,537 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,537 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,538 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:30:00,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:30:00,538 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,538 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:30:00,538 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:30:00,538 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:30:00,538 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,538 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:30:00,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,540 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,540 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,540 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:30:00,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:30:00,540 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:30:00,557 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,557 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,557 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:30:00,558 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:30:00,558 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:30:00,558 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,558 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:30:00,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,559 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,559 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,559 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:30:00,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:30:00,559 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:30:00,576 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,576 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,577 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:30:00,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:30:00,577 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,577 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:30:00,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,579 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,579 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,579 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:30:00,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:30:00,579 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:30:00,598 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,599 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,599 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:30:00,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:30:00,599 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,599 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:30:00,599 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:30:00,599 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:30:00,599 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,599 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:30:00,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,601 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,601 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,601 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:30:00,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:30:00,601 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:30:00,618 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,618 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,619 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:30:00,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:30:00,619 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,619 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:30:00,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,620 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,620 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,620 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 10:30:00,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 10:30:00,621 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 10:30:00,637 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,637 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,637 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 10:30:00,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 10:30:00,637 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,637 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:30:00,637 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:30:00,637 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:30:00,638 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,638 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:30:00,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,639 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,639 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,639 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:30:00,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:30:00,639 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:30:00,655 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,656 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,656 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:30:00,656 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:30:00,656 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:30:00,656 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,656 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:30:00,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,658 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,658 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,658 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:30:00,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:30:00,658 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:30:00,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,675 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,675 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:30:00,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:30:00,675 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,675 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:30:00,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,677 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,677 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,677 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 10:30:00,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 10:30:00,677 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 10:30:00,695 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,696 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,696 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 10:30:00,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 10:30:00,696 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,696 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:30:00,696 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:30:00,696 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:30:00,696 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,696 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:30:00,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,698 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,698 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,698 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:30:00,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:30:00,698 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:30:00,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,715 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,715 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:30:00,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:30:00,715 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,715 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:30:00,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,717 - INFO - number of orbitals:  106
-2024-12-09 10:30:00,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,717 - INFO - moving on ...
-2024-12-09 10:30:00,717 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:30:00,717 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:30:00,717 - INFO - problem_instance short name: p2_0
-2024-12-09 10:30:00,717 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,717 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:30:00,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,719 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,719 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,719 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:30:00,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:30:00,719 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:30:00,736 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,736 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,736 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:30:00,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:30:00,736 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,736 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:30:00,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,738 - INFO - number of orbitals:  118
-2024-12-09 10:30:00,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,738 - INFO - moving on ...
-2024-12-09 10:30:00,738 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:30:00,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,739 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,740 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,740 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:30:00,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:30:00,740 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:30:00,756 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,757 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,757 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:30:00,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:30:00,757 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,757 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:30:00,757 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:30:00,757 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:30:00,757 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,758 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:30:00,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,759 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,759 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,759 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:30:00,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:30:00,759 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:30:00,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,776 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,777 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:30:00,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:30:00,777 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,777 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:30:00,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,778 - INFO - number of orbitals:  114
-2024-12-09 10:30:00,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,778 - INFO - moving on ...
-2024-12-09 10:30:00,779 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:30:00,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,780 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,780 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,780 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:30:00,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:30:00,780 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:30:00,797 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,798 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,798 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:30:00,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:30:00,798 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,798 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:30:00,798 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:30:00,798 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:30:00,798 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,798 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:30:00,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,800 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,800 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,800 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:30:00,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:30:00,800 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:30:00,817 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,818 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,818 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:30:00,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:30:00,818 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,818 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:30:00,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,820 - INFO - number of orbitals:  115
-2024-12-09 10:30:00,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,820 - INFO - moving on ...
-2024-12-09 10:30:00,820 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:30:00,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,822 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,822 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:30:00,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:30:00,822 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:30:00,839 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,839 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,839 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:30:00,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:30:00,839 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,839 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:30:00,839 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:30:00,839 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:30:00,839 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,840 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:30:00,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,841 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,841 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:30:00,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:30:00,841 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:30:00,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,858 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,858 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:30:00,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:30:00,858 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,858 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:30:00,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,860 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,860 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,860 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:30:00,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:30:00,860 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:30:00,876 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,877 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,877 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:30:00,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:30:00,877 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,877 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:30:00,877 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:30:00,877 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:30:00,877 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,877 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:30:00,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,879 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,879 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,879 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:30:00,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:30:00,879 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:30:00,896 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,896 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,896 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:30:00,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:30:00,896 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,896 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:30:00,897 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:30:00,897 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:30:00,897 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,897 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:30:00,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,898 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,898 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:30:00,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:30:00,898 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:30:00,915 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,915 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,916 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:30:00,916 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:30:00,916 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:30:00,916 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,916 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:30:00,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,917 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,918 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,918 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:30:00,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:30:00,918 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:30:00,934 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,934 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,935 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:30:00,935 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:30:00,935 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,935 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:30:00,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,936 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,936 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,936 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 10:30:00,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 10:30:00,936 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 10:30:00,953 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,953 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,953 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 10:30:00,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 10:30:00,954 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,954 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:30:00,954 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:30:00,954 - INFO - problem_instance short name: V_1
-2024-12-09 10:30:00,954 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,954 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:30:00,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,955 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,955 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,955 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:30:00,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:30:00,956 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:30:00,971 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,972 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,972 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:30:00,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:30:00,972 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,972 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:30:00,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,974 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,974 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,974 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 10:30:00,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 10:30:00,974 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 10:30:00,990 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,990 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,990 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 10:30:00,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 10:30:00,990 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,990 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:30:00,991 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:30:00,991 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:30:00,991 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,991 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:30:00,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,992 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,992 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,992 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:30:00,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:30:00,992 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:30:01,008 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,009 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,009 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:30:01,009 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:30:01,009 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:30:01,009 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,009 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:30:01,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,011 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,011 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,011 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:30:01,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:30:01,011 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:30:01,028 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,029 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,029 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:30:01,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:30:01,029 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,029 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:30:01,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,031 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,031 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 10:30:01,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 10:30:01,031 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 10:30:01,047 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,048 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,048 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 10:30:01,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 10:30:01,048 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,048 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:30:01,048 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:30:01,048 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:30:01,048 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,048 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:30:01,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,050 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,050 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,050 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:30:01,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:30:01,050 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:30:01,066 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,066 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,066 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:30:01,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:30:01,066 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,066 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:30:01,067 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:30:01,067 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:30:01,067 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,067 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:30:01,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,068 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,068 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:30:01,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:30:01,068 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:30:01,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,084 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,084 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:30:01,084 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:30:01,084 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:30:01,084 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,084 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:30:01,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,086 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,086 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:30:01,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:30:01,086 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:30:01,102 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,102 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,102 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:30:01,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:30:01,103 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,103 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:30:01,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,104 - INFO - number of orbitals:  116
-2024-12-09 10:30:01,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,104 - INFO - moving on ...
-2024-12-09 10:30:01,104 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:30:01,104 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:30:01,104 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:30:01,105 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,105 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:30:01,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,106 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,106 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,106 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:30:01,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:30:01,106 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:30:01,122 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,122 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,122 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:30:01,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:30:01,122 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,122 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:30:01,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,124 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,124 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,124 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 10:30:01,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 10:30:01,124 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 10:30:01,141 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,142 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,142 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 10:30:01,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 10:30:01,142 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,142 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:30:01,142 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:30:01,142 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:30:01,142 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,143 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:30:01,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,144 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,144 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,144 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:30:01,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:30:01,144 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:30:01,161 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,162 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,162 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:30:01,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:30:01,162 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,162 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:30:01,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,164 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,164 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,164 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 10:30:01,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 10:30:01,164 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 10:30:01,181 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,181 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,181 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 10:30:01,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 10:30:01,181 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,181 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:30:01,182 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:30:01,182 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:30:01,182 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,182 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:30:01,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,183 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,183 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,183 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:30:01,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:30:01,184 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:30:01,200 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,201 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,201 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:30:01,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:30:01,201 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,201 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:30:01,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,203 - INFO - number of orbitals:  110
-2024-12-09 10:30:01,203 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,203 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,203 - INFO - moving on ...
-2024-12-09 10:30:01,203 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:30:01,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,205 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,205 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:30:01,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:30:01,205 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:30:01,221 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,221 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,221 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:30:01,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:30:01,221 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,222 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:30:01,222 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:30:01,222 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:30:01,222 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,222 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:30:01,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,223 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,223 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:30:01,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:30:01,223 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:30:01,240 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,240 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,240 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:30:01,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:30:01,240 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,240 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:30:01,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,242 - INFO - number of orbitals:  135
-2024-12-09 10:30:01,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,242 - INFO - moving on ...
-2024-12-09 10:30:01,242 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:30:01,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,243 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,243 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,243 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 10:30:01,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 10:30:01,243 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 10:30:01,260 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,260 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,260 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 10:30:01,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 10:30:01,260 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,261 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:30:01,261 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:30:01,261 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:30:01,261 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,261 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:30:01,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,262 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,262 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,263 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:30:01,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:30:01,263 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:30:01,279 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,279 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,280 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:30:01,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:30:01,280 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,280 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:30:01,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,281 - INFO - number of orbitals:  119
-2024-12-09 10:30:01,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,281 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,281 - INFO - moving on ...
-2024-12-09 10:30:01,281 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:30:01,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,283 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,283 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,283 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:30:01,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:30:01,283 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:30:01,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,300 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,300 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:30:01,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:30:01,300 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,300 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:30:01,300 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:30:01,300 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:30:01,300 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,300 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:30:01,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,302 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,302 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,302 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:30:01,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:30:01,302 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:30:01,318 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,319 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,319 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:30:01,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:30:01,319 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,319 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:30:01,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,321 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,321 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,321 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:30:01,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:30:01,321 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:30:01,337 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,338 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,338 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:30:01,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:30:01,338 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,338 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:30:01,338 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:30:01,338 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:30:01,338 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,338 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:30:01,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,340 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,340 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,340 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:30:01,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:30:01,340 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:30:01,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,357 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,357 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:30:01,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:30:01,357 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,357 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:30:01,358 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:30:01,358 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:30:01,358 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,358 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:30:01,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,359 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,359 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,359 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:30:01,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:30:01,360 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:30:01,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,381 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,382 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:30:01,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:30:01,382 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,382 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:30:01,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,383 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,384 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,384 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 10:30:01,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 10:30:01,384 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 10:30:01,404 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,405 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,405 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 10:30:01,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 10:30:01,405 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,405 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:30:01,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,407 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,407 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,407 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:30:01,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:30:01,407 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:30:01,427 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,428 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,428 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:30:01,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:30:01,428 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,428 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:30:01,428 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:30:01,428 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:30:01,429 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,429 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:30:01,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,431 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,431 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:30:01,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:30:01,431 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:30:01,451 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,452 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,452 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:30:01,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:30:01,452 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,452 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:30:01,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,454 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,454 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,454 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-09 10:30:01,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
-2024-12-09 10:30:01,454 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
-2024-12-09 10:30:01,474 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,475 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,475 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
-2024-12-09 10:30:01,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
-2024-12-09 10:30:01,475 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,475 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:30:01,475 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:30:01,475 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:30:01,475 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,475 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:30:01,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,477 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,477 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,477 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:30:01,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:30:01,477 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:30:01,495 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,495 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,495 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:30:01,496 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:30:01,496 - INFO - problem_instance short name: O_0
-2024-12-09 10:30:01,496 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,496 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:30:01,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,497 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,497 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,497 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:30:01,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:30:01,497 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:30:01,513 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,513 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,514 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:30:01,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:30:01,514 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,514 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:30:01,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,516 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,516 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,516 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:30:01,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:30:01,516 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:30:01,532 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,533 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,533 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:30:01,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:30:01,533 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,533 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:30:01,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,534 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,535 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:30:01,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:30:01,535 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:30:01,550 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,551 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,551 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:30:01,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:30:01,551 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,551 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:30:01,551 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:30:01,551 - INFO - problem_instance short name: ozone
-2024-12-09 10:30:01,551 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,551 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:30:01,551 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,552 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,552 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,554 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,554 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,554 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:30:01,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:30:01,554 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:30:01,570 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,571 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,571 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:30:01,571 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,571 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,571 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,573 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,573 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:30:01,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:30:01,573 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:30:01,590 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,590 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,591 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:30:01,591 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,591 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,591 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,593 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,593 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,593 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 10:30:01,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 10:30:01,593 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 10:30:01,610 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,610 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,610 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:30:01,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,611 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,611 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,613 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,613 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,613 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:30:01,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:30:01,613 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:30:01,631 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,631 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,631 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:30:01,632 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,634 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,635 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,635 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:30:01,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:30:01,635 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:30:01,654 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,654 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,654 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:30:01,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,657 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,657 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,657 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 10:30:01,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 10:30:01,657 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 10:30:01,673 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,674 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,674 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:30:01,674 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:30:01,674 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:30:01,674 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,674 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:30:01,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,676 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,676 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,676 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:30:01,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:30:01,676 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:30:01,692 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,693 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,693 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:30:01,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:30:01,693 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,693 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:30:01,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,694 - INFO - number of orbitals:  115
-2024-12-09 10:30:01,695 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,695 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,695 - INFO - moving on ...
-2024-12-09 10:30:01,695 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:30:01,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,696 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,696 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,696 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:30:01,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:30:01,696 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:30:01,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,713 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,713 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:30:01,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:30:01,713 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,713 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:30:01,714 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:30:01,714 - INFO - problem_instance short name: VO_0
-2024-12-09 10:30:01,714 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,714 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:30:01,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,715 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,715 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:30:01,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:30:01,716 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:30:01,733 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,733 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,733 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:30:01,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:30:01,733 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,733 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:30:01,734 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:30:01,734 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:30:01,734 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,734 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:30:01,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,735 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,735 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:30:01,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:30:01,735 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:30:01,752 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,754 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,754 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:30:01,754 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:30:01,754 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:30:01,754 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,754 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:30:01,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,757 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,757 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,757 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:30:01,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:30:01,757 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:30:01,773 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,774 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,774 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:30:01,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,774 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,774 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,776 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,776 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,776 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:30:01,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:30:01,776 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:30:01,793 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,793 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,793 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:30:01,793 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,794 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,794 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,796 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,796 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,796 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:30:01,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:30:01,796 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:30:01,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,813 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,814 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:30:01,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,816 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,816 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:30:01,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:30:01,816 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:30:01,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,833 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,833 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:30:01,833 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,833 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,833 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,835 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,835 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:30:01,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:30:01,835 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:30:01,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,853 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,853 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:30:01,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,855 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,855 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:30:01,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:30:01,855 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:30:01,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,872 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,872 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:30:01,873 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:30:01,873 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:30:01,873 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,873 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:30:01,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,875 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,875 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:30:01,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:30:01,875 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:30:01,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,892 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,892 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:30:01,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,894 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,894 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:30:01,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:30:01,894 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:30:01,911 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,912 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,912 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:30:01,912 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,912 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,912 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,914 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,914 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,914 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:30:01,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:30:01,914 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:30:01,930 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,930 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,930 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:30:01,931 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:30:01,931 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:30:01,931 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,931 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:30:01,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,932 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,932 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:30:01,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:30:01,932 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:30:01,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,949 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,949 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:30:01,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:30:01,950 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,950 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:30:01,950 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:30:01,950 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:30:01,950 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,950 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:30:01,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,953 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,953 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:30:01,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:30:01,953 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:30:01,969 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,970 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,970 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:30:01,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,972 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,972 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:30:01,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:30:01,973 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:30:01,989 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,990 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,990 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:30:01,990 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,990 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,990 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,992 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,992 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,992 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:30:01,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:30:01,992 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:30:02,009 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,009 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,009 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:30:02,009 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,012 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,012 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,012 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:30:02,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:30:02,012 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:30:02,030 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,030 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,030 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:30:02,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,032 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,033 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,033 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:30:02,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:30:02,033 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:30:02,050 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,050 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,050 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:30:02,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,051 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,051 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,053 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,053 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:30:02,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:30:02,053 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:30:02,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,069 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,069 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:30:02,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,072 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,072 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:30:02,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:30:02,072 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:30:02,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,089 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,089 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:30:02,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,091 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,091 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:30:02,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:30:02,091 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:30:02,108 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,108 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,108 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:30:02,108 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,109 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,109 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,111 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,111 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,111 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:30:02,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:30:02,111 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:30:02,128 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,128 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,128 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:30:02,128 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,128 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,128 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,130 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,131 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,131 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:30:02,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:30:02,131 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:30:02,147 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,148 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,148 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:30:02,148 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,148 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,148 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,150 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,150 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,150 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:30:02,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:30:02,150 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:30:02,167 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,168 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,168 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:30:02,168 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,168 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,168 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,170 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,170 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:30:02,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:30:02,170 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:30:02,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,187 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,187 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:30:02,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,190 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,190 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:30:02,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:30:02,190 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:30:02,207 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,207 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,207 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:30:02,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,207 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,207 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,209 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,209 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,209 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:30:02,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:30:02,210 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:30:02,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,226 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,226 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:30:02,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,228 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,228 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,228 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:30:02,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:30:02,228 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:30:02,245 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,245 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,245 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:30:02,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,246 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,246 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,248 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,248 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,248 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:30:02,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:30:02,248 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:30:02,265 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,265 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,265 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:30:02,266 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:30:02,266 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:30:02,266 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,266 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:30:02,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,267 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,267 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,267 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:30:02,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:30:02,267 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:30:02,284 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,285 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,285 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:30:02,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:30:02,285 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,285 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:30:02,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,286 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,286 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,286 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 10:30:02,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 10:30:02,287 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 10:30:02,303 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,303 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,304 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 10:30:02,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 10:30:02,304 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,304 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:30:02,304 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:30:02,304 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:30:02,304 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,304 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:30:02,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,306 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,306 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,306 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:30:02,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:30:02,306 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:30:02,323 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,323 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,323 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:30:02,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:30:02,323 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,323 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:30:02,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,325 - INFO - number of orbitals:  118
-2024-12-09 10:30:02,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:02,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:02,325 - INFO - moving on ...
-2024-12-09 10:30:02,325 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:30:02,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,326 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,326 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,326 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:30:02,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:30:02,327 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:30:02,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,343 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,344 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:30:02,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:30:02,344 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,344 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:30:02,344 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:30:02,344 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:30:02,344 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,344 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:30:02,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,345 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,346 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,346 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:30:02,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:30:02,346 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:30:02,362 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,363 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,363 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:30:02,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:30:02,363 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,363 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:30:02,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,364 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,364 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,364 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:30:02,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:30:02,365 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:30:02,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,381 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,381 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:30:02,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:30:02,382 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,382 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:30:02,382 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:30:02,382 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:30:02,382 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,382 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:30:02,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,383 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,383 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,384 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:30:02,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:30:02,384 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,400 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,400 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,401 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:30:02,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:30:02,401 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,401 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:30:02,401 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:30:02,401 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:30:02,401 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,401 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:30:02,401 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,403 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,404 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,404 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:30:02,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:30:02,404 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:30:02,420 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,421 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,421 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:30:02,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,423 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,423 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,423 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:30:02,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:30:02,423 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:30:02,439 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,440 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,440 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:30:02,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,440 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,440 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,442 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,442 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:30:02,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:30:02,442 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,458 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,458 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,459 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:30:02,459 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,459 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,459 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,461 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,461 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,461 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:30:02,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:30:02,461 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,476 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,477 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,477 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:30:02,477 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,477 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,477 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,479 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,479 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,479 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:30:02,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:30:02,479 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:30:02,495 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,496 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,496 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:30:02,496 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,496 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,496 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,498 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,498 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,498 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:30:02,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:30:02,499 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:30:02,514 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,515 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,515 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:30:02,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,517 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,517 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:30:02,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:30:02,517 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:30:02,533 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,533 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,533 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:30:02,533 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,533 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,534 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,535 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,535 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,535 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:30:02,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:30:02,536 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:30:02,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,552 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,552 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:30:02,552 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,552 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,552 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,554 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,554 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,554 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:30:02,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:30:02,554 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:30:02,570 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,571 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,571 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:30:02,571 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,571 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,571 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,573 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,573 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:30:02,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:30:02,573 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:30:02,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,590 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,590 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:30:02,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,592 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,592 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:30:02,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:30:02,592 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,608 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,609 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,609 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:30:02,609 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,609 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,609 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,611 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,611 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,611 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:30:02,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:30:02,611 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:30:02,628 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,628 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,628 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:30:02,629 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:30:02,629 - INFO - problem_instance short name: benzene
-2024-12-09 10:30:02,629 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,629 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:30:02,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,631 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,631 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,631 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:30:02,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:30:02,631 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:30:02,647 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,648 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,648 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:30:02,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,650 - INFO - number of orbitals:  108
-2024-12-09 10:30:02,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:02,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:02,650 - INFO - moving on ...
-2024-12-09 10:30:02,650 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:30:02,650 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:30:02,650 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:30:02,651 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,651 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:30:02,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,652 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,652 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,652 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:30:02,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:30:02,652 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:30:02,669 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,669 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,669 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:30:02,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:30:02,670 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,670 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:30:02,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,671 - INFO - number of orbitals:  135
-2024-12-09 10:30:02,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:02,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:02,671 - INFO - moving on ...
-2024-12-09 10:30:02,671 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:30:02,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,673 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,673 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,673 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:30:02,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:30:02,673 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:30:02,689 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,690 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,690 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:30:02,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:30:02,690 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,690 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:30:02,690 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:30:02,690 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:30:02,690 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,690 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:30:02,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,692 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,692 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,692 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:30:02,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:30:02,692 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:30:02,708 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,709 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,709 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:30:02,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:30:02,709 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,709 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:30:02,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,711 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,711 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,711 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:30:02,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:30:02,711 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:30:02,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,728 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,728 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:30:02,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:30:02,728 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,728 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:30:02,728 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:30:02,728 - INFO - problem_instance short name: V_0
-2024-12-09 10:30:02,728 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,728 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:30:02,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,730 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,730 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,730 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:30:02,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:30:02,730 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:30:02,746 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,747 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,747 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:30:02,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:30:02,747 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,747 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:30:02,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,749 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,749 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,749 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:30:02,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:30:02,749 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:30:02,765 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,766 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,766 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:30:02,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:30:02,766 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,766 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:30:02,766 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:30:02,766 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:30:02,766 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,766 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:30:02,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,768 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,768 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,768 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:30:02,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:30:02,768 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:30:02,785 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,785 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,785 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:30:02,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:30:02,785 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,785 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:30:02,785 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:30:02,785 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:30:02,786 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,786 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:30:02,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,787 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,787 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,787 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:30:02,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:30:02,787 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:30:02,804 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,804 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,804 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:30:02,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:30:02,804 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,804 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:30:02,804 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:30:02,804 - INFO - problem_instance short name: na2_0
-2024-12-09 10:30:02,805 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,805 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:30:02,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,806 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,806 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,806 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:30:02,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:30:02,806 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:30:02,823 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,823 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,823 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:30:02,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:30:02,824 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,824 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:30:02,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,825 - INFO - number of orbitals:  118
-2024-12-09 10:30:02,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:02,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:02,825 - INFO - moving on ...
-2024-12-09 10:30:02,825 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:30:02,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,827 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,827 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,827 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:30:02,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:30:02,827 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:30:02,843 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,844 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,844 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:30:02,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:30:02,844 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,844 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:30:02,844 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:30:02,844 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:30:02,844 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,844 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:30:02,844 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,844 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,846 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,846 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,847 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:30:02,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:30:02,847 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,863 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,863 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,863 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:30:02,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,866 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,866 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,866 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:30:02,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:30:02,866 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:30:02,882 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,883 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,883 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:30:02,883 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,883 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,883 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,885 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,885 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,885 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:30:02,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:30:02,885 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:30:02,902 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,902 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,902 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:30:02,902 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,904 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,904 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,904 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:30:02,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:30:02,905 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,921 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,921 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,922 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:30:02,922 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,922 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,922 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,924 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,924 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,924 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:30:02,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:30:02,924 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:30:02,940 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,941 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,941 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:30:02,941 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,941 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,941 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,943 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,943 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,943 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:30:02,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:30:02,943 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:30:02,960 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,960 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,960 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:30:02,960 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,961 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,961 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,963 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,963 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,963 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:30:02,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:30:02,963 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:30:02,979 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,980 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,980 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:30:02,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,980 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,982 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,982 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,982 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:30:02,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:30:02,982 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:30:02,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,999 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,999 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:30:02,999 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:30:02,999 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:30:02,999 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,000 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:30:03,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,001 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,001 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,001 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:30:03,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:30:03,001 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:30:03,018 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,018 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,018 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:30:03,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:30:03,018 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,018 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:30:03,019 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:30:03,019 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:30:03,019 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,019 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:30:03,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,020 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,020 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,020 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:30:03,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:30:03,020 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:30:03,037 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,037 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,037 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:30:03,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:30:03,037 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,037 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:30:03,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,039 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,039 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,039 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:30:03,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:30:03,039 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:30:03,056 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,056 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,056 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:30:03,056 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:30:03,056 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,057 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:30:03,057 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:30:03,057 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:30:03,057 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,057 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:30:03,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,058 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,058 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,059 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:30:03,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:30:03,059 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:30:03,075 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,076 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,076 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:30:03,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:30:03,076 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,076 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:30:03,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,077 - INFO - number of orbitals:  119
-2024-12-09 10:30:03,077 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,077 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,078 - INFO - moving on ...
-2024-12-09 10:30:03,078 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:30:03,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,079 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,079 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:30:03,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:30:03,079 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:30:03,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,096 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,096 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:30:03,096 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:30:03,096 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,096 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:30:03,096 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:30:03,096 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:30:03,096 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,096 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:30:03,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,098 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,098 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:30:03,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:30:03,098 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:30:03,115 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,115 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,115 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:30:03,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:30:03,115 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,115 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:30:03,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,117 - INFO - number of orbitals:  135
-2024-12-09 10:30:03,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,117 - INFO - moving on ...
-2024-12-09 10:30:03,117 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:30:03,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,118 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,118 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,118 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:30:03,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:30:03,119 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:30:03,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,135 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,136 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:30:03,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:30:03,136 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,136 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:30:03,136 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:30:03,136 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:30:03,136 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,136 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:30:03,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,138 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,138 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,138 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:30:03,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:30:03,138 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:30:03,154 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,155 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,155 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:30:03,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:30:03,155 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,155 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:30:03,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,157 - INFO - number of orbitals:  118
-2024-12-09 10:30:03,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,157 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,157 - INFO - moving on ...
-2024-12-09 10:30:03,157 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:30:03,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,158 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,158 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,158 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:30:03,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:30:03,158 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:30:03,175 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,175 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,175 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:30:03,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:30:03,176 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,176 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:30:03,176 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:30:03,176 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:30:03,176 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,176 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:30:03,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,178 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,178 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,178 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:30:03,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:30:03,178 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:30:03,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,195 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,195 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:30:03,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:30:03,196 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,196 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:30:03,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,197 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,197 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,197 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:30:03,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:30:03,197 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:30:03,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,214 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,214 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:30:03,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:30:03,215 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,215 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:30:03,215 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:30:03,215 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:30:03,215 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,215 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:30:03,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,216 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,216 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:30:03,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:30:03,217 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:30:03,233 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,233 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,233 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:30:03,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:30:03,234 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,234 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:30:03,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,235 - INFO - number of orbitals:  110
-2024-12-09 10:30:03,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,235 - INFO - moving on ...
-2024-12-09 10:30:03,235 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:30:03,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,237 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,237 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:30:03,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:30:03,237 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:30:03,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,253 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,254 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:30:03,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:30:03,254 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,254 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:30:03,254 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:30:03,254 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:30:03,254 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,254 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:30:03,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,256 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,256 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:30:03,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:30:03,256 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:30:03,272 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,272 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,272 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:30:03,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:30:03,272 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,272 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:30:03,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,274 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,274 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,274 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 10:30:03,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 10:30:03,274 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 10:30:03,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,291 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,291 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 10:30:03,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 10:30:03,291 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,291 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:30:03,291 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:30:03,291 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:30:03,291 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,291 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:30:03,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,293 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,293 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:30:03,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:30:03,293 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:30:03,309 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,309 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,310 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:30:03,310 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:30:03,310 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:30:03,310 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,310 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:30:03,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,311 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,311 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:30:03,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:30:03,312 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:30:03,328 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,328 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,328 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:30:03,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:30:03,328 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,328 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:30:03,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,330 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,330 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,330 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 10:30:03,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 10:30:03,330 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 10:30:03,346 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,346 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,347 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 10:30:03,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 10:30:03,347 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,347 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:30:03,347 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:30:03,347 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:30:03,347 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,347 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:30:03,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,348 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,348 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,349 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:30:03,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:30:03,349 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:30:03,365 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,365 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,366 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:30:03,366 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:30:03,366 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:30:03,366 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,366 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:30:03,366 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,366 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,366 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,368 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,368 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,368 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:30:03,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:30:03,368 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:30:03,385 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,385 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,386 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:30:03,386 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,388 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,388 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,388 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:30:03,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:30:03,388 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:30:03,405 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,405 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,405 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:30:03,405 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,405 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,405 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,408 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,408 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,408 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:30:03,408 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:30:03,408 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:30:03,424 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,425 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,425 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:30:03,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,427 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,427 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,427 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:30:03,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:30:03,427 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:30:03,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,445 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,445 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:30:03,445 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:30:03,445 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:30:03,445 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,445 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:30:03,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,447 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,447 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:30:03,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:30:03,447 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:30:03,463 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,464 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,464 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:30:03,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:30:03,464 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,464 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:30:03,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,466 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,466 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,466 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:30:03,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:30:03,466 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:30:03,483 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,483 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,483 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:30:03,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:30:03,483 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,483 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:30:03,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,485 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,485 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:30:03,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:30:03,485 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:30:03,502 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,502 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,502 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:30:03,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:30:03,502 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,502 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:30:03,502 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:30:03,503 - INFO - problem_instance short name: li2_0
-2024-12-09 10:30:03,503 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,503 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:30:03,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,504 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,504 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,504 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:30:03,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:30:03,504 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:30:03,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,521 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,522 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:30:03,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:30:03,522 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,522 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:30:03,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,523 - INFO - number of orbitals:  110
-2024-12-09 10:30:03,523 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,523 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,523 - INFO - moving on ...
-2024-12-09 10:30:03,523 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:30:03,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,525 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,525 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,525 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:30:03,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:30:03,525 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:30:03,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,542 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,542 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:30:03,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:30:03,542 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,542 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:30:03,542 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:30:03,542 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:30:03,542 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,542 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:30:03,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,544 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,544 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:30:03,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:30:03,544 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:30:03,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,561 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,561 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:30:03,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:30:03,562 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,562 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:30:03,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,563 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,563 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,563 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:30:03,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:30:03,563 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:30:03,580 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,580 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,580 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:30:03,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:30:03,580 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,580 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:30:03,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,582 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,582 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:30:03,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:30:03,582 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:30:03,599 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,599 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,599 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:30:03,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:30:03,599 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,599 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:30:03,600 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:30:03,600 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:30:03,600 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,600 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:30:03,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,601 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,601 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,601 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:30:03,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:30:03,601 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:30:03,618 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,618 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,618 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:30:03,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:30:03,618 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,618 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:30:03,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,620 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,620 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,620 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 10:30:03,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 10:30:03,620 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 10:30:03,636 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,637 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,637 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 10:30:03,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 10:30:03,637 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,637 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:30:03,637 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:30:03,637 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:30:03,637 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,637 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:30:03,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,639 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,639 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,639 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:30:03,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:30:03,639 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:30:03,655 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,656 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,656 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:30:03,656 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:30:03,656 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:30:03,656 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,656 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:30:03,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,657 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,657 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,658 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,658 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,659 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:30:03,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:30:03,659 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:30:03,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,675 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,675 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:30:03,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,677 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,678 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,678 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:30:03,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:30:03,678 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:30:03,695 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,695 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,695 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:30:03,695 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,695 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,695 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,697 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,698 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,698 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:30:03,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:30:03,698 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:30:03,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,715 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,715 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:30:03,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,717 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,717 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,717 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:30:03,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:30:03,717 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:30:03,734 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,734 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,735 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:30:03,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,737 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,737 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,737 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:30:03,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:30:03,737 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:30:03,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,755 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,755 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:30:03,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,757 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,757 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,757 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:30:03,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:30:03,757 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:30:03,774 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,775 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,775 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:30:03,775 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,777 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,777 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:30:03,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:30:03,777 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:30:03,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,794 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,794 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:30:03,794 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,794 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,797 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,797 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:30:03,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:30:03,797 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:30:03,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,814 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,814 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:30:03,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,816 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,816 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:30:03,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:30:03,817 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:30:03,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,834 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,834 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:30:03,834 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:30:03,834 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:30:03,834 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,834 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:30:03,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,836 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,836 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:30:03,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:30:03,836 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:30:03,853 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,853 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,853 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:30:03,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:30:03,853 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,853 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:30:03,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,855 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,855 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 10:30:03,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 10:30:03,855 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 10:30:03,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,872 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,872 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 10:30:03,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 10:30:03,872 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,872 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:30:03,872 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:30:03,872 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:30:03,872 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,872 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:30:03,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,874 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,874 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:30:03,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:30:03,874 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:30:03,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,890 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,890 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:30:03,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:30:03,891 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,891 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:30:03,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,892 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,892 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,892 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:30:03,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:30:03,892 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:30:03,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,909 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,909 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:30:03,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:30:03,909 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,909 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:30:03,910 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:30:03,910 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:30:03,910 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,910 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:30:03,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,911 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,911 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:30:03,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:30:03,912 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:30:03,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,928 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,929 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:30:03,929 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:30:03,929 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:30:03,929 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,929 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:30:03,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,930 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,930 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:30:03,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:30:03,931 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:30:03,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,947 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,947 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:30:03,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:30:03,947 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,947 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:30:03,947 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:30:03,948 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:30:03,948 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,948 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:30:03,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,949 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,949 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:30:03,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:30:03,949 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:30:03,967 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,967 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,967 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:30:03,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:30:03,967 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,967 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:30:03,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,969 - INFO - number of orbitals:  116
-2024-12-09 10:30:03,969 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,969 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,969 - INFO - moving on ...
-2024-12-09 10:30:03,969 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:30:03,969 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:30:03,969 - INFO - problem_instance short name: O_1
-2024-12-09 10:30:03,970 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,970 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:30:03,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,971 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,971 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,971 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:30:03,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:30:03,971 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:30:03,988 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,988 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,988 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:30:03,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:30:03,988 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,988 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:30:03,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,990 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,990 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,990 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:30:03,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:30:03,990 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:30:04,006 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,007 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,007 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:30:04,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:30:04,007 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,007 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:30:04,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,009 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,009 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,009 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:30:04,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:30:04,009 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:30:04,025 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,026 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,026 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:30:04,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:30:04,026 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,026 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:30:04,026 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:30:04,026 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:30:04,026 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,026 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:30:04,026 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,026 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,026 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,028 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,028 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,028 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:30:04,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:30:04,029 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:30:04,044 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,045 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,045 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:30:04,045 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,045 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,045 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,047 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,047 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,047 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:30:04,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:30:04,047 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:30:04,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,064 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,064 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:30:04,064 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,066 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,066 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,066 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:30:04,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:30:04,066 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:30:04,083 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,083 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,083 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:30:04,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,085 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,085 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:30:04,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:30:04,085 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:30:04,102 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,102 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,102 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:30:04,102 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,102 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,102 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,104 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,104 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:30:04,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:30:04,105 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:30:04,121 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,121 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,121 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:30:04,121 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,122 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,122 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,124 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,124 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:30:04,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:30:04,124 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:30:04,140 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,140 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,141 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:30:04,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,143 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,143 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,143 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:30:04,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:30:04,143 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:30:04,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,160 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,160 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:30:04,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,162 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,162 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,162 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:30:04,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:30:04,162 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:30:04,178 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,179 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,179 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:30:04,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,181 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,181 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:30:04,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:30:04,181 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:30:04,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,198 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,198 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:30:04,198 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,199 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,199 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,201 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,201 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,201 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:30:04,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:30:04,201 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:30:04,218 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,218 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,218 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:30:04,218 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,218 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,218 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,220 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,221 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,221 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:30:04,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:30:04,221 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:30:04,237 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,238 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,238 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:30:04,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,240 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,240 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:30:04,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:30:04,240 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:30:04,257 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,257 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,258 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:30:04,258 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:30:04,258 - INFO - problem_instance short name: be_0
-2024-12-09 10:30:04,258 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,258 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:30:04,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,259 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,259 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,260 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:30:04,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:30:04,260 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:30:04,276 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,277 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,277 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:30:04,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:30:04,277 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,277 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:30:04,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,278 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,278 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:30:04,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:30:04,279 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:30:04,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,295 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,296 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:30:04,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:30:04,296 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,296 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:30:04,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,297 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,297 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,297 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:30:04,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:30:04,297 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:30:04,314 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,314 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,314 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:30:04,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:30:04,314 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,314 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:30:04,315 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:30:04,315 - INFO - problem_instance short name: f2_0
-2024-12-09 10:30:04,315 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,315 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:30:04,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,316 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,316 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:30:04,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:30:04,317 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:30:04,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,333 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,333 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:30:04,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:30:04,334 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,334 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:30:04,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,335 - INFO - number of orbitals:  110
-2024-12-09 10:30:04,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,335 - INFO - moving on ...
-2024-12-09 10:30:04,335 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:30:04,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,337 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,337 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,337 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:30:04,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:30:04,337 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:30:04,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,354 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,354 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:30:04,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:30:04,354 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,354 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:30:04,354 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:30:04,354 - INFO - problem_instance short name: n2_0
-2024-12-09 10:30:04,354 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,354 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:30:04,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,356 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,356 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:30:04,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:30:04,356 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:30:04,372 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,373 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,373 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:30:04,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:30:04,373 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,373 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:30:04,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,375 - INFO - number of orbitals:  110
-2024-12-09 10:30:04,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,375 - INFO - moving on ...
-2024-12-09 10:30:04,375 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:30:04,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,376 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,376 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,376 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:30:04,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:30:04,376 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:30:04,393 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,393 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,393 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:30:04,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:30:04,393 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,393 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:30:04,394 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:30:04,394 - INFO - problem_instance short name: fe_red
-2024-12-09 10:30:04,394 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,394 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:30:04,394 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,396 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,396 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,396 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:30:04,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:30:04,396 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:30:04,413 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,413 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,413 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:30:04,414 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,414 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,414 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,416 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,416 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,416 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:30:04,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:30:04,416 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:30:04,433 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,433 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,433 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:30:04,433 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,433 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,433 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,435 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,435 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,435 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:30:04,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:30:04,436 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:30:04,452 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,453 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,453 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:30:04,453 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,453 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,453 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,455 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,455 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,455 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:30:04,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:30:04,455 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:30:04,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,472 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,472 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:30:04,472 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,474 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,474 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,474 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:30:04,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:30:04,474 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:30:04,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,491 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,491 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:30:04,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,493 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,493 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,493 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:30:04,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:30:04,494 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:30:04,510 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,510 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,511 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:30:04,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,513 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,513 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,513 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:30:04,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:30:04,513 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:30:04,529 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,530 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,530 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:30:04,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,530 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,532 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,532 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,532 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:30:04,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:30:04,532 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:30:04,549 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,549 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,550 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:30:04,550 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,552 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,552 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,552 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:30:04,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:30:04,552 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:30:04,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,569 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,569 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:30:04,569 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:30:04,570 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:30:04,570 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,570 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:30:04,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,571 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,571 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,571 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:30:04,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:30:04,571 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:30:04,588 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,588 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,588 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:30:04,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:30:04,588 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,588 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:30:04,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,590 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,590 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 10:30:04,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 10:30:04,590 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 10:30:04,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,607 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,607 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 10:30:04,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 10:30:04,607 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,607 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:30:04,607 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:30:04,607 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:30:04,607 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,608 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:30:04,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,609 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,609 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:30:04,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:30:04,609 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:30:04,625 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,626 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,626 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:30:04,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:30:04,626 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,626 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:30:04,626 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:30:04,626 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:30:04,626 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,626 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:30:04,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,628 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,628 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:30:04,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:30:04,628 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:30:04,644 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,645 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,645 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:30:04,645 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:30:04,645 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:30:04,645 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,645 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:30:04,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,647 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,647 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,647 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:30:04,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:30:04,647 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:30:04,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,664 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,664 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:30:04,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:30:04,664 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,664 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:30:04,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,666 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,666 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:30:04,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:30:04,666 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:30:04,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,683 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,683 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:30:04,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:30:04,683 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,683 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:30:04,683 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:30:04,683 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:30:04,683 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,683 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:30:04,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,685 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,685 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,685 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:30:04,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:30:04,685 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:30:04,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,702 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,702 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:30:04,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:30:04,702 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,702 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:30:04,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,704 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,704 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,704 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 10:30:04,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 10:30:04,704 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 10:30:04,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,721 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,721 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 10:30:04,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 10:30:04,721 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,722 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:30:04,722 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:30:04,722 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:30:04,722 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,722 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:30:04,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,723 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,723 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,723 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:30:04,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:30:04,724 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:30:04,740 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,741 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,741 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:30:04,741 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:30:04,741 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:30:04,741 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,741 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:30:04,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,743 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,743 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,743 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:30:04,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:30:04,743 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:30:04,759 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,760 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,760 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:30:04,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:30:04,760 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,760 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:30:04,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,761 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,761 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,762 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 10:30:04,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 10:30:04,762 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 10:30:04,778 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,778 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,779 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 10:30:04,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 10:30:04,779 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,779 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:30:04,779 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:30:04,779 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:30:04,779 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,779 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:30:04,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,781 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,781 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,781 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:30:04,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:30:04,781 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:30:04,798 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,798 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,798 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:30:04,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:30:04,798 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,798 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:30:04,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,800 - INFO - number of orbitals:  106
-2024-12-09 10:30:04,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,800 - INFO - moving on ...
-2024-12-09 10:30:04,800 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:30:04,800 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:30:04,800 - INFO - problem_instance short name: p2_0
-2024-12-09 10:30:04,800 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,800 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:30:04,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,801 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,802 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,802 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:30:04,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:30:04,802 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:30:04,818 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,818 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,818 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:30:04,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:30:04,819 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,819 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:30:04,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,820 - INFO - number of orbitals:  118
-2024-12-09 10:30:04,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,820 - INFO - moving on ...
-2024-12-09 10:30:04,820 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:30:04,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,822 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,822 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:30:04,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:30:04,822 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:30:04,838 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,838 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,838 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:30:04,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:30:04,839 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,839 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:30:04,839 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:30:04,839 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:30:04,839 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,839 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:30:04,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,840 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,840 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,840 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:30:04,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:30:04,841 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:30:04,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,858 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,858 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:30:04,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:30:04,858 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,858 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:30:04,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,859 - INFO - number of orbitals:  114
-2024-12-09 10:30:04,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,860 - INFO - moving on ...
-2024-12-09 10:30:04,860 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:30:04,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,861 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,861 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,861 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:30:04,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:30:04,861 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:30:04,877 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,878 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,878 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:30:04,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:30:04,878 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,878 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:30:04,878 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:30:04,878 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:30:04,878 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,878 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:30:04,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,880 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,880 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,880 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:30:04,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:30:04,880 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:30:04,897 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,897 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,897 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:30:04,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:30:04,897 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,897 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:30:04,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,899 - INFO - number of orbitals:  115
-2024-12-09 10:30:04,899 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,899 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,899 - INFO - moving on ...
-2024-12-09 10:30:04,899 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:30:04,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,901 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,901 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,901 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:30:04,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:30:04,901 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:30:04,917 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,918 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,918 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:30:04,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:30:04,918 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,918 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:30:04,918 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:30:04,918 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:30:04,918 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,918 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:30:04,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,920 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,920 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,920 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:30:04,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:30:04,920 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:30:04,937 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,937 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,937 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:30:04,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:30:04,938 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,938 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:30:04,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,939 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,939 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,939 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:30:04,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:30:04,939 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:30:04,956 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,956 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,956 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:30:04,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:30:04,956 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,956 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:30:04,957 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:30:04,957 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:30:04,957 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,957 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:30:04,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,958 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,958 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:30:04,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:30:04,958 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:30:04,975 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,975 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,975 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:30:04,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:30:04,976 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,976 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:30:04,976 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:30:04,976 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:30:04,976 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,976 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:30:04,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,977 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,977 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,977 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:30:04,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:30:04,978 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:30:04,994 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,994 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,995 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:30:04,995 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:30:04,995 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:30:04,995 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,995 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:30:04,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,996 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,997 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,997 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:30:04,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:30:04,997 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:30:05,013 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,014 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,014 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:30:05,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:30:05,014 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,014 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:30:05,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,015 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,015 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,015 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 10:30:05,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 10:30:05,016 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 10:30:05,032 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,032 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,032 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 10:30:05,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 10:30:05,032 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,032 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:30:05,033 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:30:05,033 - INFO - problem_instance short name: V_1
-2024-12-09 10:30:05,033 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,033 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:30:05,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,034 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,034 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,034 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:30:05,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:30:05,034 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:30:05,051 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,051 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,051 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:30:05,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:30:05,051 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,051 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:30:05,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,053 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,053 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 10:30:05,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 10:30:05,053 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 10:30:05,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,070 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,070 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 10:30:05,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 10:30:05,070 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,070 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:30:05,070 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:30:05,070 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:30:05,070 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,070 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:30:05,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,072 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,072 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:30:05,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:30:05,072 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:30:05,089 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,089 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,089 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:30:05,089 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:30:05,089 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:30:05,089 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,090 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:30:05,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,091 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,091 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:30:05,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:30:05,091 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:30:05,108 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,108 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,108 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:30:05,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:30:05,108 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,108 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:30:05,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,110 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,110 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,110 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 10:30:05,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 10:30:05,110 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 10:30:05,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,127 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,127 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 10:30:05,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 10:30:05,127 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,127 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:30:05,127 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:30:05,127 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:30:05,127 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,127 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:30:05,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,129 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,129 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:30:05,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:30:05,129 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:30:05,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,146 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,146 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:30:05,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:30:05,146 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,146 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:30:05,146 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:30:05,146 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:30:05,146 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,146 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:30:05,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,148 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,148 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:30:05,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:30:05,148 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:30:05,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,165 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,166 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:30:05,166 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:30:05,166 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:30:05,166 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,166 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:30:05,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,167 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,168 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,168 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:30:05,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:30:05,168 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:30:05,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,185 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,185 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:30:05,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:30:05,185 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,185 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:30:05,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,187 - INFO - number of orbitals:  116
-2024-12-09 10:30:05,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,187 - INFO - moving on ...
-2024-12-09 10:30:05,187 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:30:05,187 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:30:05,187 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:30:05,187 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,187 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:30:05,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,189 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,189 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:30:05,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:30:05,189 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:30:05,205 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,206 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,206 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:30:05,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:30:05,206 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,206 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:30:05,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,208 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,208 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 10:30:05,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 10:30:05,208 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 10:30:05,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,225 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,225 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 10:30:05,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 10:30:05,225 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,225 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:30:05,225 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:30:05,226 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:30:05,226 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,226 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:30:05,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,227 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,227 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:30:05,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:30:05,227 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:30:05,244 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,245 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,245 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:30:05,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:30:05,245 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,245 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:30:05,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,247 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,247 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,247 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 10:30:05,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 10:30:05,247 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 10:30:05,263 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,263 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,264 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 10:30:05,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 10:30:05,264 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,264 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:30:05,264 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:30:05,264 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:30:05,264 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,264 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:30:05,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,266 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,266 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:30:05,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:30:05,266 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:30:05,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,282 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,282 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:30:05,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:30:05,282 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,282 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:30:05,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,284 - INFO - number of orbitals:  110
-2024-12-09 10:30:05,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,284 - INFO - moving on ...
-2024-12-09 10:30:05,284 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:30:05,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,285 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,285 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,285 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:30:05,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:30:05,285 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:30:05,301 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,302 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,302 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:30:05,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:30:05,302 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,302 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:30:05,302 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:30:05,302 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:30:05,302 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,302 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:30:05,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,304 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,304 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,304 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:30:05,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:30:05,304 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:30:05,320 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,321 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,321 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:30:05,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:30:05,321 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,321 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:30:05,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,323 - INFO - number of orbitals:  135
-2024-12-09 10:30:05,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,323 - INFO - moving on ...
-2024-12-09 10:30:05,323 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:30:05,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,324 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,324 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,324 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 10:30:05,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 10:30:05,324 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 10:30:05,340 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,341 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,341 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 10:30:05,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 10:30:05,341 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,341 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:30:05,341 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:30:05,341 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:30:05,341 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,341 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:30:05,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,343 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,343 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,343 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:30:05,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:30:05,343 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:30:05,359 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,360 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,360 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:30:05,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:30:05,360 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,360 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:30:05,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,362 - INFO - number of orbitals:  119
-2024-12-09 10:30:05,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,362 - INFO - moving on ...
-2024-12-09 10:30:05,362 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:30:05,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,363 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,363 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,363 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:30:05,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:30:05,363 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:30:05,379 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,380 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,380 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:30:05,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:30:05,380 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,380 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:30:05,380 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:30:05,380 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:30:05,380 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,380 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:30:05,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,382 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,382 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,382 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:30:05,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:30:05,382 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:30:05,398 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,399 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,399 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:30:05,399 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:30:05,399 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,399 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:30:05,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,400 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,401 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,401 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:30:05,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:30:05,401 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:30:05,417 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,418 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,418 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:30:05,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:30:05,418 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,418 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:30:05,418 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:30:05,418 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:30:05,418 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,418 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:30:05,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,420 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,420 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,420 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:30:05,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:30:05,420 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:30:05,436 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,437 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,437 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:30:05,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:30:05,437 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,437 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:30:05,437 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:30:05,437 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:30:05,437 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,437 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:30:05,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,439 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,439 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,439 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:30:05,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:30:05,439 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:30:05,456 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,456 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,456 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:30:05,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:30:05,456 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,456 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:30:05,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,458 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,458 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,458 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 10:30:05,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 10:30:05,458 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 10:30:05,475 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,475 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,475 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 10:30:05,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 10:30:05,475 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,475 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:30:05,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,477 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,477 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,477 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:30:05,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:30:05,477 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:30:05,494 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,494 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,494 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:30:05,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:30:05,494 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,494 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:30:05,495 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:30:05,495 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:30:05,495 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,495 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:30:05,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,496 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,496 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,496 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:30:05,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:30:05,496 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:30:05,513 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,513 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,513 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:30:05,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:30:05,513 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,513 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:30:05,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,515 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,515 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,515 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-09 10:30:05,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
-2024-12-09 10:30:05,515 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
-2024-12-09 10:30:05,531 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,532 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,532 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
-2024-12-09 10:30:05,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
-2024-12-09 10:30:05,532 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,532 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:30:05,532 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:30:05,532 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:30:05,532 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,532 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:30:05,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,534 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,534 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:30:05,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:30:05,534 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:30:05,550 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,551 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,551 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:30:05,551 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:30:05,551 - INFO - problem_instance short name: O_0
-2024-12-09 10:30:05,551 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,551 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:30:05,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,553 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,553 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,553 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:30:05,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:30:05,553 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:30:05,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,570 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,570 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:30:05,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:30:05,570 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,570 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:30:05,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,572 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,572 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:30:05,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:30:05,572 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:30:05,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,589 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,589 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:30:05,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:30:05,589 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,590 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:30:05,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,591 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,591 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,591 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:30:05,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:30:05,591 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:30:05,608 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,608 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,608 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:30:05,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:30:05,608 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,608 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:30:05,608 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:30:05,609 - INFO - problem_instance short name: ozone
-2024-12-09 10:30:05,609 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,609 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:30:05,609 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,609 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,609 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,611 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,611 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,611 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:30:05,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:30:05,611 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:30:05,628 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,628 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,628 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:30:05,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,630 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,631 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,631 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:30:05,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:30:05,631 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:30:05,647 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,647 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,647 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:30:05,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,650 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,650 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 10:30:05,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 10:30:05,650 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 10:30:05,667 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,667 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,667 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:30:05,667 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,667 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,667 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,669 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,669 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,669 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:30:05,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:30:05,669 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:30:05,686 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,687 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,687 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:30:05,687 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,687 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,687 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,689 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,689 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,689 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:30:05,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:30:05,689 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:30:05,707 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,707 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,707 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:30:05,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,707 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,707 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,710 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,710 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,710 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 10:30:05,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 10:30:05,710 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 10:30:05,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,728 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,728 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:30:05,728 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:30:05,728 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:30:05,728 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,728 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:30:05,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,730 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,730 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,730 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:30:05,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:30:05,730 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:30:05,747 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,747 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,747 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:30:05,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:30:05,747 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,747 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:30:05,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,749 - INFO - number of orbitals:  115
-2024-12-09 10:30:05,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,749 - INFO - moving on ...
-2024-12-09 10:30:05,749 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:30:05,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,751 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,751 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,751 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:30:05,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:30:05,751 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:30:05,767 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,768 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,768 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:30:05,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:30:05,768 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,768 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:30:05,768 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:30:05,768 - INFO - problem_instance short name: VO_0
-2024-12-09 10:30:05,768 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,768 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:30:05,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,770 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,770 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,770 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:30:05,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:30:05,770 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:30:05,786 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,787 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,787 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:30:05,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:30:05,787 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,787 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:30:05,787 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:30:05,788 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:30:05,788 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,788 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:30:05,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,789 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,789 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,789 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:30:05,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:30:05,789 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:30:05,806 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,806 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,806 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:30:05,807 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:30:05,807 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:30:05,807 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,807 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:30:05,807 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,807 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,807 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,809 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,809 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,809 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:30:05,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:30:05,809 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:30:05,825 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,826 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,826 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:30:05,826 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,828 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,828 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,828 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:30:05,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:30:05,828 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:30:05,845 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,845 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,845 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:30:05,845 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,845 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,847 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,847 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,847 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:30:05,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:30:05,848 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:30:05,864 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,865 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,865 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:30:05,865 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,865 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,865 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,867 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,867 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,867 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:30:05,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:30:05,867 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:30:05,885 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,885 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,885 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:30:05,885 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,886 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,886 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,888 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,888 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,888 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:30:05,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:30:05,888 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:30:05,904 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,904 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,904 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:30:05,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,906 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,906 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,906 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:30:05,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:30:05,907 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:30:05,923 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,923 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,924 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:30:05,924 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:30:05,924 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:30:05,924 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,924 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:30:05,924 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,924 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,927 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,927 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:30:05,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:30:05,927 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:30:05,943 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,944 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,944 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:30:05,944 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,944 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,946 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,946 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,946 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:30:05,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:30:05,946 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:30:05,963 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,963 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,963 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:30:05,963 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,963 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,963 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,965 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,965 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:30:05,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:30:05,966 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:30:05,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,982 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,982 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:30:05,983 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:30:05,983 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:30:05,983 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,983 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:30:05,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,984 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,985 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:30:05,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:30:05,985 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:30:06,002 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,002 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,002 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:30:06,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:30:06,002 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,002 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:30:06,003 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:30:06,003 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:30:06,003 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,003 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:30:06,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,004 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,006 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,006 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,006 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:30:06,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:30:06,006 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:30:06,024 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,024 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,024 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:30:06,024 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,027 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,027 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:30:06,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:30:06,027 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:30:06,044 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,044 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,044 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:30:06,044 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,045 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,047 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,047 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,047 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:30:06,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:30:06,047 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:30:06,064 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,065 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,065 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:30:06,065 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,065 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,065 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,067 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,067 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,067 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:30:06,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:30:06,067 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:30:06,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,085 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,085 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:30:06,085 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,085 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,085 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,087 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,087 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,087 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:30:06,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:30:06,087 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:30:06,104 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,105 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,105 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:30:06,105 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,105 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,105 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,107 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,107 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,107 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:30:06,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:30:06,108 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:30:06,125 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,125 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,125 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:30:06,125 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,125 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,126 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,128 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,128 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,128 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:30:06,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:30:06,128 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:30:06,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,146 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,146 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:30:06,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,146 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,146 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,148 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,148 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:30:06,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:30:06,148 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:30:06,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,166 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,166 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:30:06,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,168 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,168 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:30:06,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:30:06,168 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:30:06,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,184 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,185 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:30:06,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,187 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,187 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,187 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:30:06,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:30:06,187 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:30:06,204 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,204 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,204 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:30:06,204 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,204 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,207 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,207 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:30:06,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:30:06,207 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:30:06,224 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,225 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,225 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:30:06,225 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,225 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,225 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,227 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,227 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:30:06,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:30:06,227 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:30:06,244 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,245 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,245 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:30:06,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,245 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,245 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,247 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,248 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,248 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:30:06,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:30:06,248 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:30:06,269 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,270 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,270 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:30:06,270 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,270 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,270 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,272 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,272 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:30:06,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:30:06,273 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:30:06,289 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,289 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,289 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:30:06,289 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,290 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,292 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,292 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:30:06,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:30:06,292 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:30:06,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,309 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,309 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:30:06,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,309 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,309 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,311 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,311 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:30:06,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:30:06,311 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:30:06,328 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,329 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,329 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:30:06,329 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:30:06,329 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:30:06,329 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,329 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:30:06,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,331 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,331 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:30:06,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:30:06,331 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:30:06,348 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,348 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,348 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:30:06,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:30:06,348 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,348 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:30:06,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,350 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,350 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,350 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 10:30:06,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 10:30:06,350 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 10:30:06,366 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,367 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,367 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 10:30:06,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 10:30:06,367 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,367 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:30:06,367 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:30:06,367 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:30:06,367 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,367 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:30:06,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,369 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,369 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:30:06,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:30:06,369 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:30:06,386 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,386 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,386 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:30:06,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:30:06,387 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,387 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:30:06,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,388 - INFO - number of orbitals:  118
-2024-12-09 10:30:06,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:06,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:06,388 - INFO - moving on ...
-2024-12-09 10:30:06,388 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:30:06,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,390 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,390 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:30:06,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:30:06,390 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:30:06,407 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,407 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,407 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:30:06,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:30:06,407 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,407 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:30:06,407 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:30:06,408 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:30:06,408 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,408 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:30:06,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,409 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,409 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:30:06,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:30:06,409 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:30:06,427 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,428 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,428 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:30:06,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:30:06,428 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,428 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:30:06,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,430 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,430 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:30:06,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:30:06,430 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:30:06,446 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,446 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,447 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:30:06,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:30:06,447 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,447 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:30:06,447 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:30:06,447 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:30:06,447 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,447 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:30:06,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,449 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,449 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,449 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:30:06,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:30:06,449 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,466 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,466 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,466 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:30:06,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:30:06,467 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,467 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:30:06,467 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:30:06,467 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:30:06,467 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,467 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:30:06,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,469 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,470 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:30:06,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:30:06,470 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:30:06,487 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,487 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,487 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:30:06,488 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,488 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,488 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,490 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,490 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,490 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:30:06,490 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:30:06,490 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:30:06,507 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,507 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,507 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:30:06,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,508 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,508 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,509 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,510 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,510 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:30:06,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:30:06,510 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,526 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,527 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,527 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:30:06,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,529 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,529 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,529 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:30:06,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:30:06,529 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,546 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,547 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,547 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:30:06,547 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,547 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,547 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,549 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,549 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,549 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:30:06,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:30:06,549 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:30:06,566 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,566 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,566 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:30:06,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,569 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,569 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,569 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:30:06,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:30:06,569 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:30:06,585 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,586 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,586 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:30:06,586 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,586 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,586 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,588 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,588 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,588 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:30:06,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:30:06,588 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:30:06,605 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,605 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,605 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:30:06,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,606 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,606 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,608 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,608 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,608 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:30:06,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:30:06,608 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:30:06,625 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,625 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,625 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:30:06,625 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,626 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,626 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,628 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,628 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:30:06,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:30:06,628 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:30:06,644 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,645 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,645 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:30:06,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,647 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,647 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,647 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:30:06,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:30:06,647 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:30:06,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,664 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,664 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:30:06,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,665 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,665 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,667 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,667 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,667 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:30:06,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:30:06,667 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,683 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,684 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,684 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:30:06,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,686 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,686 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,686 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:30:06,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:30:06,686 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:30:06,703 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,703 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,703 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:30:06,703 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:30:06,704 - INFO - problem_instance short name: benzene
-2024-12-09 10:30:06,704 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,704 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:30:06,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,704 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,704 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,706 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,706 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,706 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:30:06,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:30:06,706 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:30:06,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,723 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,723 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:30:06,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,725 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,725 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,725 - INFO - supporting data file UUID: 96ff0e22-a3ab-49f3-aee9-9a1886cbf850.
-2024-12-09 10:30:06,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz.
-2024-12-09 10:30:06,725 - INFO - assuming FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz is an FCIDUMP file.
-2024-12-09 10:30:06,742 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,742 - INFO - instance_data_object_uuid 96ff0e22-a3ab-49f3-aee9-9a1886cbf850 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,743 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:30:06,743 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:30:06,743 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:30:06,743 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,743 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:30:06,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,745 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,745 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,745 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:30:06,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:30:06,745 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:30:06,763 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,764 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,765 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:30:06,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:30:06,765 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,765 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:30:06,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,767 - INFO - number of orbitals:  135
-2024-12-09 10:30:06,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:06,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:06,767 - INFO - moving on ...
-2024-12-09 10:30:06,767 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:30:06,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,768 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,768 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,768 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:30:06,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:30:06,769 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:30:06,785 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,785 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,785 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:30:06,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:30:06,786 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,786 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:30:06,786 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:30:06,786 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:30:06,786 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,786 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:30:06,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,787 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,788 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,788 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:30:06,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:30:06,788 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:30:06,805 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,805 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,805 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:30:06,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:30:06,805 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,805 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:30:06,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,807 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,807 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,807 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:30:06,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:30:06,807 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:30:06,824 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,824 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,824 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:30:06,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:30:06,824 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,824 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:30:06,825 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:30:06,825 - INFO - problem_instance short name: V_0
-2024-12-09 10:30:06,825 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,825 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:30:06,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,826 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,826 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,827 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:30:06,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:30:06,827 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:30:06,843 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,844 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,844 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:30:06,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:30:06,844 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,844 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:30:06,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,846 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,846 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,846 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:30:06,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:30:06,846 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:30:06,862 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,863 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,863 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:30:06,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:30:06,863 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,863 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:30:06,863 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:30:06,863 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:30:06,863 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,863 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:30:06,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,865 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,865 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,865 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:30:06,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:30:06,865 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:30:06,881 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,882 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,882 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:30:06,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:30:06,882 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,882 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:30:06,882 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:30:06,882 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:30:06,882 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,882 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:30:06,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,884 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,884 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,884 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:30:06,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:30:06,884 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:30:06,901 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,901 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,901 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:30:06,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:30:06,901 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,901 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:30:06,902 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:30:06,902 - INFO - problem_instance short name: na2_0
-2024-12-09 10:30:06,902 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,902 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:30:06,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,903 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,903 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,903 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:30:06,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:30:06,903 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:30:06,920 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,921 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,921 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:30:06,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:30:06,921 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,921 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:30:06,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,923 - INFO - number of orbitals:  118
-2024-12-09 10:30:06,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:06,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:06,923 - INFO - moving on ...
-2024-12-09 10:30:06,923 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:30:06,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,924 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,924 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,924 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:30:06,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:30:06,924 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:30:06,941 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,941 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,942 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:30:06,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:30:06,942 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,942 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:30:06,942 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:30:06,942 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:30:06,942 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,942 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:30:06,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,943 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,943 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,945 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,945 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:30:06,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:30:06,945 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,962 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,962 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,963 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:30:06,963 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,963 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,963 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,965 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,965 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:30:06,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:30:06,965 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:30:06,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,982 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,982 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:30:06,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,985 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,985 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,985 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:30:06,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:30:06,985 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:30:07,002 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,002 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,003 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:30:07,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,003 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,005 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,005 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,005 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:30:07,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:30:07,005 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:30:07,022 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,022 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,023 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:30:07,023 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,023 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,023 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,025 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,025 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,025 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:30:07,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:30:07,025 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:30:07,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,043 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,043 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:30:07,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,043 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,043 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,045 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,046 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:30:07,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:30:07,046 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:30:07,062 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,063 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,063 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:30:07,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,065 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,065 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,065 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:30:07,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:30:07,065 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:30:07,082 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,082 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,083 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:30:07,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,085 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,085 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:30:07,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:30:07,085 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:30:07,101 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,102 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,102 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:30:07,102 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:30:07,102 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:30:07,102 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,102 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:30:07,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,104 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,104 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:30:07,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:30:07,104 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:30:07,121 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,121 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,121 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:30:07,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:30:07,121 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,121 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:30:07,122 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:30:07,122 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:30:07,122 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,122 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:30:07,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,123 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,123 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:30:07,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:30:07,123 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:30:07,140 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,140 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,140 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:30:07,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:30:07,140 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,141 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:30:07,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,142 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,142 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,142 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:30:07,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:30:07,142 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:30:07,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,159 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,159 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:30:07,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:30:07,159 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,159 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:30:07,159 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:30:07,160 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:30:07,160 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,160 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:30:07,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,161 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,161 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:30:07,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:30:07,161 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:30:07,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,177 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,178 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:30:07,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:30:07,178 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,178 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:30:07,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,179 - INFO - number of orbitals:  119
-2024-12-09 10:30:07,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:07,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:07,179 - INFO - moving on ...
-2024-12-09 10:30:07,179 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:30:07,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,181 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,181 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:30:07,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:30:07,181 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:30:07,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,198 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,198 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:30:07,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:30:07,198 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,199 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:30:07,199 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:30:07,199 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:30:07,199 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,199 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:30:07,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,200 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,200 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,200 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:30:07,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:30:07,201 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:30:07,217 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,217 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,217 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:30:07,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:30:07,217 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,218 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:30:07,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,219 - INFO - number of orbitals:  135
-2024-12-09 10:30:07,219 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:07,219 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:07,219 - INFO - moving on ...
-2024-12-09 10:30:07,219 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:30:07,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,220 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,221 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,221 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:30:07,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:30:07,221 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:30:07,237 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,237 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,237 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:30:07,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:30:07,237 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,237 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:30:07,238 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:30:07,238 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:30:07,238 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,238 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:30:07,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,239 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,239 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,239 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:30:07,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:30:07,240 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:30:07,256 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,256 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,257 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:30:07,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:30:07,257 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,257 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:30:07,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,258 - INFO - number of orbitals:  118
-2024-12-09 10:30:07,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:07,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:07,259 - INFO - moving on ...
-2024-12-09 10:30:07,259 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:30:07,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,260 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,260 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,260 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:30:07,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:30:07,261 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:30:07,277 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,278 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,278 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:30:07,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:30:07,278 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,278 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:30:07,278 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:30:07,278 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:30:07,278 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,279 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:30:07,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,280 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,280 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,280 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:30:07,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:30:07,280 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:30:07,297 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,297 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,298 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:30:07,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:30:07,298 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,298 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:30:07,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,299 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,299 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,299 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:30:07,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:30:07,299 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:30:07,316 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,316 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,316 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:30:07,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:30:07,316 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,316 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:30:07,316 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:30:07,316 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:30:07,317 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,317 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:30:07,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,318 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,318 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,318 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:30:07,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:30:07,318 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:30:07,336 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,336 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,336 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:30:07,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:30:07,336 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,336 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:30:07,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,338 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,338 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,338 - INFO - supporting data file UUID: 2294b211-7a05-445e-810d-4c1706e1444c.
-2024-12-09 10:30:07,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz.
-2024-12-09 10:30:07,338 - INFO - assuming fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz is an FCIDUMP file.
-2024-12-09 10:30:07,355 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,355 - INFO - did NOT find instance_data_object_uuid 2294b211-7a05-445e-810d-4c1706e1444c in database.
-2024-12-09 10:30:07,355 - INFO - Processing instance_data_object_uuid 2294b211-7a05-445e-810d-4c1706e1444c ...
-2024-12-09 10:30:07,355 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz...
-2024-12-09 10:30:07,404 - INFO - Connected (version 2.0, client 0)
-2024-12-09 10:30:07,928 - INFO - Authentication (publickey) successful!
-2024-12-09 10:30:07,946 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-09 10:31:45,782 - INFO - [chan 0] sftp session closed.
-2024-12-09 10:31:45,782 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-09 10:31:45,782 - INFO - decompressing file fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz...
-2024-12-09 10:31:50,116 - INFO - this script has been running for 0.04 hours.
-2024-12-09 10:31:50,116 - INFO - ===============================================
-2024-12-09 10:31:50,116 - INFO - calculating Hamiltonian features...
-2024-12-09 10:31:50,116 - INFO - reading data from fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c
-2024-12-09 10:32:25,961 - INFO - finished reading FCIDUMP data.
-2024-12-09 10:32:25,961 - INFO - data['NORB']: 110
-2024-12-09 10:32:25,962 - INFO - len(data['H1']): 110
-2024-12-09 10:32:25,962 - INFO - ao2mo.restore...
-2024-12-09 10:32:26,534 - INFO - done.
-2024-12-09 10:32:26,535 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-09 10:32:26,535 - INFO - done.
-2024-12-09 10:32:26,535 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-09 14:54:46,153 - INFO - done.
-2024-12-09 14:54:46,153 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-09 15:23:43,006 - INFO - done.
-2024-12-09 15:23:43,006 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-09 15:27:26,897 - INFO - done.
-2024-12-09 15:27:26,897 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-09 15:28:27,923 - INFO - done.
-2024-12-09 15:28:27,924 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-09 15:28:27,927 - INFO - done.
-2024-12-09 15:28:27,927 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-09 15:28:27,928 - INFO - done.
-2024-12-09 15:28:45,172 - INFO - Hamiltonian features calculation run time (seconds): 17815.055222
-2024-12-09 15:28:45,172 - INFO - wrote df_eigs to file: df_eigs.2294b211-7a05-445e-810d-4c1706e1444c.bin
-2024-12-09 15:28:45,172 - INFO - deleting file fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.
-2024-12-09 15:28:45,255 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-09 15:28:45,270 - INFO - this script has been running for 4.99 hours.
-2024-12-09 15:28:45,271 - INFO - supporting data file UUID: e2d31834-f73d-46a0-ba41-fa67b298611c.
-2024-12-09 15:28:45,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVQZ.e2d31834-f73d-46a0-ba41-fa67b298611c.chk.
-2024-12-09 15:28:45,271 - INFO - assuming li_f_cc-pVQZ.e2d31834-f73d-46a0-ba41-fa67b298611c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,271 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 15:28:45,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,272 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,272 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 15:28:45,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 15:28:45,272 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 15:28:45,287 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,287 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,287 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 15:28:45,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 15:28:45,287 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,287 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 15:28:45,287 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 15:28:45,287 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 15:28:45,287 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,287 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 15:28:45,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,289 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,289 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,289 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 15:28:45,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 15:28:45,289 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 15:28:45,302 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,303 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,303 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 15:28:45,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 15:28:45,303 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,303 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 15:28:45,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,304 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,304 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,304 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 15:28:45,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 15:28:45,304 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 15:28:45,318 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,318 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,318 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 15:28:45,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 15:28:45,318 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,318 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 15:28:45,319 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 15:28:45,319 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 15:28:45,319 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,319 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 15:28:45,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,320 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,320 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,320 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 15:28:45,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 15:28:45,320 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 15:28:45,334 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,335 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,335 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 15:28:45,335 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 15:28:45,335 - INFO - problem_instance short name: Mn_0
-2024-12-09 15:28:45,335 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,335 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 15:28:45,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,337 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,337 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,337 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 15:28:45,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 15:28:45,337 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 15:28:45,351 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,351 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,351 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 15:28:45,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 15:28:45,351 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,351 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 15:28:45,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,353 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,353 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,353 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 15:28:45,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 15:28:45,353 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 15:28:45,367 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,367 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,367 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 15:28:45,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 15:28:45,367 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,367 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 15:28:45,368 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 15:28:45,368 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 15:28:45,368 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,368 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 15:28:45,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,369 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,369 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 15:28:45,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 15:28:45,369 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 15:28:45,383 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,383 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,383 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 15:28:45,383 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 15:28:45,384 - INFO - problem_instance short name: mo_n2
-2024-12-09 15:28:45,384 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,384 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 15:28:45,384 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,384 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,384 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,386 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,386 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,386 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 15:28:45,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 15:28:45,386 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 15:28:45,400 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,400 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,400 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 15:28:45,400 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,401 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,402 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,403 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,403 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 15:28:45,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 15:28:45,403 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 15:28:45,417 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,417 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,417 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 15:28:45,417 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,417 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,417 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,419 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,419 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,419 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 15:28:45,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 15:28:45,419 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 15:28:45,434 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,434 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,434 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 15:28:45,434 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,434 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,434 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,436 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,436 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,436 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 15:28:45,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 15:28:45,436 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 15:28:45,450 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,451 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,451 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 15:28:45,451 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 15:28:45,451 - INFO - problem_instance short name: li_h_0
-2024-12-09 15:28:45,451 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,451 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 15:28:45,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,453 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,453 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 15:28:45,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 15:28:45,453 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 15:28:45,467 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,467 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,467 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 15:28:45,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 15:28:45,468 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,468 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 15:28:45,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,469 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,469 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 15:28:45,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 15:28:45,469 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 15:28:45,483 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,484 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,484 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 15:28:45,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 15:28:45,484 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,484 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 15:28:45,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,485 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,485 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 15:28:45,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 15:28:45,485 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 15:28:45,499 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,500 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,500 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 15:28:45,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 15:28:45,500 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,500 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 15:28:45,500 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 15:28:45,500 - INFO - problem_instance short name: li2_0
-2024-12-09 15:28:45,500 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,500 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 15:28:45,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,501 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,501 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,502 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 15:28:45,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 15:28:45,502 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 15:28:45,515 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,516 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,516 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 15:28:45,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 15:28:45,516 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,516 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 15:28:45,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,517 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,517 - INFO - supporting data file UUID: 6224abe8-831e-4b52-b8d9-8ebac0a35c2b.
-2024-12-09 15:28:45,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz.
-2024-12-09 15:28:45,517 - INFO - assuming fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz is an FCIDUMP file.
-2024-12-09 15:28:45,531 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,532 - INFO - instance_data_object_uuid 6224abe8-831e-4b52-b8d9-8ebac0a35c2b is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,532 - INFO - supporting data file UUID: 2c2461b8-9343-4405-a3d5-aadd0a6cdac9.
-2024-12-09 15:28:45,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk.
-2024-12-09 15:28:45,532 - INFO - assuming li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,532 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 15:28:45,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,533 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,533 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,533 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 15:28:45,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 15:28:45,533 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 15:28:45,547 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,547 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,547 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 15:28:45,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 15:28:45,548 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,548 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 15:28:45,548 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 15:28:45,548 - INFO - problem_instance short name: h_f_0
-2024-12-09 15:28:45,548 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,548 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 15:28:45,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,550 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,550 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,550 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 15:28:45,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 15:28:45,550 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 15:28:45,564 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,564 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,565 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 15:28:45,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 15:28:45,565 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,565 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 15:28:45,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,566 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,566 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,566 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 15:28:45,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 15:28:45,566 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 15:28:45,581 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,581 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,581 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 15:28:45,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 15:28:45,581 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,581 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 15:28:45,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,582 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,583 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 15:28:45,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 15:28:45,583 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 15:28:45,596 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,597 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,597 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 15:28:45,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 15:28:45,597 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,597 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 15:28:45,597 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 15:28:45,597 - INFO - problem_instance short name: Fe_0
-2024-12-09 15:28:45,597 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,597 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 15:28:45,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,599 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,599 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,599 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 15:28:45,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 15:28:45,599 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 15:28:45,613 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,614 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,614 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 15:28:45,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 15:28:45,614 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,614 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 15:28:45,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,615 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,615 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,615 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 15:28:45,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 15:28:45,615 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 15:28:45,630 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,630 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,630 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 15:28:45,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 15:28:45,630 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,630 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 15:28:45,630 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 15:28:45,630 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 15:28:45,630 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,630 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 15:28:45,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,632 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,632 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,632 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 15:28:45,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 15:28:45,632 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 15:28:45,647 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,647 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,647 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 15:28:45,647 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 15:28:45,647 - INFO - problem_instance short name: ru_macho
-2024-12-09 15:28:45,647 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,647 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 15:28:45,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,650 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,650 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 15:28:45,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 15:28:45,650 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 15:28:45,664 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,665 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,665 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 15:28:45,665 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,665 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,665 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,667 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,667 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,667 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 15:28:45,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 15:28:45,667 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 15:28:45,682 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,682 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,682 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 15:28:45,683 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,683 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,684 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,685 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,685 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 15:28:45,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 15:28:45,685 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 15:28:45,699 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,699 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,699 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 15:28:45,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,702 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,702 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,702 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 15:28:45,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 15:28:45,702 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 15:28:45,717 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,717 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,717 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 15:28:45,717 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,717 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,717 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,719 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,719 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,719 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 15:28:45,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 15:28:45,719 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 15:28:45,733 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,733 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,734 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 15:28:45,734 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,734 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,734 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,736 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,736 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 15:28:45,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 15:28:45,736 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 15:28:45,751 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,751 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,751 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 15:28:45,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,753 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,753 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 15:28:45,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 15:28:45,753 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 15:28:45,768 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,768 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,768 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 15:28:45,768 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,768 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,768 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,770 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,770 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,770 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 15:28:45,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 15:28:45,770 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 15:28:45,784 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,784 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,785 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 15:28:45,785 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,785 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,785 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,787 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,787 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,787 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 15:28:45,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 15:28:45,787 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 15:28:45,801 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,801 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,802 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 15:28:45,802 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 15:28:45,802 - INFO - problem_instance short name: Cu_1
-2024-12-09 15:28:45,802 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,802 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 15:28:45,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,803 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,803 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,803 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 15:28:45,803 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 15:28:45,804 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 15:28:45,818 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,818 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,818 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 15:28:45,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 15:28:45,818 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,818 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 15:28:45,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,820 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,820 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,820 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 15:28:45,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 15:28:45,820 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 15:28:45,834 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,835 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,835 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 15:28:45,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 15:28:45,835 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,835 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 15:28:45,835 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 15:28:45,835 - INFO - problem_instance short name: n_h3_0
-2024-12-09 15:28:45,835 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,835 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 15:28:45,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,836 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,836 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 15:28:45,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 15:28:45,837 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 15:28:45,850 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,851 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,851 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 15:28:45,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 15:28:45,851 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,851 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 15:28:45,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,852 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,852 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,852 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 15:28:45,852 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 15:28:45,852 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 15:28:45,866 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,867 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,867 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 15:28:45,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 15:28:45,867 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,867 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 15:28:45,867 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 15:28:45,867 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 15:28:45,867 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,867 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 15:28:45,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,868 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,868 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 15:28:45,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 15:28:45,868 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 15:28:45,883 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,883 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,883 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 15:28:45,883 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 15:28:45,883 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 15:28:45,883 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,884 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 15:28:45,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,885 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,885 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,885 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 15:28:45,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 15:28:45,885 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 15:28:45,899 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,900 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,900 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 15:28:45,900 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 15:28:45,900 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,900 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 15:28:45,900 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 15:28:45,900 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 15:28:45,900 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,900 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 15:28:45,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,902 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,902 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,902 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 15:28:45,902 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 15:28:45,902 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 15:28:45,916 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,916 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,916 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 15:28:45,916 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 15:28:45,917 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,917 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 15:28:45,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,918 - INFO - number of orbitals:  116
-2024-12-09 15:28:45,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 15:28:45,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 15:28:45,918 - INFO - moving on ...
-2024-12-09 15:28:45,918 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 15:28:45,918 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 15:28:45,918 - INFO - problem_instance short name: O_1
-2024-12-09 15:28:45,918 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,918 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 15:28:45,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,920 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,920 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,920 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 15:28:45,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 15:28:45,920 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 15:28:45,934 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,934 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,934 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 15:28:45,935 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 15:28:45,935 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,935 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 15:28:45,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,936 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,936 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,936 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 15:28:45,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 15:28:45,936 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 15:28:45,950 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,951 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,951 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 15:28:45,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 15:28:45,951 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,951 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 15:28:45,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,952 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,952 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 15:28:45,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 15:28:45,953 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 15:28:45,967 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,967 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,967 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 15:28:45,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 15:28:45,967 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,967 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 15:28:45,968 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 15:28:45,968 - INFO - problem_instance short name: cr_dimer
-2024-12-09 15:28:45,968 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,968 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 15:28:45,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,970 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,970 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,970 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 15:28:45,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 15:28:45,970 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 15:28:45,984 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,985 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,985 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 15:28:45,985 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,987 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,987 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,987 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 15:28:45,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 15:28:45,987 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 15:28:46,000 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,001 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,001 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 15:28:46,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,003 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,003 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,003 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 15:28:46,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 15:28:46,003 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 15:28:46,017 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,017 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,017 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 15:28:46,017 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,017 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,017 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,019 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,019 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,019 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 15:28:46,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 15:28:46,019 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 15:28:46,033 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,034 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,034 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 15:28:46,034 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,034 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,034 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,036 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,036 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,036 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 15:28:46,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 15:28:46,036 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 15:28:46,049 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,050 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,050 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 15:28:46,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,052 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,052 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,052 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 15:28:46,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 15:28:46,052 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 15:28:46,066 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,066 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,066 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 15:28:46,067 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,067 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,067 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,069 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,069 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 15:28:46,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 15:28:46,069 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 15:28:46,083 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,083 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,083 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 15:28:46,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,085 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,085 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 15:28:46,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 15:28:46,086 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 15:28:46,100 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,100 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,101 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 15:28:46,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,103 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,103 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 15:28:46,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 15:28:46,103 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 15:28:46,117 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,118 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,118 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 15:28:46,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,120 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,120 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,120 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 15:28:46,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 15:28:46,120 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 15:28:46,136 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,136 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,136 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 15:28:46,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,139 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,139 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,139 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 15:28:46,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 15:28:46,139 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 15:28:46,154 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,155 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,155 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 15:28:46,155 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,155 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,155 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,157 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,157 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,157 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 15:28:46,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 15:28:46,157 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 15:28:46,172 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,173 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,173 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 15:28:46,173 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 15:28:46,173 - INFO - problem_instance short name: be_0
-2024-12-09 15:28:46,173 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:46,173 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 15:28:46,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,174 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,174 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,174 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 15:28:46,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 15:28:46,174 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 15:28:46,188 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,189 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,189 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 15:28:46,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 15:28:46,189 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:46,189 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 15:28:46,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,190 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,190 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 15:28:46,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 15:28:46,191 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 15:28:46,205 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,205 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,205 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 15:28:46,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 15:28:46,205 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:46,206 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 15:28:46,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,207 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,207 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 15:28:46,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 15:28:46,207 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 15:28:46,222 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,222 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,222 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 15:28:46,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 15:28:46,222 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:46,222 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 15:28:46,222 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 15:28:46,223 - INFO - problem_instance short name: f2_0
-2024-12-09 15:28:46,223 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:46,223 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 15:28:46,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,224 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,224 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,224 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 15:28:46,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 15:28:46,224 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 15:28:46,240 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,240 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,240 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 15:28:46,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 15:28:46,240 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:46,240 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 15:28:46,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,242 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,242 - INFO - supporting data file UUID: 29d645f8-ce30-4e18-9f41-644ac5f9d922.
-2024-12-09 15:28:46,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz.
-2024-12-09 15:28:46,242 - INFO - assuming fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz is an FCIDUMP file.
-2024-12-09 15:28:46,257 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,257 - INFO - did NOT find instance_data_object_uuid 29d645f8-ce30-4e18-9f41-644ac5f9d922 in database.
-2024-12-09 15:28:46,257 - INFO - Processing instance_data_object_uuid 29d645f8-ce30-4e18-9f41-644ac5f9d922 ...
-2024-12-09 15:28:46,257 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz...
-2024-12-09 15:28:46,303 - INFO - Connected (version 2.0, client 0)
-2024-12-09 15:28:46,813 - INFO - Authentication (publickey) successful!
-2024-12-09 15:28:46,829 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-09 15:30:58,490 - INFO - [chan 0] sftp session closed.
-2024-12-09 15:30:58,491 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-09 15:30:58,491 - INFO - decompressing file fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz...
-2024-12-09 15:31:04,298 - INFO - this script has been running for 5.03 hours.
-2024-12-09 15:31:04,298 - INFO - ===============================================
-2024-12-09 15:31:04,298 - INFO - calculating Hamiltonian features...
-2024-12-09 15:31:04,298 - INFO - reading data from fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922
-2024-12-09 15:31:45,875 - INFO - finished reading FCIDUMP data.
-2024-12-09 15:31:45,875 - INFO - data['NORB']: 110
-2024-12-09 15:31:45,875 - INFO - len(data['H1']): 110
-2024-12-09 15:31:45,875 - INFO - ao2mo.restore...
-2024-12-09 15:31:46,511 - INFO - done.
-2024-12-09 15:31:46,511 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-09 15:31:46,511 - INFO - done.
-2024-12-09 15:31:46,511 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-09 19:58:27,806 - INFO - done.
-2024-12-09 19:58:27,806 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-09 20:13:47,646 - INFO - done.
-2024-12-09 20:13:47,646 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-09 20:15:48,896 - INFO - done.
-2024-12-09 20:15:48,896 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-09 20:16:49,476 - INFO - done.
-2024-12-09 20:16:49,476 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-09 20:16:49,477 - INFO - done.
-2024-12-09 20:16:49,477 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-09 20:16:49,477 - INFO - done.
-2024-12-09 20:16:59,015 - INFO - Hamiltonian features calculation run time (seconds): 17154.716681
-2024-12-09 20:16:59,015 - INFO - wrote df_eigs to file: df_eigs.29d645f8-ce30-4e18-9f41-644ac5f9d922.bin
-2024-12-09 20:16:59,015 - INFO - deleting file fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.
-2024-12-09 20:16:59,115 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-09 20:16:59,118 - INFO - this script has been running for 9.80 hours.
-2024-12-09 20:16:59,118 - INFO - supporting data file UUID: 5c169867-7d8c-44d8-8b34-4ecc34cd9649.
-2024-12-09 20:16:59,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVQZ.5c169867-7d8c-44d8-8b34-4ecc34cd9649.chk.
-2024-12-09 20:16:59,118 - INFO - assuming f2_cc-pVQZ.5c169867-7d8c-44d8-8b34-4ecc34cd9649.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 20:16:59,118 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 20:16:59,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 20:16:59,119 - INFO - attempting to process the Hamiltonian...
-2024-12-09 20:16:59,119 - INFO - number of supporting files: 2
-2024-12-09 20:16:59,119 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 20:16:59,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 20:16:59,119 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 20:16:59,134 - INFO - number of entries in Hamiltonian_features.csv:  213
-2024-12-09 20:16:59,134 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 20:16:59,134 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 20:16:59,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 20:16:59,134 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 20:16:59,134 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 20:16:59,134 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 20:16:59,134 - INFO - problem_instance short name: n2_0
-2024-12-09 20:16:59,134 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 20:16:59,134 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 20:16:59,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 20:16:59,136 - INFO - attempting to process the Hamiltonian...
-2024-12-09 20:16:59,136 - INFO - number of supporting files: 2
-2024-12-09 20:16:59,136 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 20:16:59,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 20:16:59,136 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 20:16:59,149 - INFO - number of entries in Hamiltonian_features.csv:  213
-2024-12-09 20:16:59,150 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 20:16:59,150 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 20:16:59,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 20:16:59,150 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 20:16:59,150 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 20:16:59,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 20:16:59,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 20:16:59,151 - INFO - number of supporting files: 2
-2024-12-09 20:16:59,151 - INFO - supporting data file UUID: e84ef191-bfe0-4859-96b9-0613cad743d4.
-2024-12-09 20:16:59,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz.
-2024-12-09 20:16:59,151 - INFO - assuming fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz is an FCIDUMP file.
-2024-12-09 20:16:59,165 - INFO - number of entries in Hamiltonian_features.csv:  213
-2024-12-09 20:16:59,165 - INFO - did NOT find instance_data_object_uuid e84ef191-bfe0-4859-96b9-0613cad743d4 in database.
-2024-12-09 20:16:59,165 - INFO - Processing instance_data_object_uuid e84ef191-bfe0-4859-96b9-0613cad743d4 ...
-2024-12-09 20:16:59,165 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz...
-2024-12-09 20:16:59,210 - INFO - Connected (version 2.0, client 0)
-2024-12-09 20:16:59,709 - INFO - Authentication (publickey) successful!
-2024-12-09 20:16:59,731 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-09 20:18:48,259 - INFO - [chan 0] sftp session closed.
-2024-12-09 20:18:48,259 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-09 20:18:48,259 - INFO - decompressing file fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz...
-2024-12-09 20:18:54,208 - INFO - this script has been running for 9.83 hours.
-2024-12-09 20:18:54,208 - INFO - ===============================================
-2024-12-09 20:18:54,208 - INFO - calculating Hamiltonian features...
-2024-12-09 20:18:54,208 - INFO - reading data from fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4
-2024-12-09 20:19:34,591 - INFO - finished reading FCIDUMP data.
-2024-12-09 20:19:34,592 - INFO - data['NORB']: 110
-2024-12-09 20:19:34,592 - INFO - len(data['H1']): 110
-2024-12-09 20:19:34,592 - INFO - ao2mo.restore...
-2024-12-09 20:19:35,186 - INFO - done.
-2024-12-09 20:19:35,187 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-09 20:19:35,187 - INFO - done.
-2024-12-09 20:19:35,187 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-10 00:18:22,719 - INFO - done.
-2024-12-10 00:18:22,720 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-10 00:33:12,192 - INFO - done.
-2024-12-10 00:33:12,192 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-10 00:35:19,754 - INFO - done.
-2024-12-10 00:35:19,754 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-10 00:36:29,535 - INFO - done.
-2024-12-10 00:36:29,535 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-10 00:36:29,536 - INFO - done.
-2024-12-10 00:36:29,536 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-10 00:36:29,536 - INFO - done.
-2024-12-10 00:36:39,218 - INFO - Hamiltonian features calculation run time (seconds): 15465.010171
-2024-12-10 00:36:39,219 - INFO - wrote df_eigs to file: df_eigs.e84ef191-bfe0-4859-96b9-0613cad743d4.bin
-2024-12-10 00:36:39,219 - INFO - deleting file fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.
-2024-12-10 00:36:39,327 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-10 00:36:39,329 - INFO - this script has been running for 14.12 hours.
-2024-12-10 00:36:39,329 - INFO - supporting data file UUID: bb706eb0-f001-4938-8b70-b9f742942f45.
-2024-12-10 00:36:39,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVQZ.bb706eb0-f001-4938-8b70-b9f742942f45.chk.
-2024-12-10 00:36:39,330 - INFO - assuming n2_cc-pVQZ.bb706eb0-f001-4938-8b70-b9f742942f45.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,330 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-10 00:36:39,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,331 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,331 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,331 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-10 00:36:39,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-10 00:36:39,332 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-10 00:36:39,348 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,348 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,348 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-10 00:36:39,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-10 00:36:39,348 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,348 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-10 00:36:39,349 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-10 00:36:39,349 - INFO - problem_instance short name: fe_red
-2024-12-10 00:36:39,349 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,349 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-10 00:36:39,349 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,349 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,349 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,351 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,351 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,351 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-10 00:36:39,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-10 00:36:39,351 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-10 00:36:39,366 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,367 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,367 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-10 00:36:39,367 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,367 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,367 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,369 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,369 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,369 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-10 00:36:39,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-10 00:36:39,369 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-10 00:36:39,385 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,385 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,385 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-10 00:36:39,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,388 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,388 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,388 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-10 00:36:39,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-10 00:36:39,388 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-10 00:36:39,403 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,403 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,403 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-10 00:36:39,403 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,403 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,403 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,405 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,405 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,406 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-10 00:36:39,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-10 00:36:39,406 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-10 00:36:39,423 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,423 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,423 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-10 00:36:39,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,426 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,426 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,426 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-10 00:36:39,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-10 00:36:39,426 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-10 00:36:39,445 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,446 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,446 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-10 00:36:39,446 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,446 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,446 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,449 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,449 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,449 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-10 00:36:39,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-10 00:36:39,449 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-10 00:36:39,469 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,469 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,469 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-10 00:36:39,469 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,473 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,473 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,473 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-10 00:36:39,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-10 00:36:39,473 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-10 00:36:39,494 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,495 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,495 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-10 00:36:39,495 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,495 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,495 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,498 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,498 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,498 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-10 00:36:39,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-10 00:36:39,499 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-10 00:36:39,519 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,520 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,520 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-10 00:36:39,520 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,520 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,520 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,523 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,523 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,524 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-10 00:36:39,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-10 00:36:39,524 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-10 00:36:39,545 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,545 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,546 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-10 00:36:39,546 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-10 00:36:39,546 - INFO - problem_instance short name: Fe_1
-2024-12-10 00:36:39,546 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,546 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-10 00:36:39,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,549 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,549 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,549 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-10 00:36:39,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-10 00:36:39,549 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-10 00:36:39,570 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,570 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,571 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-10 00:36:39,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-10 00:36:39,571 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,571 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-10 00:36:39,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,573 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,573 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,573 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-10 00:36:39,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-10 00:36:39,573 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-10 00:36:39,594 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,594 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,594 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-10 00:36:39,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-10 00:36:39,595 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,595 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-10 00:36:39,595 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-10 00:36:39,595 - INFO - problem_instance short name: ScO_0
-2024-12-10 00:36:39,595 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,595 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-10 00:36:39,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,597 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,597 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,597 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-10 00:36:39,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-10 00:36:39,597 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-10 00:36:39,616 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,617 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,617 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-10 00:36:39,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-10 00:36:39,617 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,617 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-10 00:36:39,618 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-10 00:36:39,618 - INFO - problem_instance short name: planted_solution_0003
-2024-12-10 00:36:39,618 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,618 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-10 00:36:39,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,620 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,620 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,620 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-10 00:36:39,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-10 00:36:39,620 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-10 00:36:39,637 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,637 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,637 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-10 00:36:39,637 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-10 00:36:39,638 - INFO - problem_instance short name: h_c_n_0
-2024-12-10 00:36:39,638 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,638 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-10 00:36:39,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,639 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,639 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,639 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-10 00:36:39,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-10 00:36:39,639 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-10 00:36:39,654 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,654 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,654 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-10 00:36:39,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-10 00:36:39,655 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,655 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-10 00:36:39,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,656 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,656 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,656 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-10 00:36:39,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-10 00:36:39,656 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-10 00:36:39,671 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,672 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,672 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-10 00:36:39,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-10 00:36:39,672 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,672 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-10 00:36:39,672 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-10 00:36:39,672 - INFO - problem_instance short name: si_h4_0
-2024-12-10 00:36:39,673 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,673 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-10 00:36:39,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,675 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,675 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,675 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-10 00:36:39,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-10 00:36:39,675 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-10 00:36:39,691 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,692 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,692 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-10 00:36:39,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-10 00:36:39,692 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,692 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-10 00:36:39,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,694 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,694 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,694 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-10 00:36:39,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-10 00:36:39,694 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-10 00:36:39,710 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,710 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,711 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-10 00:36:39,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-10 00:36:39,711 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,711 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-10 00:36:39,711 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-10 00:36:39,711 - INFO - problem_instance short name: planted_solution_0009
-2024-12-10 00:36:39,711 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,711 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-10 00:36:39,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,713 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,713 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,713 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-10 00:36:39,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-10 00:36:39,713 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-10 00:36:39,730 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,731 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,731 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-10 00:36:39,731 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-10 00:36:39,731 - INFO - problem_instance short name: Mn_1
-2024-12-10 00:36:39,731 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,731 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-10 00:36:39,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,733 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,733 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,734 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-10 00:36:39,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-10 00:36:39,734 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-10 00:36:39,754 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,754 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,755 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-10 00:36:39,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-10 00:36:39,755 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,755 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-10 00:36:39,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,757 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,757 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,757 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-10 00:36:39,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-10 00:36:39,757 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-10 00:36:39,778 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,778 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,778 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-10 00:36:39,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-10 00:36:39,779 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,779 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-10 00:36:39,779 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-10 00:36:39,779 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-10 00:36:39,779 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,779 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-10 00:36:39,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,781 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,781 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,781 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-10 00:36:39,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-10 00:36:39,781 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-10 00:36:39,798 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,798 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,798 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-10 00:36:39,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-10 00:36:39,798 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,798 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-10 00:36:39,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,800 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,800 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,800 - INFO - supporting data file UUID: a53ae008-4ad2-4736-9a57-cfc011e3aace.
-2024-12-10 00:36:39,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz.
-2024-12-10 00:36:39,800 - INFO - assuming fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz is an FCIDUMP file.
-2024-12-10 00:36:39,815 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,816 - INFO - did NOT find instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace in database.
-2024-12-10 00:36:39,816 - INFO - Processing instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace ...
-2024-12-10 00:36:39,816 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
-2024-12-10 00:36:39,861 - INFO - Connected (version 2.0, client 0)
-2024-12-10 00:36:40,382 - INFO - Authentication (publickey) successful!
-2024-12-10 00:36:40,397 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-10 00:43:17,919 - INFO - [chan 0] sftp session closed.
-2024-12-10 00:43:17,920 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-10 00:43:17,920 - INFO - decompressing file fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
-2024-12-10 00:43:29,322 - INFO - this script has been running for 14.24 hours.
-2024-12-10 00:43:29,322 - INFO - ===============================================
-2024-12-10 00:43:29,322 - INFO - calculating Hamiltonian features...
-2024-12-10 00:43:29,322 - INFO - reading data from fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace
-2024-12-10 00:45:03,550 - INFO - finished reading FCIDUMP data.
-2024-12-10 00:45:03,550 - INFO - data['NORB']: 106
-2024-12-10 00:45:03,550 - INFO - len(data['H1']): 106
-2024-12-10 00:45:03,550 - INFO - ao2mo.restore...
-2024-12-10 00:45:04,172 - INFO - done.
-2024-12-10 00:45:04,172 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-10 00:45:04,172 - INFO - done.
-2024-12-10 00:45:04,172 - INFO - majorana_operator_from_quartic(quartic_fermion)...
+empty
diff --git a/scripts/ham_features_df_eigs/double_factorized_eigs.0c547725-1536-47b8-98f9-ed1384ceb939.bin b/scripts/ham_features_df_eigs/double_factorized_eigs.0c547725-1536-47b8-98f9-ed1384ceb939.bin
new file mode 100644
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diff --git a/scripts/ham_features_df_eigs/double_factorized_eigs.26e93a92-0fb0-43bf-9c8d-6b97eb974d27.bin b/scripts/ham_features_df_eigs/double_factorized_eigs.26e93a92-0fb0-43bf-9c8d-6b97eb974d27.bin
new file mode 100644
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new file mode 100644
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diff --git a/scripts/ham_features_df_eigs/double_factorized_eigs.4bd40563-25e1-4334-bf15-3ccd36c05ab2.bin b/scripts/ham_features_df_eigs/double_factorized_eigs.4bd40563-25e1-4334-bf15-3ccd36c05ab2.bin
new file mode 100644
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diff --git a/scripts/ham_features_df_eigs/double_factorized_eigs.4d93ba0f-4ad6-4107-b495-9284d226e13d.bin b/scripts/ham_features_df_eigs/double_factorized_eigs.4d93ba0f-4ad6-4107-b495-9284d226e13d.bin
new file mode 100644
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new file mode 100644
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diff --git a/scripts/ham_features_df_eigs/double_factorized_eigs.5b274001-6cd6-436f-995f-d460d33688da.bin b/scripts/ham_features_df_eigs/double_factorized_eigs.5b274001-6cd6-436f-995f-d460d33688da.bin
new file mode 100644
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new file mode 100644
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diff --git a/scripts/ham_features_df_eigs/double_factorized_eigs.677d97ee-5a46-4d49-82d6-ca3fc98a59a7.bin b/scripts/ham_features_df_eigs/double_factorized_eigs.677d97ee-5a46-4d49-82d6-ca3fc98a59a7.bin
new file mode 100644
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diff --git a/scripts/ham_features_df_eigs/double_factorized_eigs.7b8c2dbd-8966-4eb4-83af-8acb07454e8a.bin b/scripts/ham_features_df_eigs/double_factorized_eigs.7b8c2dbd-8966-4eb4-83af-8acb07454e8a.bin
new file mode 100644
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diff --git a/scripts/ham_features_df_eigs/double_factorized_eigs.7db2ffef-bfc4-4df3-b6a6-c3929e0bb978.bin b/scripts/ham_features_df_eigs/double_factorized_eigs.7db2ffef-bfc4-4df3-b6a6-c3929e0bb978.bin
new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/scripts/nohup.out b/scripts/nohup.out
deleted file mode 100644
index 52b26eb..0000000
--- a/scripts/nohup.out
+++ /dev/null
@@ -1,57154 +0,0 @@
-2024-12-09 10:29:15,195 - INFO - ===============================================
-2024-12-09 10:29:15,198 - INFO - overall start time: 2024-12-09 10:29:15.195283
-2024-12-09 10:29:15,198 - INFO - input directory: ../problem_instances/
-2024-12-09 10:29:15,198 - INFO - Hamiltonian features file: Hamiltonian_features.csv
-2024-12-09 10:29:15,198 - INFO - creating back up file Hamiltonian_features.csv.backup-2024-12-09-10-29.csv.
-2024-12-09 10:29:15,229 - INFO - parsing 82 files in the input directory
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:15,229 - INFO - file: problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:15,230 - INFO - file: problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:15,231 - INFO - file: problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:15,245 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:15,246 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:15,246 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:15,246 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,246 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:15,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,253 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,253 - INFO - moving on ...
-2024-12-09 10:29:15,253 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:15,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,254 - INFO - number of orbitals:  118
-2024-12-09 10:29:15,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,254 - INFO - moving on ...
-2024-12-09 10:29:15,254 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:15,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,256 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,256 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,256 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,256 - INFO - moving on ...
-2024-12-09 10:29:15,256 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:15,257 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:15,257 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:15,257 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,257 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:15,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,258 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,258 - INFO - moving on ...
-2024-12-09 10:29:15,258 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:15,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,260 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,260 - INFO - moving on ...
-2024-12-09 10:29:15,260 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:15,261 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:15,261 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:15,261 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,261 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:15,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,262 - INFO - number of orbitals:  66
-2024-12-09 10:29:15,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,262 - INFO - moving on ...
-2024-12-09 10:29:15,262 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:15,264 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:15,264 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:15,264 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,264 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:15,264 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,264 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,264 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,271 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,271 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,271 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,271 - INFO - moving on ...
-2024-12-09 10:29:15,271 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:15,271 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,271 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,274 - INFO - number of orbitals:  22
-2024-12-09 10:29:15,274 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,274 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,274 - INFO - moving on ...
-2024-12-09 10:29:15,274 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:15,274 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,274 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,274 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,277 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,277 - INFO - moving on ...
-2024-12-09 10:29:15,277 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:15,277 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,277 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,277 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,279 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,279 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,279 - INFO - moving on ...
-2024-12-09 10:29:15,279 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:15,279 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,280 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,280 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,281 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,281 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,281 - INFO - moving on ...
-2024-12-09 10:29:15,281 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:15,282 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,282 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,282 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,283 - INFO - number of orbitals:  22
-2024-12-09 10:29:15,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,283 - INFO - moving on ...
-2024-12-09 10:29:15,283 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:15,283 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,284 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,285 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,285 - INFO - moving on ...
-2024-12-09 10:29:15,285 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:15,285 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,285 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,285 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,287 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,287 - INFO - moving on ...
-2024-12-09 10:29:15,287 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:15,287 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,287 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,287 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,289 - INFO - number of orbitals:  19
-2024-12-09 10:29:15,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,289 - INFO - moving on ...
-2024-12-09 10:29:15,289 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:15,289 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,289 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,289 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,291 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,291 - INFO - moving on ...
-2024-12-09 10:29:15,291 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:15,291 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,291 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,291 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,293 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,293 - INFO - moving on ...
-2024-12-09 10:29:15,293 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:15,293 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,293 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,293 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,295 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,295 - INFO - moving on ...
-2024-12-09 10:29:15,295 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:15,296 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:15,296 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:15,296 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,296 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:15,296 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,297 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,297 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,298 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,298 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,298 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,298 - INFO - moving on ...
-2024-12-09 10:29:15,298 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:15,298 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,299 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,299 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,300 - INFO - number of orbitals:  108
-2024-12-09 10:29:15,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,300 - INFO - moving on ...
-2024-12-09 10:29:15,300 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:15,301 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:15,301 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:15,301 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,301 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:15,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,303 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,303 - INFO - moving on ...
-2024-12-09 10:29:15,303 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:15,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,304 - INFO - number of orbitals:  135
-2024-12-09 10:29:15,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,304 - INFO - moving on ...
-2024-12-09 10:29:15,305 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:15,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,306 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,306 - INFO - moving on ...
-2024-12-09 10:29:15,306 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:15,307 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:15,307 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:15,307 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,307 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:15,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,309 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,309 - INFO - moving on ...
-2024-12-09 10:29:15,309 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:15,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,310 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,310 - INFO - moving on ...
-2024-12-09 10:29:15,310 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:15,312 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:15,312 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:15,312 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,312 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:15,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,313 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,313 - INFO - moving on ...
-2024-12-09 10:29:15,313 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:15,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,314 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,314 - INFO - moving on ...
-2024-12-09 10:29:15,314 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:15,315 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:15,315 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:15,316 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,316 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:15,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,317 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,317 - INFO - moving on ...
-2024-12-09 10:29:15,317 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:15,318 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:15,318 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:15,318 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,318 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:15,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,319 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,319 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,319 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,319 - INFO - moving on ...
-2024-12-09 10:29:15,319 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:15,320 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:15,320 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:15,321 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,321 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:15,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,322 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,322 - INFO - moving on ...
-2024-12-09 10:29:15,322 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:15,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,323 - INFO - number of orbitals:  118
-2024-12-09 10:29:15,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,323 - INFO - moving on ...
-2024-12-09 10:29:15,323 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:15,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,324 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,325 - INFO - moving on ...
-2024-12-09 10:29:15,325 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:15,327 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:15,327 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:15,327 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,327 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:15,327 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,327 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,327 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,328 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,329 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,329 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:15,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:15,329 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:15,350 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,350 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,350 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:15,350 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,351 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,351 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,353 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,353 - INFO - moving on ...
-2024-12-09 10:29:15,353 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:15,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,355 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,355 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,355 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:15,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:15,355 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:15,371 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,371 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,371 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:15,371 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,371 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,371 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,373 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,373 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,373 - INFO - moving on ...
-2024-12-09 10:29:15,373 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:15,373 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,375 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,375 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,375 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:15,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:15,375 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:15,391 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,391 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,391 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:15,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,393 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,393 - INFO - moving on ...
-2024-12-09 10:29:15,393 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:15,393 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,393 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,393 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,395 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,395 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,395 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:15,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:15,395 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:15,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,410 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,410 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:15,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,412 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,412 - INFO - moving on ...
-2024-12-09 10:29:15,412 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:15,414 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:15,414 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:15,414 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,414 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:15,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,415 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,415 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,415 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,415 - INFO - moving on ...
-2024-12-09 10:29:15,415 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:15,416 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:15,416 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:15,416 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,416 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:15,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,417 - INFO - number of orbitals:  33
-2024-12-09 10:29:15,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,418 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,418 - INFO - moving on ...
-2024-12-09 10:29:15,418 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:15,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,419 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,419 - INFO - moving on ...
-2024-12-09 10:29:15,419 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:15,420 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:15,420 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:15,420 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,420 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:15,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,421 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,421 - INFO - moving on ...
-2024-12-09 10:29:15,421 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:15,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,423 - INFO - number of orbitals:  119
-2024-12-09 10:29:15,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,423 - INFO - moving on ...
-2024-12-09 10:29:15,423 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:15,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,424 - INFO - number of orbitals:  62
-2024-12-09 10:29:15,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,424 - INFO - moving on ...
-2024-12-09 10:29:15,424 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:15,425 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:15,425 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:15,425 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,425 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:15,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,426 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,426 - INFO - moving on ...
-2024-12-09 10:29:15,427 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:15,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,428 - INFO - number of orbitals:  135
-2024-12-09 10:29:15,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,428 - INFO - moving on ...
-2024-12-09 10:29:15,428 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:15,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,429 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,429 - INFO - moving on ...
-2024-12-09 10:29:15,429 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:15,430 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:15,430 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:15,430 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,430 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:15,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,431 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,432 - INFO - moving on ...
-2024-12-09 10:29:15,432 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:15,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,433 - INFO - number of orbitals:  118
-2024-12-09 10:29:15,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,433 - INFO - moving on ...
-2024-12-09 10:29:15,433 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:15,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,434 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,434 - INFO - moving on ...
-2024-12-09 10:29:15,434 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:15,436 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:15,436 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:15,436 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,436 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:15,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,437 - INFO - number of orbitals:  38
-2024-12-09 10:29:15,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,437 - INFO - moving on ...
-2024-12-09 10:29:15,437 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:15,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,438 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,438 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,438 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,438 - INFO - moving on ...
-2024-12-09 10:29:15,438 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:15,440 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:15,440 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:15,440 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,440 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:15,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,441 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,441 - INFO - moving on ...
-2024-12-09 10:29:15,441 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:15,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,442 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,442 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,442 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,442 - INFO - moving on ...
-2024-12-09 10:29:15,442 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:15,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,443 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,444 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,444 - INFO - moving on ...
-2024-12-09 10:29:15,444 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:15,445 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:15,445 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:15,445 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,445 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:15,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,446 - INFO - number of orbitals:  38
-2024-12-09 10:29:15,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,446 - INFO - moving on ...
-2024-12-09 10:29:15,446 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:15,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,447 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,447 - INFO - moving on ...
-2024-12-09 10:29:15,447 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:15,449 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:15,449 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:15,449 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,449 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:15,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,450 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,450 - INFO - moving on ...
-2024-12-09 10:29:15,450 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:15,452 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:15,452 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:15,452 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,452 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:15,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,453 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,453 - INFO - moving on ...
-2024-12-09 10:29:15,453 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:15,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,454 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,454 - INFO - moving on ...
-2024-12-09 10:29:15,454 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:15,455 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:15,455 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:15,455 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,455 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:15,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,457 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,457 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,457 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:15,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:15,457 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:15,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,473 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,473 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:15,475 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:15,475 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:15,475 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,475 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:15,475 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,475 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,475 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,477 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,477 - INFO - moving on ...
-2024-12-09 10:29:15,477 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:15,477 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,478 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,478 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,480 - INFO - number of orbitals:  46
-2024-12-09 10:29:15,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,480 - INFO - moving on ...
-2024-12-09 10:29:15,480 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:15,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,482 - INFO - number of orbitals:  46
-2024-12-09 10:29:15,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,482 - INFO - moving on ...
-2024-12-09 10:29:15,482 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:15,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,484 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,484 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,484 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,484 - INFO - moving on ...
-2024-12-09 10:29:15,484 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:15,486 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:15,486 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:15,486 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,486 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:15,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,488 - INFO - number of orbitals:  19
-2024-12-09 10:29:15,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,488 - INFO - moving on ...
-2024-12-09 10:29:15,488 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:15,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,489 - INFO - number of orbitals:  85
-2024-12-09 10:29:15,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,489 - INFO - moving on ...
-2024-12-09 10:29:15,489 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:15,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,491 - INFO - number of orbitals:  44
-2024-12-09 10:29:15,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,491 - INFO - moving on ...
-2024-12-09 10:29:15,491 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:15,492 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:15,492 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:15,492 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,492 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:15,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,494 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,494 - INFO - moving on ...
-2024-12-09 10:29:15,494 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:15,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,495 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,495 - INFO - moving on ...
-2024-12-09 10:29:15,495 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:15,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,496 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,497 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,497 - INFO - moving on ...
-2024-12-09 10:29:15,497 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:15,498 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:15,498 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:15,498 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,498 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:15,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,499 - INFO - number of orbitals:  19
-2024-12-09 10:29:15,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,499 - INFO - moving on ...
-2024-12-09 10:29:15,499 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:15,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,501 - INFO - number of orbitals:  85
-2024-12-09 10:29:15,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,501 - INFO - moving on ...
-2024-12-09 10:29:15,501 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:15,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,502 - INFO - number of orbitals:  44
-2024-12-09 10:29:15,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,502 - INFO - moving on ...
-2024-12-09 10:29:15,502 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:15,503 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:15,503 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:15,503 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,503 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:15,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,505 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,505 - INFO - moving on ...
-2024-12-09 10:29:15,505 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:15,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,506 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,507 - INFO - moving on ...
-2024-12-09 10:29:15,507 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:15,508 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:15,508 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:15,508 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,508 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:15,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,509 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,509 - INFO - moving on ...
-2024-12-09 10:29:15,509 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:15,511 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:15,511 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:15,511 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,511 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:15,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,513 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,513 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,513 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:15,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:15,513 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:15,528 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,528 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,528 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:15,528 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,528 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,529 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,530 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,530 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,530 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:15,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:15,531 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:15,544 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,545 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,545 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:15,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,547 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,547 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,547 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:15,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:15,547 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:15,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,563 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,563 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:15,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,563 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,563 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,565 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,565 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:15,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:15,565 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:15,581 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,582 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,582 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:15,582 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,582 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,582 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,584 - INFO - number of orbitals:  33
-2024-12-09 10:29:15,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,584 - INFO - moving on ...
-2024-12-09 10:29:15,584 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:15,584 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,584 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,584 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,586 - INFO - number of orbitals:  23
-2024-12-09 10:29:15,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,586 - INFO - moving on ...
-2024-12-09 10:29:15,586 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:15,586 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,586 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,586 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,588 - INFO - number of orbitals:  45
-2024-12-09 10:29:15,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,588 - INFO - moving on ...
-2024-12-09 10:29:15,588 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:15,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,588 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,588 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,590 - INFO - number of orbitals:  21
-2024-12-09 10:29:15,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,590 - INFO - moving on ...
-2024-12-09 10:29:15,590 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:15,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,592 - INFO - number of orbitals:  42
-2024-12-09 10:29:15,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,592 - INFO - moving on ...
-2024-12-09 10:29:15,592 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:15,593 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:15,593 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:15,593 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,594 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:15,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,595 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,595 - INFO - moving on ...
-2024-12-09 10:29:15,595 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:15,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,596 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,597 - INFO - moving on ...
-2024-12-09 10:29:15,597 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:15,598 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:15,598 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:15,598 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,598 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:15,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,599 - INFO - number of orbitals:  29
-2024-12-09 10:29:15,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,599 - INFO - moving on ...
-2024-12-09 10:29:15,599 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:15,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,600 - INFO - number of orbitals:  72
-2024-12-09 10:29:15,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,600 - INFO - moving on ...
-2024-12-09 10:29:15,600 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:15,601 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:15,601 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:15,601 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,602 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:15,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,603 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,603 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,603 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:15,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:15,603 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:15,620 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,621 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,621 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:15,622 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:15,622 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:15,622 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,622 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:15,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,623 - INFO - number of orbitals:  48
-2024-12-09 10:29:15,623 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,623 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,624 - INFO - moving on ...
-2024-12-09 10:29:15,624 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:15,624 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:15,624 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:15,624 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,624 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:15,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,626 - INFO - number of orbitals:  48
-2024-12-09 10:29:15,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,626 - INFO - moving on ...
-2024-12-09 10:29:15,626 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:15,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,627 - INFO - number of orbitals:  116
-2024-12-09 10:29:15,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,627 - INFO - moving on ...
-2024-12-09 10:29:15,627 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:15,628 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:15,628 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:15,628 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,628 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:15,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,630 - INFO - number of orbitals:  22
-2024-12-09 10:29:15,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,630 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,630 - INFO - moving on ...
-2024-12-09 10:29:15,630 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:15,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,631 - INFO - number of orbitals:  79
-2024-12-09 10:29:15,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,631 - INFO - moving on ...
-2024-12-09 10:29:15,631 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:15,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,633 - INFO - number of orbitals:  45
-2024-12-09 10:29:15,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,633 - INFO - moving on ...
-2024-12-09 10:29:15,633 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:15,634 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:15,634 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:15,634 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,634 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:15,634 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,634 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,634 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,636 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,636 - INFO - moving on ...
-2024-12-09 10:29:15,636 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:15,636 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,636 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,636 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,638 - INFO - number of orbitals:  26
-2024-12-09 10:29:15,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,638 - INFO - moving on ...
-2024-12-09 10:29:15,638 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:15,638 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,638 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,638 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,640 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,640 - INFO - moving on ...
-2024-12-09 10:29:15,640 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:15,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,641 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,642 - INFO - moving on ...
-2024-12-09 10:29:15,642 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:15,642 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,642 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,642 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,643 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,644 - INFO - moving on ...
-2024-12-09 10:29:15,644 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:15,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,644 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,645 - INFO - number of orbitals:  26
-2024-12-09 10:29:15,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,645 - INFO - moving on ...
-2024-12-09 10:29:15,646 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:15,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,646 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,647 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,647 - INFO - moving on ...
-2024-12-09 10:29:15,647 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:15,647 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,647 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,649 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,649 - INFO - moving on ...
-2024-12-09 10:29:15,649 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:15,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,649 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,649 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,651 - INFO - number of orbitals:  18
-2024-12-09 10:29:15,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,651 - INFO - moving on ...
-2024-12-09 10:29:15,651 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:15,651 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,651 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,651 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,653 - INFO - number of orbitals:  26
-2024-12-09 10:29:15,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,653 - INFO - moving on ...
-2024-12-09 10:29:15,653 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:15,653 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,653 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,653 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,655 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,655 - INFO - moving on ...
-2024-12-09 10:29:15,655 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:15,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,657 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,657 - INFO - moving on ...
-2024-12-09 10:29:15,657 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:15,658 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:15,658 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:15,658 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,658 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:15,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,659 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,659 - INFO - number of supporting files: 2
-2024-12-09 10:29:15,659 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:15,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:15,659 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:15,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,676 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,676 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:15,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:15,676 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:15,676 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:15,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,677 - INFO - number of orbitals:  55
-2024-12-09 10:29:15,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,677 - INFO - moving on ...
-2024-12-09 10:29:15,677 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:15,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,679 - INFO - number of orbitals:  30
-2024-12-09 10:29:15,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,679 - INFO - moving on ...
-2024-12-09 10:29:15,679 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:15,680 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:15,680 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:15,681 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,681 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:15,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,682 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,682 - INFO - moving on ...
-2024-12-09 10:29:15,682 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:15,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,683 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,683 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,683 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,683 - INFO - moving on ...
-2024-12-09 10:29:15,683 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:15,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,685 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,685 - INFO - moving on ...
-2024-12-09 10:29:15,685 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:15,686 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:15,686 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:15,686 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,686 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:15,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,687 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,687 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,687 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,687 - INFO - moving on ...
-2024-12-09 10:29:15,687 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:15,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,689 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,689 - INFO - moving on ...
-2024-12-09 10:29:15,689 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:15,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,690 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,690 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,690 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,690 - INFO - moving on ...
-2024-12-09 10:29:15,690 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:15,692 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:15,692 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:15,692 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,692 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:15,692 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,692 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,692 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,693 - INFO - number of orbitals:  45
-2024-12-09 10:29:15,694 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,694 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,694 - INFO - moving on ...
-2024-12-09 10:29:15,694 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:15,694 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,694 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,694 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,696 - INFO - number of orbitals:  53
-2024-12-09 10:29:15,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,696 - INFO - moving on ...
-2024-12-09 10:29:15,696 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:15,696 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,696 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,696 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,698 - INFO - number of orbitals:  58
-2024-12-09 10:29:15,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,698 - INFO - moving on ...
-2024-12-09 10:29:15,698 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:15,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,699 - INFO - number of orbitals:  44
-2024-12-09 10:29:15,700 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,700 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,700 - INFO - moving on ...
-2024-12-09 10:29:15,700 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:15,700 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,701 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,701 - INFO - moving on ...
-2024-12-09 10:29:15,702 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:15,702 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,703 - INFO - number of orbitals:  55
-2024-12-09 10:29:15,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,703 - INFO - moving on ...
-2024-12-09 10:29:15,703 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:15,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,704 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,704 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,705 - INFO - number of orbitals:  44
-2024-12-09 10:29:15,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,705 - INFO - moving on ...
-2024-12-09 10:29:15,705 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:15,706 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,706 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,706 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,707 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,707 - INFO - moving on ...
-2024-12-09 10:29:15,707 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:15,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,709 - INFO - number of orbitals:  55
-2024-12-09 10:29:15,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,709 - INFO - moving on ...
-2024-12-09 10:29:15,710 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:15,711 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:15,711 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:15,711 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,711 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:15,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,713 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,713 - INFO - moving on ...
-2024-12-09 10:29:15,713 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:15,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,715 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,715 - INFO - moving on ...
-2024-12-09 10:29:15,715 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:15,716 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:15,716 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:15,716 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,716 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:15,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,718 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,718 - INFO - moving on ...
-2024-12-09 10:29:15,718 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:15,718 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:15,719 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:15,719 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,719 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:15,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,720 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,720 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,720 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,720 - INFO - moving on ...
-2024-12-09 10:29:15,720 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:15,721 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:15,721 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:15,721 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,721 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:15,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,722 - INFO - number of orbitals:  33
-2024-12-09 10:29:15,722 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,722 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,722 - INFO - moving on ...
-2024-12-09 10:29:15,722 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:15,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,724 - INFO - number of orbitals:  74
-2024-12-09 10:29:15,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,724 - INFO - moving on ...
-2024-12-09 10:29:15,724 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:15,725 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:15,725 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:15,725 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,725 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:15,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,726 - INFO - number of orbitals:  38
-2024-12-09 10:29:15,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,726 - INFO - moving on ...
-2024-12-09 10:29:15,726 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:15,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,727 - INFO - number of orbitals:  90
-2024-12-09 10:29:15,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,727 - INFO - moving on ...
-2024-12-09 10:29:15,727 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:15,728 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:15,728 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:15,728 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,728 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:15,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,730 - INFO - number of orbitals:  69
-2024-12-09 10:29:15,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,730 - INFO - moving on ...
-2024-12-09 10:29:15,730 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:15,731 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:15,731 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:15,731 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,731 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:15,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,732 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,732 - INFO - moving on ...
-2024-12-09 10:29:15,732 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:15,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,733 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,734 - INFO - moving on ...
-2024-12-09 10:29:15,734 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:15,734 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:15,735 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:15,735 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,735 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:15,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,736 - INFO - number of orbitals:  47
-2024-12-09 10:29:15,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,736 - INFO - moving on ...
-2024-12-09 10:29:15,736 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:15,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,737 - INFO - number of orbitals:  106
-2024-12-09 10:29:15,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,737 - INFO - moving on ...
-2024-12-09 10:29:15,738 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:15,738 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:15,738 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:15,738 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,738 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:15,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,740 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,740 - INFO - moving on ...
-2024-12-09 10:29:15,740 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:15,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,741 - INFO - number of orbitals:  118
-2024-12-09 10:29:15,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,741 - INFO - moving on ...
-2024-12-09 10:29:15,741 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:15,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,742 - INFO - number of orbitals:  68
-2024-12-09 10:29:15,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,743 - INFO - moving on ...
-2024-12-09 10:29:15,743 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:15,745 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:15,745 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:15,745 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,745 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:15,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,746 - INFO - number of orbitals:  32
-2024-12-09 10:29:15,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,746 - INFO - moving on ...
-2024-12-09 10:29:15,746 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:15,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,748 - INFO - number of orbitals:  114
-2024-12-09 10:29:15,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,748 - INFO - moving on ...
-2024-12-09 10:29:15,748 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:15,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,749 - INFO - number of orbitals:  64
-2024-12-09 10:29:15,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,749 - INFO - moving on ...
-2024-12-09 10:29:15,749 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:15,750 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:15,750 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:15,750 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,750 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:15,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,751 - INFO - number of orbitals:  24
-2024-12-09 10:29:15,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,751 - INFO - moving on ...
-2024-12-09 10:29:15,751 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:15,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,753 - INFO - number of orbitals:  115
-2024-12-09 10:29:15,753 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,753 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,753 - INFO - moving on ...
-2024-12-09 10:29:15,753 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:15,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,754 - INFO - number of orbitals:  58
-2024-12-09 10:29:15,754 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,754 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,754 - INFO - moving on ...
-2024-12-09 10:29:15,754 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:15,756 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:15,756 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:15,756 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,756 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:15,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,757 - INFO - number of orbitals:  37
-2024-12-09 10:29:15,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,757 - INFO - moving on ...
-2024-12-09 10:29:15,757 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:15,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,758 - INFO - number of orbitals:  78
-2024-12-09 10:29:15,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,759 - INFO - moving on ...
-2024-12-09 10:29:15,759 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:15,760 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:15,760 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:15,760 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,760 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:15,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,761 - INFO - number of orbitals:  58
-2024-12-09 10:29:15,761 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,761 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,761 - INFO - moving on ...
-2024-12-09 10:29:15,761 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:15,762 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:15,762 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:15,762 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,762 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:15,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,763 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,763 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,763 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:15,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:15,763 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:15,780 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,780 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,780 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:15,781 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:15,782 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:15,782 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,782 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:15,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,783 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,783 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,783 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,783 - INFO - moving on ...
-2024-12-09 10:29:15,783 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:15,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,785 - INFO - number of orbitals:  86
-2024-12-09 10:29:15,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,785 - INFO - moving on ...
-2024-12-09 10:29:15,785 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:15,786 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:15,786 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:15,786 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,786 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:15,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,788 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,788 - INFO - moving on ...
-2024-12-09 10:29:15,788 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:15,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,789 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,790 - INFO - moving on ...
-2024-12-09 10:29:15,790 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:15,790 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:15,790 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:15,791 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,791 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:15,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,792 - INFO - number of orbitals:  31
-2024-12-09 10:29:15,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,792 - INFO - moving on ...
-2024-12-09 10:29:15,792 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:15,793 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:15,793 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:15,793 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,793 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:15,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,794 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,795 - INFO - moving on ...
-2024-12-09 10:29:15,795 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:15,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,796 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,796 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,796 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,796 - INFO - moving on ...
-2024-12-09 10:29:15,796 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:15,797 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:15,797 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:15,797 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,797 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:15,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,798 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,798 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,798 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,798 - INFO - moving on ...
-2024-12-09 10:29:15,798 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:15,799 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:15,799 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:15,799 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,799 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:15,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,801 - INFO - number of orbitals:  69
-2024-12-09 10:29:15,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,801 - INFO - moving on ...
-2024-12-09 10:29:15,801 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:15,802 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:15,802 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:15,802 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,802 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:15,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,803 - INFO - number of orbitals:  48
-2024-12-09 10:29:15,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,804 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,804 - INFO - moving on ...
-2024-12-09 10:29:15,804 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:15,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,805 - INFO - number of orbitals:  116
-2024-12-09 10:29:15,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,805 - INFO - moving on ...
-2024-12-09 10:29:15,805 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:15,806 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:15,806 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:15,806 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,806 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:15,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,807 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,807 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,807 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,807 - INFO - moving on ...
-2024-12-09 10:29:15,807 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:15,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,809 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,809 - INFO - moving on ...
-2024-12-09 10:29:15,809 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:15,810 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:15,810 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:15,810 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,810 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:15,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,811 - INFO - number of orbitals:  38
-2024-12-09 10:29:15,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,811 - INFO - moving on ...
-2024-12-09 10:29:15,811 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:15,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,812 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,812 - INFO - moving on ...
-2024-12-09 10:29:15,812 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:15,813 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:15,814 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:15,814 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,814 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:15,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,815 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,815 - INFO - moving on ...
-2024-12-09 10:29:15,815 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:15,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,816 - INFO - number of orbitals:  110
-2024-12-09 10:29:15,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,816 - INFO - moving on ...
-2024-12-09 10:29:15,816 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:15,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,818 - INFO - number of orbitals:  60
-2024-12-09 10:29:15,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,818 - INFO - moving on ...
-2024-12-09 10:29:15,818 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:15,819 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:15,819 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:15,819 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,819 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:15,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,820 - INFO - number of orbitals:  54
-2024-12-09 10:29:15,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,820 - INFO - moving on ...
-2024-12-09 10:29:15,820 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:15,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,822 - INFO - number of orbitals:  135
-2024-12-09 10:29:15,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,822 - INFO - moving on ...
-2024-12-09 10:29:15,822 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:15,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,823 - INFO - number of orbitals:  88
-2024-12-09 10:29:15,823 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,823 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,823 - INFO - moving on ...
-2024-12-09 10:29:15,823 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:15,824 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:15,824 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:15,824 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,824 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:15,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,826 - INFO - number of orbitals:  28
-2024-12-09 10:29:15,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,826 - INFO - moving on ...
-2024-12-09 10:29:15,826 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:15,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,827 - INFO - number of orbitals:  119
-2024-12-09 10:29:15,827 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,827 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,827 - INFO - moving on ...
-2024-12-09 10:29:15,827 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:15,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,829 - INFO - number of orbitals:  62
-2024-12-09 10:29:15,829 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,829 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,829 - INFO - moving on ...
-2024-12-09 10:29:15,829 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:15,830 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:15,830 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:15,830 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,830 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:15,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,832 - INFO - number of orbitals:  32
-2024-12-09 10:29:15,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,832 - INFO - moving on ...
-2024-12-09 10:29:15,832 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:15,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,833 - INFO - number of orbitals:  64
-2024-12-09 10:29:15,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,833 - INFO - moving on ...
-2024-12-09 10:29:15,833 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:15,834 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:15,834 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:15,834 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,835 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:15,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,836 - INFO - number of orbitals:  52
-2024-12-09 10:29:15,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,836 - INFO - moving on ...
-2024-12-09 10:29:15,836 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:15,837 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:15,837 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:15,837 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,837 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:15,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,839 - INFO - number of orbitals:  23
-2024-12-09 10:29:15,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,839 - INFO - moving on ...
-2024-12-09 10:29:15,839 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:15,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,840 - INFO - number of orbitals:  89
-2024-12-09 10:29:15,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,840 - INFO - moving on ...
-2024-12-09 10:29:15,840 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:15,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,842 - INFO - number of orbitals:  48
-2024-12-09 10:29:15,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,842 - INFO - moving on ...
-2024-12-09 10:29:15,842 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:15,843 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:15,843 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:15,843 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,843 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:15,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,844 - INFO - number of orbitals:  46
-2024-12-09 10:29:15,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,845 - INFO - moving on ...
-2024-12-09 10:29:15,845 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:15,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,846 - INFO - number of orbitals:  94
-2024-12-09 10:29:15,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,846 - INFO - moving on ...
-2024-12-09 10:29:15,846 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:15,847 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:15,847 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:15,847 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,847 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:15,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,848 - INFO - number of orbitals:  70
-2024-12-09 10:29:15,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,848 - INFO - moving on ...
-2024-12-09 10:29:15,848 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:15,849 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:15,849 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:15,849 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,850 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:15,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,851 - INFO - number of orbitals:  22
-2024-12-09 10:29:15,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,851 - INFO - moving on ...
-2024-12-09 10:29:15,851 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:15,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,852 - INFO - number of orbitals:  79
-2024-12-09 10:29:15,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,852 - INFO - moving on ...
-2024-12-09 10:29:15,852 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:15,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,853 - INFO - number of orbitals:  45
-2024-12-09 10:29:15,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,853 - INFO - moving on ...
-2024-12-09 10:29:15,853 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:15,855 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:15,855 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:15,855 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,855 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:15,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,855 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,855 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,857 - INFO - number of orbitals:  42
-2024-12-09 10:29:15,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,857 - INFO - moving on ...
-2024-12-09 10:29:15,857 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:15,857 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,857 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,857 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,859 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,859 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,859 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:15,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:15,859 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:15,875 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,875 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,875 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:15,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,875 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,875 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,877 - INFO - number of orbitals:  90
-2024-12-09 10:29:15,877 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,877 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,877 - INFO - moving on ...
-2024-12-09 10:29:15,877 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:15,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,879 - INFO - number of orbitals:  42
-2024-12-09 10:29:15,879 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,879 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,879 - INFO - moving on ...
-2024-12-09 10:29:15,879 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:15,879 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,879 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,879 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,881 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,881 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,881 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:15,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:15,881 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:15,896 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,897 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,897 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:15,897 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,897 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,897 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,899 - INFO - number of orbitals:  90
-2024-12-09 10:29:15,899 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,899 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,899 - INFO - moving on ...
-2024-12-09 10:29:15,899 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:15,900 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:15,901 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:15,901 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,901 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:15,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,902 - INFO - number of orbitals:  24
-2024-12-09 10:29:15,902 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,902 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,902 - INFO - moving on ...
-2024-12-09 10:29:15,902 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:15,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,903 - INFO - number of orbitals:  115
-2024-12-09 10:29:15,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,903 - INFO - moving on ...
-2024-12-09 10:29:15,903 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:15,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,905 - INFO - number of orbitals:  58
-2024-12-09 10:29:15,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,905 - INFO - moving on ...
-2024-12-09 10:29:15,905 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:15,906 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:15,906 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:15,906 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,906 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:15,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,907 - INFO - number of orbitals:  76
-2024-12-09 10:29:15,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,907 - INFO - moving on ...
-2024-12-09 10:29:15,907 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:15,908 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:15,908 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:15,908 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,908 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:15,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,909 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,909 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,909 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:15,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:15,909 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:15,925 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,926 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,926 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:15,927 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:15,927 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:15,927 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,927 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:15,927 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,927 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,927 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,930 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,930 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:15,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:15,930 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:15,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,947 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,948 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:15,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,950 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,950 - INFO - moving on ...
-2024-12-09 10:29:15,950 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:15,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,950 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,950 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,952 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,952 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:15,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:15,952 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:15,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,969 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,969 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:15,969 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,969 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,969 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,971 - INFO - number of orbitals:  36
-2024-12-09 10:29:15,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,971 - INFO - moving on ...
-2024-12-09 10:29:15,971 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:15,972 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,972 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,972 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,973 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:15,974 - INFO - number of supporting files: 1
-2024-12-09 10:29:15,974 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:15,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:15,974 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:15,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:15,992 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:15,992 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:15,992 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,992 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,992 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,994 - INFO - number of orbitals:  34
-2024-12-09 10:29:15,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,994 - INFO - moving on ...
-2024-12-09 10:29:15,995 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:15,997 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:15,997 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:15,997 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:15,997 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:15,997 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,997 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,997 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:15,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:15,999 - INFO - number of orbitals:  69
-2024-12-09 10:29:15,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:15,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:15,999 - INFO - moving on ...
-2024-12-09 10:29:15,999 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:15,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:15,999 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:15,999 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,001 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,001 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,001 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,002 - INFO - moving on ...
-2024-12-09 10:29:16,002 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:16,002 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,002 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,002 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,003 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,003 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,004 - INFO - moving on ...
-2024-12-09 10:29:16,004 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:16,005 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:16,005 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:16,005 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,005 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:16,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,006 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,006 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,006 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,006 - INFO - moving on ...
-2024-12-09 10:29:16,006 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:16,008 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:16,008 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:16,008 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,008 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:16,008 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,008 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,008 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,010 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,010 - INFO - moving on ...
-2024-12-09 10:29:16,010 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:16,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,012 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,012 - INFO - moving on ...
-2024-12-09 10:29:16,012 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:16,012 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,012 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,012 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,014 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,014 - INFO - moving on ...
-2024-12-09 10:29:16,014 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:16,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,016 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,016 - INFO - moving on ...
-2024-12-09 10:29:16,016 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:16,016 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,016 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,016 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,018 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,018 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,018 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,018 - INFO - moving on ...
-2024-12-09 10:29:16,018 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:16,018 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,018 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,018 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,020 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,020 - INFO - moving on ...
-2024-12-09 10:29:16,020 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:16,020 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,020 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,020 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,022 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,022 - INFO - moving on ...
-2024-12-09 10:29:16,022 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:16,022 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,022 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,022 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,024 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,024 - INFO - moving on ...
-2024-12-09 10:29:16,024 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:16,024 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,024 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,024 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,025 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,026 - INFO - moving on ...
-2024-12-09 10:29:16,026 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:16,026 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,026 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,026 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,027 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,027 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,027 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,027 - INFO - moving on ...
-2024-12-09 10:29:16,027 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:16,027 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,028 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,028 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,029 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,029 - INFO - moving on ...
-2024-12-09 10:29:16,029 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:16,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,031 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,031 - INFO - moving on ...
-2024-12-09 10:29:16,031 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:16,031 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,031 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,031 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,033 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,033 - INFO - moving on ...
-2024-12-09 10:29:16,033 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:16,033 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,033 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,033 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,035 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,035 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,035 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,035 - INFO - moving on ...
-2024-12-09 10:29:16,035 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:16,035 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,035 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,035 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,036 - INFO - number of orbitals:  25
-2024-12-09 10:29:16,036 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,036 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,036 - INFO - moving on ...
-2024-12-09 10:29:16,037 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:16,037 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,037 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,037 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,038 - INFO - number of orbitals:  39
-2024-12-09 10:29:16,038 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,038 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,038 - INFO - moving on ...
-2024-12-09 10:29:16,038 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:16,040 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:16,040 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:16,040 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,040 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:16,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,041 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,041 - INFO - moving on ...
-2024-12-09 10:29:16,041 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:16,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,043 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,043 - INFO - too many orbitals!  we are only considering max_num_orbitals 15.
-2024-12-09 10:29:16,043 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,043 - INFO - moving on ...
-2024-12-09 10:29:16,043 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:16,043 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:16,043 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:16,043 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,043 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:16,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,044 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,044 - INFO - moving on ...
-2024-12-09 10:29:16,044 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:16,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,045 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,046 - INFO - moving on ...
-2024-12-09 10:29:16,046 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:16,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,047 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,047 - INFO - moving on ...
-2024-12-09 10:29:16,047 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:16,047 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:16,047 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:16,047 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,047 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:16,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,048 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,048 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,048 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,048 - INFO - moving on ...
-2024-12-09 10:29:16,048 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:16,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,050 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,050 - INFO - moving on ...
-2024-12-09 10:29:16,050 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:16,050 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:16,050 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:16,050 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,050 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:16,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,051 - INFO - number of orbitals:  66
-2024-12-09 10:29:16,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,051 - INFO - moving on ...
-2024-12-09 10:29:16,051 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:16,052 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:16,052 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:16,052 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,052 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:16,052 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,053 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,054 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:16,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:16,054 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:16,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,070 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,070 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:16,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,072 - INFO - number of orbitals:  22
-2024-12-09 10:29:16,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,072 - INFO - moving on ...
-2024-12-09 10:29:16,072 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:16,072 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,072 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,072 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,074 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,074 - INFO - moving on ...
-2024-12-09 10:29:16,074 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:16,074 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,074 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,074 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,076 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,076 - INFO - moving on ...
-2024-12-09 10:29:16,076 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:16,076 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,076 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,076 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,078 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,078 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,078 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:16,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:16,078 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:16,093 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,094 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,094 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:16,094 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,094 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,094 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,095 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,096 - INFO - number of orbitals:  22
-2024-12-09 10:29:16,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,096 - INFO - moving on ...
-2024-12-09 10:29:16,096 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:16,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,098 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,098 - INFO - moving on ...
-2024-12-09 10:29:16,098 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:16,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,100 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,100 - INFO - moving on ...
-2024-12-09 10:29:16,100 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:16,100 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,100 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,100 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,101 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,101 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:16,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:16,102 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:16,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,117 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,118 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:16,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,119 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,120 - INFO - moving on ...
-2024-12-09 10:29:16,120 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:16,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,121 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,121 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,121 - INFO - moving on ...
-2024-12-09 10:29:16,122 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:16,122 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,122 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,122 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,123 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,123 - INFO - moving on ...
-2024-12-09 10:29:16,123 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:16,123 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:16,124 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:16,124 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,124 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:16,124 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,124 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,124 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,125 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,125 - INFO - moving on ...
-2024-12-09 10:29:16,125 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:16,125 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,126 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,126 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,127 - INFO - number of orbitals:  108
-2024-12-09 10:29:16,127 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,127 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,127 - INFO - moving on ...
-2024-12-09 10:29:16,127 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:16,127 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:16,127 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:16,127 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,128 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:16,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,129 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,129 - INFO - moving on ...
-2024-12-09 10:29:16,129 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:16,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,130 - INFO - number of orbitals:  135
-2024-12-09 10:29:16,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,130 - INFO - moving on ...
-2024-12-09 10:29:16,130 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:16,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,131 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,131 - INFO - moving on ...
-2024-12-09 10:29:16,131 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:16,131 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:16,131 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:16,132 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,132 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:16,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,133 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,133 - INFO - moving on ...
-2024-12-09 10:29:16,133 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:16,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,134 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,134 - INFO - moving on ...
-2024-12-09 10:29:16,134 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:16,134 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:16,134 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:16,134 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,134 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:16,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,136 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,136 - INFO - moving on ...
-2024-12-09 10:29:16,136 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:16,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,137 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,137 - INFO - moving on ...
-2024-12-09 10:29:16,137 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:16,137 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:16,137 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:16,137 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,137 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:16,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,138 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,139 - INFO - moving on ...
-2024-12-09 10:29:16,139 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:16,139 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:16,139 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:16,139 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,139 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:16,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,140 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,140 - INFO - moving on ...
-2024-12-09 10:29:16,140 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:16,140 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:16,140 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:16,140 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,140 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:16,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,142 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,142 - INFO - moving on ...
-2024-12-09 10:29:16,142 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:16,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,143 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,143 - INFO - moving on ...
-2024-12-09 10:29:16,143 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:16,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,144 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,144 - INFO - moving on ...
-2024-12-09 10:29:16,144 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:16,145 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:16,145 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:16,145 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,145 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:16,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,147 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,147 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,147 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:16,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:16,147 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:16,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,163 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,163 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:16,163 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,163 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,163 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,165 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,165 - INFO - moving on ...
-2024-12-09 10:29:16,165 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:16,165 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,168 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,168 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:16,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:16,168 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:16,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,185 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,185 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:16,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,187 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,188 - INFO - moving on ...
-2024-12-09 10:29:16,188 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:16,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,190 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,190 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:16,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:16,190 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:16,206 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,206 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,206 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:16,206 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,206 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,206 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,208 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,208 - INFO - moving on ...
-2024-12-09 10:29:16,208 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:16,208 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,209 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,209 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,210 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,210 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,210 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:16,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:16,211 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:16,226 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,227 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,227 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:16,227 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,227 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,227 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,229 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,229 - INFO - moving on ...
-2024-12-09 10:29:16,229 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:16,229 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:16,230 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:16,230 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,230 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:16,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,231 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,231 - INFO - moving on ...
-2024-12-09 10:29:16,231 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:16,231 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:16,231 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:16,231 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,231 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:16,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,233 - INFO - number of orbitals:  33
-2024-12-09 10:29:16,233 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,233 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,233 - INFO - moving on ...
-2024-12-09 10:29:16,233 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:16,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,234 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,234 - INFO - moving on ...
-2024-12-09 10:29:16,234 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:16,234 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:16,234 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:16,234 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,234 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:16,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,235 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,236 - INFO - moving on ...
-2024-12-09 10:29:16,236 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:16,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,237 - INFO - number of orbitals:  119
-2024-12-09 10:29:16,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,237 - INFO - moving on ...
-2024-12-09 10:29:16,237 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:16,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,238 - INFO - number of orbitals:  62
-2024-12-09 10:29:16,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,238 - INFO - moving on ...
-2024-12-09 10:29:16,238 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:16,238 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:16,238 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:16,238 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,238 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:16,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,240 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,240 - INFO - moving on ...
-2024-12-09 10:29:16,240 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:16,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,241 - INFO - number of orbitals:  135
-2024-12-09 10:29:16,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,241 - INFO - moving on ...
-2024-12-09 10:29:16,241 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:16,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,242 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,243 - INFO - moving on ...
-2024-12-09 10:29:16,243 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:16,243 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:16,243 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:16,243 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,243 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:16,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,244 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,244 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,244 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,244 - INFO - moving on ...
-2024-12-09 10:29:16,244 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:16,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,245 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,245 - INFO - moving on ...
-2024-12-09 10:29:16,245 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:16,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,247 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,247 - INFO - moving on ...
-2024-12-09 10:29:16,247 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:16,247 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:16,247 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:16,247 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,247 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:16,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,248 - INFO - number of orbitals:  38
-2024-12-09 10:29:16,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,248 - INFO - moving on ...
-2024-12-09 10:29:16,248 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:16,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,249 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,250 - INFO - moving on ...
-2024-12-09 10:29:16,250 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:16,250 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:16,250 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:16,250 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,250 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:16,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,251 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,251 - INFO - moving on ...
-2024-12-09 10:29:16,251 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:16,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,252 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,252 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,252 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,253 - INFO - moving on ...
-2024-12-09 10:29:16,253 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:16,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,254 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,254 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,254 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,254 - INFO - moving on ...
-2024-12-09 10:29:16,254 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:16,254 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:16,254 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:16,254 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,254 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:16,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,255 - INFO - number of orbitals:  38
-2024-12-09 10:29:16,255 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,255 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,255 - INFO - moving on ...
-2024-12-09 10:29:16,255 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:16,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,257 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,257 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,257 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,257 - INFO - moving on ...
-2024-12-09 10:29:16,257 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:16,257 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:16,257 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:16,257 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,257 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:16,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,258 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,258 - INFO - moving on ...
-2024-12-09 10:29:16,258 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:16,259 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:16,259 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:16,259 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,259 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:16,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,260 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,260 - INFO - moving on ...
-2024-12-09 10:29:16,260 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:16,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,261 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,261 - INFO - moving on ...
-2024-12-09 10:29:16,261 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:16,261 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:16,261 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:16,261 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,261 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:16,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,263 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,263 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,263 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:16,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:16,263 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:16,279 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,279 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,279 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:16,279 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:16,280 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:16,280 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,280 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:16,280 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,280 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,280 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,282 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,282 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,282 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,282 - INFO - moving on ...
-2024-12-09 10:29:16,282 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:16,282 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,282 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,282 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,284 - INFO - number of orbitals:  46
-2024-12-09 10:29:16,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,284 - INFO - moving on ...
-2024-12-09 10:29:16,284 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:16,284 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,284 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,284 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,286 - INFO - number of orbitals:  46
-2024-12-09 10:29:16,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,286 - INFO - moving on ...
-2024-12-09 10:29:16,286 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:16,286 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,286 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,286 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,288 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,288 - INFO - moving on ...
-2024-12-09 10:29:16,288 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:16,288 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:16,288 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:16,288 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,288 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:16,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,289 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,289 - INFO - number of supporting files: 2
-2024-12-09 10:29:16,289 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:16,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:16,289 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:16,304 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,304 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,305 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:16,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:16,305 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:16,305 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:16,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,306 - INFO - number of orbitals:  85
-2024-12-09 10:29:16,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,306 - INFO - moving on ...
-2024-12-09 10:29:16,306 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:16,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,307 - INFO - number of orbitals:  44
-2024-12-09 10:29:16,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,307 - INFO - moving on ...
-2024-12-09 10:29:16,308 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:16,308 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:16,308 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:16,308 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,308 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:16,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,309 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,309 - INFO - moving on ...
-2024-12-09 10:29:16,309 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:16,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,310 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,310 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,310 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,310 - INFO - moving on ...
-2024-12-09 10:29:16,310 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:16,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,311 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,311 - INFO - moving on ...
-2024-12-09 10:29:16,312 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:16,312 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:16,312 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:16,312 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,312 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:16,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,313 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,313 - INFO - number of supporting files: 2
-2024-12-09 10:29:16,313 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:16,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:16,313 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:16,329 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,329 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,329 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:16,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:16,329 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:16,329 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:16,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,331 - INFO - number of orbitals:  85
-2024-12-09 10:29:16,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,331 - INFO - moving on ...
-2024-12-09 10:29:16,331 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:16,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,332 - INFO - number of orbitals:  44
-2024-12-09 10:29:16,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,332 - INFO - moving on ...
-2024-12-09 10:29:16,332 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:16,333 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:16,333 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:16,333 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,333 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:16,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,334 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,334 - INFO - moving on ...
-2024-12-09 10:29:16,334 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:16,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,336 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,336 - INFO - moving on ...
-2024-12-09 10:29:16,336 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:16,336 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:16,336 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:16,336 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,336 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:16,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,337 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,337 - INFO - moving on ...
-2024-12-09 10:29:16,337 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:16,337 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:16,337 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:16,338 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,338 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:16,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,339 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,339 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,339 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:16,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:16,340 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:16,359 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,360 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,360 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:16,360 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,360 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,360 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,362 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,362 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,362 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:16,362 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:16,362 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:16,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,378 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,378 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:16,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,380 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,380 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,380 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:16,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:16,380 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:16,396 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,396 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,396 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:16,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,398 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,398 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,398 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:16,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:16,398 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:16,414 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,415 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,415 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:16,415 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,415 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,415 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,417 - INFO - number of orbitals:  33
-2024-12-09 10:29:16,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,417 - INFO - moving on ...
-2024-12-09 10:29:16,417 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:16,417 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,417 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,417 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,419 - INFO - number of orbitals:  23
-2024-12-09 10:29:16,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,419 - INFO - moving on ...
-2024-12-09 10:29:16,419 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:16,419 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,419 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,419 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,421 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,421 - INFO - moving on ...
-2024-12-09 10:29:16,421 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:16,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,423 - INFO - number of orbitals:  21
-2024-12-09 10:29:16,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,423 - INFO - moving on ...
-2024-12-09 10:29:16,423 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:16,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,425 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,425 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,425 - INFO - moving on ...
-2024-12-09 10:29:16,425 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:16,425 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:16,425 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:16,425 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,425 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:16,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,426 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,426 - INFO - moving on ...
-2024-12-09 10:29:16,426 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:16,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,428 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,428 - INFO - moving on ...
-2024-12-09 10:29:16,428 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:16,428 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:16,428 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:16,428 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,428 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:16,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,429 - INFO - number of orbitals:  29
-2024-12-09 10:29:16,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,429 - INFO - moving on ...
-2024-12-09 10:29:16,429 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:16,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,430 - INFO - number of orbitals:  72
-2024-12-09 10:29:16,430 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,430 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,431 - INFO - moving on ...
-2024-12-09 10:29:16,431 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:16,431 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:16,431 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:16,431 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,431 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:16,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,432 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,432 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,432 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:16,432 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:16,432 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:16,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,448 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,448 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:16,448 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:16,448 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:16,448 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,448 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:16,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,450 - INFO - number of orbitals:  48
-2024-12-09 10:29:16,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,450 - INFO - moving on ...
-2024-12-09 10:29:16,450 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:16,450 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:16,450 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:16,450 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,450 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:16,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,451 - INFO - number of orbitals:  48
-2024-12-09 10:29:16,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,451 - INFO - moving on ...
-2024-12-09 10:29:16,451 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:16,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,452 - INFO - number of orbitals:  116
-2024-12-09 10:29:16,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,452 - INFO - moving on ...
-2024-12-09 10:29:16,453 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:16,453 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:16,453 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:16,453 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,453 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:16,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,454 - INFO - number of orbitals:  22
-2024-12-09 10:29:16,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,454 - INFO - moving on ...
-2024-12-09 10:29:16,454 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:16,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,455 - INFO - number of orbitals:  79
-2024-12-09 10:29:16,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,455 - INFO - moving on ...
-2024-12-09 10:29:16,455 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:16,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,457 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,457 - INFO - moving on ...
-2024-12-09 10:29:16,457 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:16,457 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:16,457 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:16,457 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,457 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:16,457 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,457 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,457 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,459 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,459 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,459 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:16,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:16,459 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:16,475 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,475 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,475 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:16,475 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,475 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,475 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,477 - INFO - number of orbitals:  26
-2024-12-09 10:29:16,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,477 - INFO - moving on ...
-2024-12-09 10:29:16,477 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:16,477 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,478 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,478 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,480 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,480 - INFO - moving on ...
-2024-12-09 10:29:16,480 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:16,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,482 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,482 - INFO - moving on ...
-2024-12-09 10:29:16,482 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:16,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,484 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,484 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,484 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:16,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:16,484 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:16,498 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,499 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,499 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:16,499 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,499 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,499 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,501 - INFO - number of orbitals:  26
-2024-12-09 10:29:16,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,501 - INFO - moving on ...
-2024-12-09 10:29:16,501 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:16,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,503 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,503 - INFO - moving on ...
-2024-12-09 10:29:16,503 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:16,503 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,503 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,503 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,505 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,505 - INFO - moving on ...
-2024-12-09 10:29:16,505 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:16,505 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,505 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,506 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,507 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,507 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:16,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:16,507 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:16,522 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,523 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,523 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:16,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,525 - INFO - number of orbitals:  26
-2024-12-09 10:29:16,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,525 - INFO - moving on ...
-2024-12-09 10:29:16,525 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:16,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,525 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,525 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,527 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,527 - INFO - moving on ...
-2024-12-09 10:29:16,527 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:16,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,529 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,529 - INFO - moving on ...
-2024-12-09 10:29:16,529 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:16,529 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:16,529 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:16,529 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,529 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:16,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,530 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,530 - INFO - number of supporting files: 2
-2024-12-09 10:29:16,530 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:16,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:16,531 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:16,545 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,546 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,546 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:16,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:16,546 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:16,546 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:16,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,547 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,547 - INFO - moving on ...
-2024-12-09 10:29:16,547 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:16,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,548 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,548 - INFO - moving on ...
-2024-12-09 10:29:16,548 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:16,549 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:16,549 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:16,549 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,549 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:16,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,550 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,550 - INFO - moving on ...
-2024-12-09 10:29:16,550 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:16,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,551 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,551 - INFO - moving on ...
-2024-12-09 10:29:16,551 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:16,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,552 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,553 - INFO - moving on ...
-2024-12-09 10:29:16,553 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:16,553 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:16,553 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:16,553 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,553 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:16,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,554 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,554 - INFO - moving on ...
-2024-12-09 10:29:16,554 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:16,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,555 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,555 - INFO - moving on ...
-2024-12-09 10:29:16,555 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:16,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,557 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,557 - INFO - moving on ...
-2024-12-09 10:29:16,557 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:16,557 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:16,557 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:16,557 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,557 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:16,557 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,557 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,557 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,559 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,559 - INFO - moving on ...
-2024-12-09 10:29:16,559 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:16,559 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,559 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,559 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,561 - INFO - number of orbitals:  53
-2024-12-09 10:29:16,561 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,561 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,561 - INFO - moving on ...
-2024-12-09 10:29:16,561 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:16,561 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,561 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,561 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,562 - INFO - number of orbitals:  58
-2024-12-09 10:29:16,563 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,563 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,563 - INFO - moving on ...
-2024-12-09 10:29:16,563 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:16,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,563 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,563 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,564 - INFO - number of orbitals:  44
-2024-12-09 10:29:16,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,564 - INFO - moving on ...
-2024-12-09 10:29:16,565 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:16,565 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,566 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,566 - INFO - moving on ...
-2024-12-09 10:29:16,566 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:16,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,568 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,568 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,568 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,568 - INFO - moving on ...
-2024-12-09 10:29:16,568 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:16,568 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,568 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,570 - INFO - number of orbitals:  44
-2024-12-09 10:29:16,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,570 - INFO - moving on ...
-2024-12-09 10:29:16,570 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:16,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,572 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,572 - INFO - moving on ...
-2024-12-09 10:29:16,572 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:16,572 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,572 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,572 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,574 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,574 - INFO - moving on ...
-2024-12-09 10:29:16,574 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:16,574 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:16,574 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:16,574 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,574 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:16,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,575 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,575 - INFO - moving on ...
-2024-12-09 10:29:16,575 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:16,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,576 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,577 - INFO - moving on ...
-2024-12-09 10:29:16,577 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:16,577 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:16,577 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:16,577 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,577 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:16,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,578 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,578 - INFO - moving on ...
-2024-12-09 10:29:16,578 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:16,578 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:16,578 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:16,578 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,578 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:16,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,580 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,580 - INFO - moving on ...
-2024-12-09 10:29:16,580 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:16,580 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:16,580 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:16,580 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,580 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:16,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,581 - INFO - number of orbitals:  33
-2024-12-09 10:29:16,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,581 - INFO - moving on ...
-2024-12-09 10:29:16,581 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:16,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,582 - INFO - number of orbitals:  74
-2024-12-09 10:29:16,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,582 - INFO - moving on ...
-2024-12-09 10:29:16,582 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:16,583 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:16,583 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:16,583 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,583 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:16,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,584 - INFO - number of orbitals:  38
-2024-12-09 10:29:16,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,584 - INFO - moving on ...
-2024-12-09 10:29:16,584 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:16,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,585 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,585 - INFO - moving on ...
-2024-12-09 10:29:16,585 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:16,585 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:16,585 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:16,585 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,585 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:16,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,586 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,587 - INFO - moving on ...
-2024-12-09 10:29:16,587 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:16,587 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:16,587 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:16,587 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,587 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:16,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,588 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,588 - INFO - moving on ...
-2024-12-09 10:29:16,588 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:16,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,589 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,589 - INFO - moving on ...
-2024-12-09 10:29:16,589 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:16,590 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:16,590 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:16,590 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,590 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:16,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,591 - INFO - number of orbitals:  47
-2024-12-09 10:29:16,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,591 - INFO - moving on ...
-2024-12-09 10:29:16,591 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:16,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,592 - INFO - number of orbitals:  106
-2024-12-09 10:29:16,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,592 - INFO - moving on ...
-2024-12-09 10:29:16,592 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:16,592 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:16,592 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:16,592 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,592 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:16,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,594 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,594 - INFO - moving on ...
-2024-12-09 10:29:16,594 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:16,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,595 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,595 - INFO - moving on ...
-2024-12-09 10:29:16,595 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:16,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,596 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,596 - INFO - moving on ...
-2024-12-09 10:29:16,596 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:16,596 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:16,596 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:16,597 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,597 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:16,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,598 - INFO - number of orbitals:  32
-2024-12-09 10:29:16,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,598 - INFO - moving on ...
-2024-12-09 10:29:16,598 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:16,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,599 - INFO - number of orbitals:  114
-2024-12-09 10:29:16,599 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,599 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,599 - INFO - moving on ...
-2024-12-09 10:29:16,599 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:16,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,600 - INFO - number of orbitals:  64
-2024-12-09 10:29:16,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,600 - INFO - moving on ...
-2024-12-09 10:29:16,600 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:16,601 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:16,601 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:16,601 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,601 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:16,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,602 - INFO - number of orbitals:  24
-2024-12-09 10:29:16,602 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,602 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,602 - INFO - moving on ...
-2024-12-09 10:29:16,602 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:16,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,603 - INFO - number of orbitals:  115
-2024-12-09 10:29:16,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,603 - INFO - moving on ...
-2024-12-09 10:29:16,603 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:16,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,604 - INFO - number of orbitals:  58
-2024-12-09 10:29:16,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,605 - INFO - moving on ...
-2024-12-09 10:29:16,605 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:16,605 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:16,605 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:16,605 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,605 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:16,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,606 - INFO - number of orbitals:  37
-2024-12-09 10:29:16,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,606 - INFO - moving on ...
-2024-12-09 10:29:16,606 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:16,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,607 - INFO - number of orbitals:  78
-2024-12-09 10:29:16,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,608 - INFO - moving on ...
-2024-12-09 10:29:16,608 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:16,608 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:16,608 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:16,608 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,608 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:16,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,609 - INFO - number of orbitals:  58
-2024-12-09 10:29:16,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,609 - INFO - moving on ...
-2024-12-09 10:29:16,609 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:16,609 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:16,609 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:16,609 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,609 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:16,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,610 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,611 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,611 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:16,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:16,611 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:16,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,626 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,627 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:16,627 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:16,627 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:16,627 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,627 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:16,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,628 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,628 - INFO - moving on ...
-2024-12-09 10:29:16,628 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:16,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,629 - INFO - number of orbitals:  86
-2024-12-09 10:29:16,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,630 - INFO - moving on ...
-2024-12-09 10:29:16,630 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:16,630 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:16,630 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:16,630 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,630 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:16,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,631 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,631 - INFO - moving on ...
-2024-12-09 10:29:16,631 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:16,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,632 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,632 - INFO - moving on ...
-2024-12-09 10:29:16,632 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:16,632 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:16,632 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:16,633 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,633 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:16,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,634 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,634 - INFO - moving on ...
-2024-12-09 10:29:16,634 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:16,634 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:16,634 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:16,634 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,634 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:16,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,635 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,635 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,635 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,635 - INFO - moving on ...
-2024-12-09 10:29:16,635 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:16,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,637 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,637 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,637 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,637 - INFO - moving on ...
-2024-12-09 10:29:16,637 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:16,637 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:16,637 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:16,637 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,637 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:16,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,638 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,638 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,638 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,638 - INFO - moving on ...
-2024-12-09 10:29:16,638 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:16,638 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:16,638 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:16,639 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,639 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:16,640 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,640 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,640 - INFO - moving on ...
-2024-12-09 10:29:16,640 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:16,640 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:16,640 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:16,640 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,640 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:16,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,641 - INFO - number of orbitals:  48
-2024-12-09 10:29:16,641 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,641 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,641 - INFO - moving on ...
-2024-12-09 10:29:16,641 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:16,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,643 - INFO - number of orbitals:  116
-2024-12-09 10:29:16,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,643 - INFO - moving on ...
-2024-12-09 10:29:16,643 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:16,643 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:16,643 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:16,643 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,643 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:16,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,644 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,644 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,644 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,644 - INFO - moving on ...
-2024-12-09 10:29:16,644 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:16,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,645 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,646 - INFO - moving on ...
-2024-12-09 10:29:16,646 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:16,646 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:16,646 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:16,646 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,646 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:16,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,647 - INFO - number of orbitals:  38
-2024-12-09 10:29:16,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,647 - INFO - moving on ...
-2024-12-09 10:29:16,647 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:16,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,648 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,648 - INFO - moving on ...
-2024-12-09 10:29:16,648 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:16,649 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:16,649 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:16,649 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,649 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:16,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,650 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,650 - INFO - moving on ...
-2024-12-09 10:29:16,650 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:16,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,651 - INFO - number of orbitals:  110
-2024-12-09 10:29:16,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,651 - INFO - moving on ...
-2024-12-09 10:29:16,651 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:16,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,652 - INFO - number of orbitals:  60
-2024-12-09 10:29:16,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,652 - INFO - moving on ...
-2024-12-09 10:29:16,652 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:16,653 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:16,653 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:16,653 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,653 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:16,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,654 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,654 - INFO - moving on ...
-2024-12-09 10:29:16,654 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:16,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,655 - INFO - number of orbitals:  135
-2024-12-09 10:29:16,655 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,655 - INFO - moving on ...
-2024-12-09 10:29:16,655 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:16,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,656 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,657 - INFO - moving on ...
-2024-12-09 10:29:16,657 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:16,657 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:16,657 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:16,657 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,657 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:16,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,658 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,658 - INFO - moving on ...
-2024-12-09 10:29:16,658 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:16,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,659 - INFO - number of orbitals:  119
-2024-12-09 10:29:16,660 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,660 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,660 - INFO - moving on ...
-2024-12-09 10:29:16,660 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:16,661 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,661 - INFO - number of orbitals:  62
-2024-12-09 10:29:16,661 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,661 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,661 - INFO - moving on ...
-2024-12-09 10:29:16,661 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:16,661 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:16,661 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:16,661 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,661 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:16,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,662 - INFO - number of orbitals:  32
-2024-12-09 10:29:16,662 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,662 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,662 - INFO - moving on ...
-2024-12-09 10:29:16,663 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:16,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,664 - INFO - number of orbitals:  64
-2024-12-09 10:29:16,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,664 - INFO - moving on ...
-2024-12-09 10:29:16,664 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:16,664 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:16,664 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:16,664 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,664 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:16,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,665 - INFO - number of orbitals:  52
-2024-12-09 10:29:16,665 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,665 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,665 - INFO - moving on ...
-2024-12-09 10:29:16,665 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:16,665 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:16,666 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:16,666 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,666 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:16,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,667 - INFO - number of orbitals:  23
-2024-12-09 10:29:16,667 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,667 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,667 - INFO - moving on ...
-2024-12-09 10:29:16,667 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:16,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,668 - INFO - number of orbitals:  89
-2024-12-09 10:29:16,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,668 - INFO - moving on ...
-2024-12-09 10:29:16,668 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:16,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,669 - INFO - number of orbitals:  48
-2024-12-09 10:29:16,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,670 - INFO - moving on ...
-2024-12-09 10:29:16,670 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:16,670 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:16,670 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:16,670 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,670 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:16,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,671 - INFO - number of orbitals:  46
-2024-12-09 10:29:16,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,671 - INFO - moving on ...
-2024-12-09 10:29:16,671 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:16,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,672 - INFO - number of orbitals:  94
-2024-12-09 10:29:16,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,672 - INFO - moving on ...
-2024-12-09 10:29:16,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:16,673 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:16,673 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:16,673 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,673 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:16,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,674 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,674 - INFO - moving on ...
-2024-12-09 10:29:16,674 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:16,674 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:16,674 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:16,674 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,674 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:16,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,676 - INFO - number of orbitals:  22
-2024-12-09 10:29:16,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,676 - INFO - moving on ...
-2024-12-09 10:29:16,676 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:16,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,677 - INFO - number of orbitals:  79
-2024-12-09 10:29:16,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,677 - INFO - moving on ...
-2024-12-09 10:29:16,677 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:16,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,678 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,678 - INFO - moving on ...
-2024-12-09 10:29:16,678 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:16,678 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:16,678 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:16,679 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,679 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:16,679 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,680 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,680 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,681 - INFO - moving on ...
-2024-12-09 10:29:16,681 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:16,681 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,681 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,681 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,682 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,682 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,683 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:16,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:16,683 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:16,699 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,699 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,699 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:16,700 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,702 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,702 - INFO - moving on ...
-2024-12-09 10:29:16,702 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:16,702 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,704 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,704 - INFO - moving on ...
-2024-12-09 10:29:16,704 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:16,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,704 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,704 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,706 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,706 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:16,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:16,706 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:16,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,722 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,727 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:16,727 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,727 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,727 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,729 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,729 - INFO - moving on ...
-2024-12-09 10:29:16,729 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:16,729 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:16,729 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:16,729 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,729 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:16,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,731 - INFO - number of orbitals:  24
-2024-12-09 10:29:16,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,731 - INFO - moving on ...
-2024-12-09 10:29:16,731 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:16,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,732 - INFO - number of orbitals:  115
-2024-12-09 10:29:16,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,732 - INFO - moving on ...
-2024-12-09 10:29:16,732 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:16,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,733 - INFO - number of orbitals:  58
-2024-12-09 10:29:16,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,733 - INFO - moving on ...
-2024-12-09 10:29:16,733 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:16,734 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:16,734 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:16,734 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,734 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:16,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,735 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,735 - INFO - moving on ...
-2024-12-09 10:29:16,735 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:16,735 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:16,735 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:16,735 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,735 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:16,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,736 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,736 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,737 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:16,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:16,737 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:16,753 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,753 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,753 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:16,753 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:16,753 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:16,754 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,754 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:16,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,756 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,756 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:16,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:16,756 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:16,772 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,772 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,772 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:16,772 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,774 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,775 - INFO - moving on ...
-2024-12-09 10:29:16,775 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:16,775 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,776 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,776 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,776 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:16,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:16,776 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:16,792 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,793 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,793 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:16,793 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,793 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,793 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,795 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,795 - INFO - moving on ...
-2024-12-09 10:29:16,795 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:16,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,797 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,797 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:16,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:16,797 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:16,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,814 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,814 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:16,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,816 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,816 - INFO - moving on ...
-2024-12-09 10:29:16,816 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:16,816 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:16,816 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:16,816 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,816 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:16,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,817 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,817 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,819 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,819 - INFO - moving on ...
-2024-12-09 10:29:16,819 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:16,819 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,819 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,819 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,821 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,821 - INFO - moving on ...
-2024-12-09 10:29:16,821 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:16,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,823 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,824 - INFO - moving on ...
-2024-12-09 10:29:16,824 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:16,824 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:16,824 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:16,824 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,824 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:16,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,825 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,825 - INFO - moving on ...
-2024-12-09 10:29:16,825 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:16,826 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:16,826 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:16,826 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,826 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:16,826 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,828 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,828 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,828 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,828 - INFO - moving on ...
-2024-12-09 10:29:16,828 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:16,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,831 - INFO - number of orbitals:  70
-2024-12-09 10:29:16,831 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,831 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,831 - INFO - moving on ...
-2024-12-09 10:29:16,831 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:16,831 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,833 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,833 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,833 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,834 - INFO - moving on ...
-2024-12-09 10:29:16,834 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:16,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,835 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,835 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,835 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,835 - INFO - moving on ...
-2024-12-09 10:29:16,835 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:16,835 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,835 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,836 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,837 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,837 - INFO - moving on ...
-2024-12-09 10:29:16,837 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:16,837 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,837 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,837 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,839 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,839 - INFO - moving on ...
-2024-12-09 10:29:16,839 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:16,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,839 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,839 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,841 - INFO - number of orbitals:  55
-2024-12-09 10:29:16,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,841 - INFO - moving on ...
-2024-12-09 10:29:16,841 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:16,841 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,841 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,841 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,843 - INFO - number of orbitals:  69
-2024-12-09 10:29:16,843 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,843 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,843 - INFO - moving on ...
-2024-12-09 10:29:16,843 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:16,843 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,843 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,843 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,844 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,845 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,845 - INFO - moving on ...
-2024-12-09 10:29:16,845 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:16,845 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,845 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,847 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,847 - INFO - moving on ...
-2024-12-09 10:29:16,847 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:16,847 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,847 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,847 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,848 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,849 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,849 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,849 - INFO - moving on ...
-2024-12-09 10:29:16,849 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:16,849 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,849 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,849 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,850 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,850 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,850 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,850 - INFO - moving on ...
-2024-12-09 10:29:16,850 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:16,850 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,852 - INFO - number of orbitals:  31
-2024-12-09 10:29:16,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,852 - INFO - moving on ...
-2024-12-09 10:29:16,852 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:16,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,852 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,854 - INFO - number of orbitals:  45
-2024-12-09 10:29:16,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,854 - INFO - moving on ...
-2024-12-09 10:29:16,854 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:16,854 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,854 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,854 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,856 - INFO - number of orbitals:  25
-2024-12-09 10:29:16,856 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,856 - INFO - moving on ...
-2024-12-09 10:29:16,856 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:16,856 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,856 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,856 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,857 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,858 - INFO - number of orbitals:  39
-2024-12-09 10:29:16,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,858 - INFO - moving on ...
-2024-12-09 10:29:16,858 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:16,858 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:16,858 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:16,858 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,858 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:16,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,859 - INFO - number of orbitals:  42
-2024-12-09 10:29:16,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,859 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,859 - INFO - moving on ...
-2024-12-09 10:29:16,859 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:16,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,861 - INFO - number of orbitals:  90
-2024-12-09 10:29:16,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 20.
-2024-12-09 10:29:16,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,861 - INFO - moving on ...
-2024-12-09 10:29:16,861 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:16,861 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:16,861 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:16,861 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,861 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:16,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,862 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,862 - INFO - moving on ...
-2024-12-09 10:29:16,862 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:16,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,864 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,864 - INFO - moving on ...
-2024-12-09 10:29:16,864 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:16,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,865 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,865 - INFO - moving on ...
-2024-12-09 10:29:16,865 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:16,865 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:16,865 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:16,865 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,865 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:16,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,866 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,866 - INFO - moving on ...
-2024-12-09 10:29:16,866 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:16,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,868 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,868 - INFO - moving on ...
-2024-12-09 10:29:16,868 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:16,868 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:16,868 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:16,868 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,868 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:16,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,869 - INFO - number of orbitals:  66
-2024-12-09 10:29:16,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,869 - INFO - moving on ...
-2024-12-09 10:29:16,869 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:16,870 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:16,870 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:16,870 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,870 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:16,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,872 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,872 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:16,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:16,872 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:16,887 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,888 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,888 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:16,888 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,888 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,888 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,890 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,890 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:16,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:16,890 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:16,905 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,906 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,906 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:16,906 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,906 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,906 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,908 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,908 - INFO - moving on ...
-2024-12-09 10:29:16,908 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:16,908 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,908 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,908 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,910 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,910 - INFO - moving on ...
-2024-12-09 10:29:16,910 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:16,910 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,910 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,910 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,911 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,911 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:16,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:16,912 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:16,927 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,927 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,927 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:16,928 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,928 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,928 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,930 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,930 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:16,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:16,930 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:16,945 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,946 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,946 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:16,946 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,946 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,946 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,948 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,948 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,948 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,948 - INFO - moving on ...
-2024-12-09 10:29:16,948 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:16,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,950 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,950 - INFO - moving on ...
-2024-12-09 10:29:16,950 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:16,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,950 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,950 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:16,952 - INFO - number of supporting files: 1
-2024-12-09 10:29:16,952 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:16,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:16,952 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:16,967 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:16,968 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:16,968 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:16,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,970 - INFO - number of orbitals:  28
-2024-12-09 10:29:16,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,971 - INFO - moving on ...
-2024-12-09 10:29:16,971 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:16,971 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,971 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,971 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,973 - INFO - number of orbitals:  34
-2024-12-09 10:29:16,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,973 - INFO - moving on ...
-2024-12-09 10:29:16,973 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:16,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,973 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,973 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,975 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,975 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,975 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,975 - INFO - moving on ...
-2024-12-09 10:29:16,975 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:16,975 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:16,975 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:16,975 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,975 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:16,975 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,976 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,976 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,977 - INFO - number of orbitals:  30
-2024-12-09 10:29:16,977 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,977 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,977 - INFO - moving on ...
-2024-12-09 10:29:16,978 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:16,978 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,978 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,978 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:16,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,979 - INFO - number of orbitals:  108
-2024-12-09 10:29:16,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,980 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,980 - INFO - moving on ...
-2024-12-09 10:29:16,980 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:16,980 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:16,980 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:16,980 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,980 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:16,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,981 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,981 - INFO - moving on ...
-2024-12-09 10:29:16,981 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:16,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,983 - INFO - number of orbitals:  135
-2024-12-09 10:29:16,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,983 - INFO - moving on ...
-2024-12-09 10:29:16,983 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:16,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,984 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,984 - INFO - moving on ...
-2024-12-09 10:29:16,984 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:16,984 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:16,984 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:16,984 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,984 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:16,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,986 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,986 - INFO - moving on ...
-2024-12-09 10:29:16,986 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:16,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,987 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,987 - INFO - moving on ...
-2024-12-09 10:29:16,987 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:16,988 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:16,988 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:16,988 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,988 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:16,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,989 - INFO - number of orbitals:  54
-2024-12-09 10:29:16,989 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,989 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,989 - INFO - moving on ...
-2024-12-09 10:29:16,989 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:16,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,990 - INFO - number of orbitals:  88
-2024-12-09 10:29:16,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,991 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,991 - INFO - moving on ...
-2024-12-09 10:29:16,991 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:16,991 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:16,991 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:16,991 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,991 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:16,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,992 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,992 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,992 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,992 - INFO - moving on ...
-2024-12-09 10:29:16,992 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:16,992 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:16,992 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:16,993 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,993 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:16,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,994 - INFO - number of orbitals:  76
-2024-12-09 10:29:16,994 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,994 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,994 - INFO - moving on ...
-2024-12-09 10:29:16,994 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:16,994 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:16,994 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:16,994 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,994 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:16,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,996 - INFO - number of orbitals:  36
-2024-12-09 10:29:16,996 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,996 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,996 - INFO - moving on ...
-2024-12-09 10:29:16,996 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:16,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,997 - INFO - number of orbitals:  118
-2024-12-09 10:29:16,997 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,997 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,997 - INFO - moving on ...
-2024-12-09 10:29:16,997 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:16,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:16,998 - INFO - number of orbitals:  68
-2024-12-09 10:29:16,998 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:16,998 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:16,998 - INFO - moving on ...
-2024-12-09 10:29:16,998 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:16,998 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:16,999 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:16,999 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:16,999 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:16,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:16,999 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:16,999 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,000 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,000 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,000 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:17,000 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:17,001 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:17,016 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,017 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,017 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:17,017 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,017 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,017 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,019 - INFO - number of orbitals:  30
-2024-12-09 10:29:17,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,019 - INFO - moving on ...
-2024-12-09 10:29:17,019 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:17,019 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,019 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,019 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,025 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,025 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,025 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:17,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:17,025 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:17,042 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,042 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,042 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:17,042 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,042 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,042 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,044 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,045 - INFO - moving on ...
-2024-12-09 10:29:17,045 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:17,045 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,045 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,045 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,046 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,047 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,047 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:17,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:17,047 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:17,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,063 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,063 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:17,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,066 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,066 - INFO - moving on ...
-2024-12-09 10:29:17,066 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:17,066 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,066 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,066 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,068 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,068 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:17,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:17,068 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:17,083 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,084 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,084 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:17,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,086 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,086 - INFO - moving on ...
-2024-12-09 10:29:17,086 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:17,086 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:17,086 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:17,086 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,086 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:17,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,088 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,088 - INFO - moving on ...
-2024-12-09 10:29:17,088 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:17,088 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:17,088 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:17,088 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,088 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:17,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,089 - INFO - number of orbitals:  33
-2024-12-09 10:29:17,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,089 - INFO - moving on ...
-2024-12-09 10:29:17,089 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:17,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,090 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,091 - INFO - moving on ...
-2024-12-09 10:29:17,091 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:17,091 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:17,091 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:17,091 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,091 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:17,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,092 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,092 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,092 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,092 - INFO - moving on ...
-2024-12-09 10:29:17,092 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:17,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,093 - INFO - number of orbitals:  119
-2024-12-09 10:29:17,093 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,093 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,093 - INFO - moving on ...
-2024-12-09 10:29:17,094 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:17,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,095 - INFO - number of orbitals:  62
-2024-12-09 10:29:17,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,095 - INFO - moving on ...
-2024-12-09 10:29:17,095 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:17,095 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:17,095 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:17,095 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,095 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:17,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,096 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,096 - INFO - moving on ...
-2024-12-09 10:29:17,096 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:17,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,098 - INFO - number of orbitals:  135
-2024-12-09 10:29:17,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,098 - INFO - moving on ...
-2024-12-09 10:29:17,098 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:17,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,099 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,099 - INFO - moving on ...
-2024-12-09 10:29:17,099 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:17,099 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:17,099 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:17,099 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,099 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:17,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,101 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,101 - INFO - moving on ...
-2024-12-09 10:29:17,101 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:17,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,102 - INFO - number of orbitals:  118
-2024-12-09 10:29:17,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,102 - INFO - moving on ...
-2024-12-09 10:29:17,102 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:17,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,103 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,103 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,103 - INFO - moving on ...
-2024-12-09 10:29:17,103 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:17,103 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:17,104 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:17,104 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,104 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:17,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,105 - INFO - number of orbitals:  38
-2024-12-09 10:29:17,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,105 - INFO - moving on ...
-2024-12-09 10:29:17,105 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:17,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,106 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,106 - INFO - moving on ...
-2024-12-09 10:29:17,106 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:17,106 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:17,106 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:17,106 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,106 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:17,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,108 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,108 - INFO - moving on ...
-2024-12-09 10:29:17,108 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:17,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,109 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,109 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,109 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,109 - INFO - moving on ...
-2024-12-09 10:29:17,109 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:17,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,110 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,110 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,110 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,110 - INFO - moving on ...
-2024-12-09 10:29:17,110 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:17,110 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:17,110 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:17,110 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,111 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:17,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,112 - INFO - number of orbitals:  38
-2024-12-09 10:29:17,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,112 - INFO - moving on ...
-2024-12-09 10:29:17,112 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:17,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,113 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,113 - INFO - moving on ...
-2024-12-09 10:29:17,113 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:17,113 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:17,113 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:17,113 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,113 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:17,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,115 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,115 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,115 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,115 - INFO - moving on ...
-2024-12-09 10:29:17,115 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:17,115 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:17,115 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:17,115 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,115 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:17,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,116 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,116 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,117 - INFO - moving on ...
-2024-12-09 10:29:17,117 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:17,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,118 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,119 - INFO - moving on ...
-2024-12-09 10:29:17,119 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:17,119 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:17,119 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:17,119 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,119 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:17,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,121 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,121 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,121 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:17,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:17,121 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:17,137 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,138 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,138 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:17,138 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:17,138 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:17,138 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,138 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:17,138 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,138 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,138 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,140 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,140 - INFO - moving on ...
-2024-12-09 10:29:17,140 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:17,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,142 - INFO - number of orbitals:  46
-2024-12-09 10:29:17,142 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,143 - INFO - moving on ...
-2024-12-09 10:29:17,143 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:17,143 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,143 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,143 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,144 - INFO - number of orbitals:  46
-2024-12-09 10:29:17,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,145 - INFO - moving on ...
-2024-12-09 10:29:17,145 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:17,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,146 - INFO - number of orbitals:  30
-2024-12-09 10:29:17,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,146 - INFO - moving on ...
-2024-12-09 10:29:17,146 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:17,147 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:17,147 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:17,147 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,147 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:17,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,148 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,148 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:17,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:17,148 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:17,164 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,164 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,165 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:17,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:17,165 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,165 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:17,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,166 - INFO - number of orbitals:  85
-2024-12-09 10:29:17,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,166 - INFO - moving on ...
-2024-12-09 10:29:17,166 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:17,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,167 - INFO - number of orbitals:  44
-2024-12-09 10:29:17,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,168 - INFO - moving on ...
-2024-12-09 10:29:17,168 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:17,168 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:17,168 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:17,168 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,168 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:17,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,169 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,169 - INFO - moving on ...
-2024-12-09 10:29:17,169 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:17,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,170 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,170 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,170 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,171 - INFO - moving on ...
-2024-12-09 10:29:17,171 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:17,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,172 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,172 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,172 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,172 - INFO - moving on ...
-2024-12-09 10:29:17,172 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:17,172 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:17,172 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:17,172 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,172 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:17,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,173 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,173 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,174 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:17,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:17,174 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:17,190 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,191 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,191 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:17,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:17,191 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,191 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:17,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,193 - INFO - number of orbitals:  85
-2024-12-09 10:29:17,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,193 - INFO - moving on ...
-2024-12-09 10:29:17,193 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:17,194 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,194 - INFO - number of orbitals:  44
-2024-12-09 10:29:17,194 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,195 - INFO - moving on ...
-2024-12-09 10:29:17,195 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:17,195 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:17,195 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:17,195 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,195 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:17,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,196 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,196 - INFO - moving on ...
-2024-12-09 10:29:17,196 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:17,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,198 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,198 - INFO - moving on ...
-2024-12-09 10:29:17,198 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:17,199 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:17,199 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:17,199 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,199 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:17,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,200 - INFO - number of orbitals:  30
-2024-12-09 10:29:17,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,200 - INFO - moving on ...
-2024-12-09 10:29:17,200 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:17,201 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:17,201 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:17,201 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,201 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:17,201 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,201 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,201 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,203 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,203 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,203 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:17,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:17,203 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:17,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,219 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,219 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:17,219 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,219 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,219 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,221 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,221 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,221 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:17,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:17,222 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:17,238 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,238 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,239 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:17,239 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,239 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,239 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,241 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,241 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,241 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:17,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:17,241 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:17,257 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,257 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,257 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:17,257 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,257 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,257 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,259 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,259 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,259 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:17,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:17,259 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:17,275 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,276 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,276 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:17,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,276 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,276 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,278 - INFO - number of orbitals:  33
-2024-12-09 10:29:17,278 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,278 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,278 - INFO - moving on ...
-2024-12-09 10:29:17,278 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:17,278 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,278 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,278 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,280 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,280 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,280 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:17,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:17,280 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:17,297 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,297 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,297 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:17,297 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,297 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,297 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,299 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,299 - INFO - moving on ...
-2024-12-09 10:29:17,299 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:17,299 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,300 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,300 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,301 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,301 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,301 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:17,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:17,301 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:17,317 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,318 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,318 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:17,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,318 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,318 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,320 - INFO - number of orbitals:  42
-2024-12-09 10:29:17,320 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,320 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,320 - INFO - moving on ...
-2024-12-09 10:29:17,320 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:17,320 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:17,320 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:17,320 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,320 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:17,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,322 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,322 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,322 - INFO - moving on ...
-2024-12-09 10:29:17,322 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:17,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,323 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,323 - INFO - moving on ...
-2024-12-09 10:29:17,323 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:17,324 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:17,324 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:17,324 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,324 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:17,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,325 - INFO - number of orbitals:  29
-2024-12-09 10:29:17,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,325 - INFO - moving on ...
-2024-12-09 10:29:17,325 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:17,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,327 - INFO - number of orbitals:  72
-2024-12-09 10:29:17,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,327 - INFO - moving on ...
-2024-12-09 10:29:17,327 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:17,327 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:17,327 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:17,327 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,327 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:17,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,328 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,328 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,329 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:17,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:17,329 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:17,345 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,345 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,345 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:17,345 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:17,345 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:17,345 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,345 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:17,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,347 - INFO - number of orbitals:  48
-2024-12-09 10:29:17,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,347 - INFO - moving on ...
-2024-12-09 10:29:17,347 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:17,347 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:17,347 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:17,347 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,347 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:17,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,348 - INFO - number of orbitals:  48
-2024-12-09 10:29:17,348 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,349 - INFO - moving on ...
-2024-12-09 10:29:17,349 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:17,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,350 - INFO - number of orbitals:  116
-2024-12-09 10:29:17,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,350 - INFO - moving on ...
-2024-12-09 10:29:17,350 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:17,350 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:17,350 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:17,350 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,350 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:17,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,351 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,351 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,351 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:17,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:17,352 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:17,368 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,369 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,369 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:17,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:17,369 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,369 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:17,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,370 - INFO - number of orbitals:  79
-2024-12-09 10:29:17,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,370 - INFO - moving on ...
-2024-12-09 10:29:17,370 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:17,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,371 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,371 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,371 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,371 - INFO - moving on ...
-2024-12-09 10:29:17,372 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:17,372 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:17,372 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:17,372 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,372 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:17,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,372 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,372 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,374 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,374 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:17,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:17,374 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:17,391 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,391 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,391 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:17,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,393 - INFO - number of orbitals:  26
-2024-12-09 10:29:17,394 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,394 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,394 - INFO - moving on ...
-2024-12-09 10:29:17,394 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:17,394 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,396 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,396 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,396 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,396 - INFO - moving on ...
-2024-12-09 10:29:17,396 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:17,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,398 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,398 - INFO - moving on ...
-2024-12-09 10:29:17,398 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:17,399 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,399 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,399 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,401 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,401 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,401 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:17,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:17,401 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:17,418 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,418 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,418 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:17,418 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,418 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,418 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,420 - INFO - number of orbitals:  26
-2024-12-09 10:29:17,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,420 - INFO - moving on ...
-2024-12-09 10:29:17,420 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:17,420 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,422 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,423 - INFO - moving on ...
-2024-12-09 10:29:17,423 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:17,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,424 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,424 - INFO - moving on ...
-2024-12-09 10:29:17,425 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:17,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,426 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,426 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,426 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:17,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:17,427 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:17,442 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,443 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,443 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:17,443 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,443 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,443 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,445 - INFO - number of orbitals:  26
-2024-12-09 10:29:17,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,445 - INFO - moving on ...
-2024-12-09 10:29:17,445 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:17,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,447 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,447 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,447 - INFO - moving on ...
-2024-12-09 10:29:17,447 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:17,447 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,447 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,449 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,449 - INFO - moving on ...
-2024-12-09 10:29:17,449 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:17,449 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:17,449 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:17,449 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,449 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:17,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,450 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,450 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,451 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:17,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:17,451 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:17,466 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,467 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,467 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:17,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:17,467 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,467 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:17,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,468 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,468 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,468 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,468 - INFO - moving on ...
-2024-12-09 10:29:17,468 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:17,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,470 - INFO - number of orbitals:  30
-2024-12-09 10:29:17,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,470 - INFO - moving on ...
-2024-12-09 10:29:17,470 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:17,470 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:17,470 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:17,470 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,470 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:17,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,471 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,471 - INFO - moving on ...
-2024-12-09 10:29:17,471 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:17,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,473 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,473 - INFO - moving on ...
-2024-12-09 10:29:17,473 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:17,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,474 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,474 - INFO - moving on ...
-2024-12-09 10:29:17,474 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:17,474 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:17,474 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:17,474 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,474 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:17,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,476 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,476 - INFO - moving on ...
-2024-12-09 10:29:17,476 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:17,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,477 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,477 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,477 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,477 - INFO - moving on ...
-2024-12-09 10:29:17,477 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:17,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,478 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,478 - INFO - moving on ...
-2024-12-09 10:29:17,478 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:17,479 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:17,479 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:17,479 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,479 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:17,479 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,479 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,479 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,480 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,481 - INFO - moving on ...
-2024-12-09 10:29:17,481 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:17,481 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,481 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,481 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,482 - INFO - number of orbitals:  53
-2024-12-09 10:29:17,483 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,483 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,483 - INFO - moving on ...
-2024-12-09 10:29:17,483 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:17,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,484 - INFO - number of orbitals:  58
-2024-12-09 10:29:17,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,485 - INFO - moving on ...
-2024-12-09 10:29:17,485 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:17,485 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,485 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,485 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,486 - INFO - number of orbitals:  44
-2024-12-09 10:29:17,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,487 - INFO - moving on ...
-2024-12-09 10:29:17,487 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:17,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,488 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,489 - INFO - moving on ...
-2024-12-09 10:29:17,489 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:17,489 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,489 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,489 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,490 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,490 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,490 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,490 - INFO - moving on ...
-2024-12-09 10:29:17,491 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:17,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,492 - INFO - number of orbitals:  44
-2024-12-09 10:29:17,492 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,492 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,492 - INFO - moving on ...
-2024-12-09 10:29:17,492 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:17,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,492 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,493 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,494 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,494 - INFO - moving on ...
-2024-12-09 10:29:17,494 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:17,494 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,494 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,494 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,496 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,496 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,496 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,496 - INFO - moving on ...
-2024-12-09 10:29:17,496 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:17,496 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:17,496 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:17,496 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,496 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:17,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,498 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,498 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,498 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,498 - INFO - moving on ...
-2024-12-09 10:29:17,498 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:17,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,499 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,499 - INFO - moving on ...
-2024-12-09 10:29:17,499 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:17,499 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:17,499 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:17,499 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,499 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:17,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,501 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,501 - INFO - moving on ...
-2024-12-09 10:29:17,501 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:17,501 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:17,501 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:17,501 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,501 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:17,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,502 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,502 - INFO - moving on ...
-2024-12-09 10:29:17,502 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:17,502 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:17,502 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:17,502 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,502 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:17,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,504 - INFO - number of orbitals:  33
-2024-12-09 10:29:17,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,504 - INFO - moving on ...
-2024-12-09 10:29:17,504 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:17,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,505 - INFO - number of orbitals:  74
-2024-12-09 10:29:17,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,505 - INFO - moving on ...
-2024-12-09 10:29:17,505 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:17,505 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:17,505 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:17,505 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,505 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:17,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,507 - INFO - number of orbitals:  38
-2024-12-09 10:29:17,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,507 - INFO - moving on ...
-2024-12-09 10:29:17,507 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:17,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,508 - INFO - number of orbitals:  90
-2024-12-09 10:29:17,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,508 - INFO - moving on ...
-2024-12-09 10:29:17,508 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:17,508 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:17,508 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:17,508 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,508 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:17,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,510 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,510 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,510 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,510 - INFO - moving on ...
-2024-12-09 10:29:17,510 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:17,510 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:17,510 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:17,510 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,510 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:17,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,511 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,511 - INFO - moving on ...
-2024-12-09 10:29:17,511 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:17,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,512 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,513 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,513 - INFO - moving on ...
-2024-12-09 10:29:17,513 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:17,513 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:17,513 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:17,513 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,513 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:17,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,514 - INFO - number of orbitals:  47
-2024-12-09 10:29:17,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,514 - INFO - moving on ...
-2024-12-09 10:29:17,514 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:17,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,515 - INFO - number of orbitals:  106
-2024-12-09 10:29:17,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,515 - INFO - moving on ...
-2024-12-09 10:29:17,515 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:17,516 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:17,516 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:17,516 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,516 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:17,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,517 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,517 - INFO - moving on ...
-2024-12-09 10:29:17,517 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:17,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,518 - INFO - number of orbitals:  118
-2024-12-09 10:29:17,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,518 - INFO - moving on ...
-2024-12-09 10:29:17,518 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:17,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,520 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,520 - INFO - moving on ...
-2024-12-09 10:29:17,520 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:17,520 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:17,520 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:17,520 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,520 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:17,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,521 - INFO - number of orbitals:  32
-2024-12-09 10:29:17,521 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,521 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,522 - INFO - moving on ...
-2024-12-09 10:29:17,522 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:17,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,523 - INFO - number of orbitals:  114
-2024-12-09 10:29:17,523 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,523 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,523 - INFO - moving on ...
-2024-12-09 10:29:17,523 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:17,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,524 - INFO - number of orbitals:  64
-2024-12-09 10:29:17,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,524 - INFO - moving on ...
-2024-12-09 10:29:17,524 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:17,524 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:17,524 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:17,524 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,524 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:17,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,526 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,526 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:17,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:17,526 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:17,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,543 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,543 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:17,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:17,543 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,543 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:17,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,544 - INFO - number of orbitals:  115
-2024-12-09 10:29:17,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,545 - INFO - moving on ...
-2024-12-09 10:29:17,545 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:17,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,546 - INFO - number of orbitals:  58
-2024-12-09 10:29:17,546 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,546 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,546 - INFO - moving on ...
-2024-12-09 10:29:17,546 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:17,546 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:17,546 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:17,546 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,546 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:17,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,547 - INFO - number of orbitals:  37
-2024-12-09 10:29:17,548 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,548 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,548 - INFO - moving on ...
-2024-12-09 10:29:17,548 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:17,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,549 - INFO - number of orbitals:  78
-2024-12-09 10:29:17,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,549 - INFO - moving on ...
-2024-12-09 10:29:17,549 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:17,549 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:17,549 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:17,549 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,549 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:17,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,550 - INFO - number of orbitals:  58
-2024-12-09 10:29:17,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,551 - INFO - moving on ...
-2024-12-09 10:29:17,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:17,551 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:17,551 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:17,551 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,551 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:17,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,552 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,552 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,552 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:17,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:17,552 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:17,568 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,569 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,569 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:17,569 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:17,569 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:17,569 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,569 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:17,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,570 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,571 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,571 - INFO - moving on ...
-2024-12-09 10:29:17,571 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:17,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,572 - INFO - number of orbitals:  86
-2024-12-09 10:29:17,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,572 - INFO - moving on ...
-2024-12-09 10:29:17,572 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:17,572 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:17,572 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:17,572 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,572 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:17,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,573 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,574 - INFO - moving on ...
-2024-12-09 10:29:17,574 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:17,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,575 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,575 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,575 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,575 - INFO - moving on ...
-2024-12-09 10:29:17,575 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:17,575 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:17,575 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:17,575 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,575 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:17,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,576 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,577 - INFO - moving on ...
-2024-12-09 10:29:17,577 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:17,577 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:17,577 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:17,577 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,577 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:17,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,578 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,578 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,578 - INFO - moving on ...
-2024-12-09 10:29:17,578 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:17,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,579 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,579 - INFO - moving on ...
-2024-12-09 10:29:17,580 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:17,580 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:17,580 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:17,580 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,580 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:17,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,581 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,581 - INFO - moving on ...
-2024-12-09 10:29:17,581 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:17,581 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:17,581 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:17,581 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,581 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:17,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,582 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,583 - INFO - moving on ...
-2024-12-09 10:29:17,583 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:17,583 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:17,583 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:17,583 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,583 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:17,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,584 - INFO - number of orbitals:  48
-2024-12-09 10:29:17,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,584 - INFO - moving on ...
-2024-12-09 10:29:17,584 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:17,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,585 - INFO - number of orbitals:  116
-2024-12-09 10:29:17,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,585 - INFO - moving on ...
-2024-12-09 10:29:17,585 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:17,586 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:17,586 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:17,586 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,586 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:17,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,587 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,587 - INFO - moving on ...
-2024-12-09 10:29:17,587 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:17,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,588 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,588 - INFO - moving on ...
-2024-12-09 10:29:17,589 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:17,589 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:17,589 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:17,589 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,589 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:17,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,590 - INFO - number of orbitals:  38
-2024-12-09 10:29:17,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,590 - INFO - moving on ...
-2024-12-09 10:29:17,590 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:17,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,591 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,591 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,591 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,591 - INFO - moving on ...
-2024-12-09 10:29:17,591 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:17,591 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:17,592 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:17,592 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,592 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:17,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,593 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,593 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,593 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,593 - INFO - moving on ...
-2024-12-09 10:29:17,593 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:17,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,594 - INFO - number of orbitals:  110
-2024-12-09 10:29:17,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,594 - INFO - moving on ...
-2024-12-09 10:29:17,594 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:17,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,595 - INFO - number of orbitals:  60
-2024-12-09 10:29:17,595 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,595 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,596 - INFO - moving on ...
-2024-12-09 10:29:17,596 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:17,596 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:17,596 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:17,596 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,596 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:17,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,597 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,597 - INFO - moving on ...
-2024-12-09 10:29:17,597 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:17,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,598 - INFO - number of orbitals:  135
-2024-12-09 10:29:17,598 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,598 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,598 - INFO - moving on ...
-2024-12-09 10:29:17,598 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:17,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,600 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,600 - INFO - moving on ...
-2024-12-09 10:29:17,600 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:17,600 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:17,600 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:17,600 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,600 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:17,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,601 - INFO - number of orbitals:  28
-2024-12-09 10:29:17,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,601 - INFO - moving on ...
-2024-12-09 10:29:17,601 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:17,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,603 - INFO - number of orbitals:  119
-2024-12-09 10:29:17,603 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,603 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,603 - INFO - moving on ...
-2024-12-09 10:29:17,603 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:17,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,604 - INFO - number of orbitals:  62
-2024-12-09 10:29:17,604 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,604 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,604 - INFO - moving on ...
-2024-12-09 10:29:17,604 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:17,604 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:17,604 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:17,604 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,604 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:17,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,606 - INFO - number of orbitals:  32
-2024-12-09 10:29:17,606 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,606 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,606 - INFO - moving on ...
-2024-12-09 10:29:17,606 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:17,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,607 - INFO - number of orbitals:  64
-2024-12-09 10:29:17,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,607 - INFO - moving on ...
-2024-12-09 10:29:17,607 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:17,607 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:17,607 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:17,607 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,607 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:17,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,608 - INFO - number of orbitals:  52
-2024-12-09 10:29:17,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,608 - INFO - moving on ...
-2024-12-09 10:29:17,609 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:17,609 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:17,609 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:17,609 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,609 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:17,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,610 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,610 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,610 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:17,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:17,610 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:17,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,626 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,626 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:17,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:17,626 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,626 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:17,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,628 - INFO - number of orbitals:  89
-2024-12-09 10:29:17,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,628 - INFO - moving on ...
-2024-12-09 10:29:17,628 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:17,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,629 - INFO - number of orbitals:  48
-2024-12-09 10:29:17,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,629 - INFO - moving on ...
-2024-12-09 10:29:17,629 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:17,629 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:17,629 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:17,629 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,629 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:17,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,630 - INFO - number of orbitals:  46
-2024-12-09 10:29:17,630 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,631 - INFO - moving on ...
-2024-12-09 10:29:17,631 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:17,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,632 - INFO - number of orbitals:  94
-2024-12-09 10:29:17,632 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,632 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,632 - INFO - moving on ...
-2024-12-09 10:29:17,632 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:17,632 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:17,632 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:17,632 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,632 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:17,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,633 - INFO - number of orbitals:  70
-2024-12-09 10:29:17,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,633 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,633 - INFO - moving on ...
-2024-12-09 10:29:17,633 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:17,634 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:17,634 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:17,634 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,634 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:17,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,635 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:17,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:17,635 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:17,650 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,651 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,651 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:17,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:17,651 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,651 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:17,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,652 - INFO - number of orbitals:  79
-2024-12-09 10:29:17,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,652 - INFO - moving on ...
-2024-12-09 10:29:17,652 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:17,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,653 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,653 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,654 - INFO - moving on ...
-2024-12-09 10:29:17,654 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:17,654 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:17,654 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:17,654 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,654 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:17,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,656 - INFO - number of orbitals:  42
-2024-12-09 10:29:17,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,656 - INFO - moving on ...
-2024-12-09 10:29:17,656 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:17,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,658 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,658 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,658 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:17,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:17,658 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:17,674 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,674 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,674 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:17,674 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,674 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,674 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,676 - INFO - number of orbitals:  90
-2024-12-09 10:29:17,676 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,676 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,676 - INFO - moving on ...
-2024-12-09 10:29:17,676 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:17,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,678 - INFO - number of orbitals:  42
-2024-12-09 10:29:17,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,678 - INFO - moving on ...
-2024-12-09 10:29:17,678 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:17,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,678 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,678 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,680 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,680 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,680 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:17,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:17,680 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:17,695 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,696 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,696 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:17,696 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,696 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,696 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,698 - INFO - number of orbitals:  90
-2024-12-09 10:29:17,698 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,698 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,698 - INFO - moving on ...
-2024-12-09 10:29:17,698 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:17,698 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:17,698 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:17,698 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,698 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:17,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,699 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,699 - INFO - number of supporting files: 2
-2024-12-09 10:29:17,699 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:17,699 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:17,699 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:17,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,715 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,715 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:17,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:17,715 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:17,715 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:17,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,716 - INFO - number of orbitals:  115
-2024-12-09 10:29:17,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,716 - INFO - moving on ...
-2024-12-09 10:29:17,716 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:17,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,718 - INFO - number of orbitals:  58
-2024-12-09 10:29:17,718 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,718 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,718 - INFO - moving on ...
-2024-12-09 10:29:17,718 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:17,718 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:17,718 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:17,718 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,718 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:17,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,719 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,719 - INFO - moving on ...
-2024-12-09 10:29:17,719 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:17,720 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:17,720 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:17,720 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,720 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:17,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,721 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,721 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,721 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:17,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:17,721 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:17,737 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,737 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,737 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:17,737 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:17,737 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:17,738 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,738 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:17,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,738 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,738 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,740 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,740 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,740 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:17,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:17,740 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:17,755 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,756 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,756 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:17,756 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,756 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,756 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,758 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,758 - INFO - moving on ...
-2024-12-09 10:29:17,758 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:17,758 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,758 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,758 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,760 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,760 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,760 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:17,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:17,760 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:17,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,776 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,776 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:17,776 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,777 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,777 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,778 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,779 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,779 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,779 - INFO - moving on ...
-2024-12-09 10:29:17,779 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:17,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,780 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,780 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,780 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:17,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:17,781 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:17,796 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,796 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,797 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:17,797 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,797 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,797 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,799 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,799 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,799 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,799 - INFO - moving on ...
-2024-12-09 10:29:17,799 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:17,799 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:17,799 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:17,799 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,799 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:17,799 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,799 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,799 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,801 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,801 - INFO - moving on ...
-2024-12-09 10:29:17,801 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:17,801 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,801 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,801 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,803 - INFO - number of orbitals:  70
-2024-12-09 10:29:17,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,803 - INFO - moving on ...
-2024-12-09 10:29:17,803 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:17,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,805 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,805 - INFO - moving on ...
-2024-12-09 10:29:17,805 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:17,805 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:17,805 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:17,805 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,805 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:17,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,806 - INFO - number of orbitals:  76
-2024-12-09 10:29:17,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,806 - INFO - moving on ...
-2024-12-09 10:29:17,806 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:17,807 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:17,807 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:17,807 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,807 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:17,807 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,807 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,807 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,808 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,809 - INFO - moving on ...
-2024-12-09 10:29:17,809 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:17,809 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,809 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,809 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,810 - INFO - number of orbitals:  70
-2024-12-09 10:29:17,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,810 - INFO - moving on ...
-2024-12-09 10:29:17,811 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:17,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,812 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,812 - INFO - moving on ...
-2024-12-09 10:29:17,812 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:17,812 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,813 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,813 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,814 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,814 - INFO - moving on ...
-2024-12-09 10:29:17,814 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:17,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,816 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,816 - INFO - moving on ...
-2024-12-09 10:29:17,816 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:17,816 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,816 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,816 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,818 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,818 - INFO - moving on ...
-2024-12-09 10:29:17,818 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:17,818 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,818 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,818 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,820 - INFO - number of orbitals:  55
-2024-12-09 10:29:17,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,820 - INFO - moving on ...
-2024-12-09 10:29:17,820 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:17,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,820 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,822 - INFO - number of orbitals:  69
-2024-12-09 10:29:17,822 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,822 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,822 - INFO - moving on ...
-2024-12-09 10:29:17,822 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:17,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,824 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,824 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,824 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,824 - INFO - moving on ...
-2024-12-09 10:29:17,824 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:17,824 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,824 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,824 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,826 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,826 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,826 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,826 - INFO - moving on ...
-2024-12-09 10:29:17,826 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:17,826 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,828 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,828 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,828 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,828 - INFO - moving on ...
-2024-12-09 10:29:17,828 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:17,828 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,828 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,828 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,830 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,830 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,830 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,830 - INFO - moving on ...
-2024-12-09 10:29:17,830 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:17,830 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,830 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,830 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,832 - INFO - number of orbitals:  31
-2024-12-09 10:29:17,832 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,832 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,832 - INFO - moving on ...
-2024-12-09 10:29:17,832 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:17,832 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,832 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,832 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,833 - INFO - number of orbitals:  45
-2024-12-09 10:29:17,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,834 - INFO - moving on ...
-2024-12-09 10:29:17,834 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:17,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,835 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,835 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:17,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:17,836 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:17,851 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,852 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,852 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:17,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,852 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,854 - INFO - number of orbitals:  39
-2024-12-09 10:29:17,854 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,854 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,854 - INFO - moving on ...
-2024-12-09 10:29:17,854 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:17,854 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:17,854 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:17,854 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,854 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:17,855 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,855 - INFO - number of orbitals:  42
-2024-12-09 10:29:17,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,856 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,856 - INFO - moving on ...
-2024-12-09 10:29:17,856 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:17,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,857 - INFO - number of orbitals:  90
-2024-12-09 10:29:17,857 - INFO - too many orbitals!  we are only considering max_num_orbitals 25.
-2024-12-09 10:29:17,857 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,857 - INFO - moving on ...
-2024-12-09 10:29:17,857 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:17,857 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:17,857 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:17,857 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,857 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:17,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,858 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,858 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,858 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,858 - INFO - moving on ...
-2024-12-09 10:29:17,858 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:17,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,860 - INFO - number of orbitals:  118
-2024-12-09 10:29:17,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,860 - INFO - moving on ...
-2024-12-09 10:29:17,860 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:17,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,861 - INFO - number of orbitals:  68
-2024-12-09 10:29:17,861 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,861 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,861 - INFO - moving on ...
-2024-12-09 10:29:17,861 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:17,861 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:17,861 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:17,861 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,861 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:17,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,862 - INFO - number of orbitals:  54
-2024-12-09 10:29:17,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,863 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,863 - INFO - moving on ...
-2024-12-09 10:29:17,863 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:17,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,864 - INFO - number of orbitals:  88
-2024-12-09 10:29:17,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,864 - INFO - moving on ...
-2024-12-09 10:29:17,864 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:17,864 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:17,864 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:17,864 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,864 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:17,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,865 - INFO - number of orbitals:  66
-2024-12-09 10:29:17,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,865 - INFO - moving on ...
-2024-12-09 10:29:17,866 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:17,866 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:17,866 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:17,866 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,866 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:17,866 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,866 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,866 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,868 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,868 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:17,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:17,868 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:17,883 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,884 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,884 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:17,884 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,884 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,884 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,886 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,886 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,886 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:17,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:17,886 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:17,901 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,902 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,902 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:17,902 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,904 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,904 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,904 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,904 - INFO - moving on ...
-2024-12-09 10:29:17,904 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:17,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,905 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,906 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,906 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,906 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,906 - INFO - moving on ...
-2024-12-09 10:29:17,906 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:17,906 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,906 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,906 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,908 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,908 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,908 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:17,908 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:17,908 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:17,923 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,923 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,924 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:17,924 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,924 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,924 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,926 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,926 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,926 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:17,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:17,926 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:17,942 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,942 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,942 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:17,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,942 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,944 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,944 - INFO - moving on ...
-2024-12-09 10:29:17,944 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:17,944 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,945 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,945 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,946 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,946 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,946 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,946 - INFO - moving on ...
-2024-12-09 10:29:17,946 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:17,946 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,947 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,948 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,948 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,948 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:17,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:17,948 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:17,963 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,964 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,964 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:17,964 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,964 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,964 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,966 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,966 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:17,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:17,966 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:17,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:17,982 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:17,982 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:17,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,984 - INFO - number of orbitals:  34
-2024-12-09 10:29:17,984 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,984 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,984 - INFO - moving on ...
-2024-12-09 10:29:17,984 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:17,984 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,984 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,984 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,986 - INFO - number of orbitals:  36
-2024-12-09 10:29:17,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:17,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:17,986 - INFO - moving on ...
-2024-12-09 10:29:17,986 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:17,986 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:17,986 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:17,986 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:17,986 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:17,986 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:17,987 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:17,987 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:17,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:17,988 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:17,988 - INFO - number of supporting files: 1
-2024-12-09 10:29:17,988 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:17,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:17,988 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:18,004 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,004 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,005 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:18,005 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,005 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,005 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,007 - INFO - number of orbitals:  108
-2024-12-09 10:29:18,007 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,007 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,007 - INFO - moving on ...
-2024-12-09 10:29:18,007 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:18,007 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:18,007 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:18,007 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,007 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:18,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,008 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,008 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,008 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,008 - INFO - moving on ...
-2024-12-09 10:29:18,009 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:18,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,010 - INFO - number of orbitals:  135
-2024-12-09 10:29:18,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,010 - INFO - moving on ...
-2024-12-09 10:29:18,010 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:18,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,011 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,011 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,011 - INFO - moving on ...
-2024-12-09 10:29:18,011 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:18,012 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:18,012 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:18,012 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,012 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:18,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,013 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,013 - INFO - moving on ...
-2024-12-09 10:29:18,013 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:18,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,014 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,014 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,014 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,014 - INFO - moving on ...
-2024-12-09 10:29:18,014 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:18,014 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:18,014 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:18,014 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,015 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:18,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,016 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,016 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,016 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,016 - INFO - moving on ...
-2024-12-09 10:29:18,016 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:18,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,017 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,017 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,017 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,017 - INFO - moving on ...
-2024-12-09 10:29:18,017 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:18,017 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:18,017 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:18,017 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,017 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:18,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,019 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,019 - INFO - moving on ...
-2024-12-09 10:29:18,019 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:18,019 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:18,019 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:18,019 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,019 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:18,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,020 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,020 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,020 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,020 - INFO - moving on ...
-2024-12-09 10:29:18,020 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:18,020 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:18,020 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:18,020 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,020 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:18,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,022 - INFO - number of orbitals:  36
-2024-12-09 10:29:18,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,022 - INFO - moving on ...
-2024-12-09 10:29:18,022 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:18,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,023 - INFO - number of orbitals:  118
-2024-12-09 10:29:18,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,023 - INFO - moving on ...
-2024-12-09 10:29:18,023 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:18,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,024 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,024 - INFO - moving on ...
-2024-12-09 10:29:18,024 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:18,025 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:18,025 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:18,025 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,025 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:18,025 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,027 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,027 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:18,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:18,027 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:18,042 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,043 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,043 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:18,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,043 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,043 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,045 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,046 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:18,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:18,046 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:18,061 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,062 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,062 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:18,062 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,062 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,062 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,064 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,064 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:18,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:18,064 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:18,078 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,079 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,079 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:18,079 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,079 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,079 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,081 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,081 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,081 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,081 - INFO - moving on ...
-2024-12-09 10:29:18,081 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:18,081 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,081 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,081 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,083 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,083 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,083 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:18,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:18,083 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:18,097 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,098 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,098 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:18,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,100 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,100 - INFO - moving on ...
-2024-12-09 10:29:18,100 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:18,100 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,100 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,100 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,102 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,102 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:18,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:18,102 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:18,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,118 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,118 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:18,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,120 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,120 - INFO - moving on ...
-2024-12-09 10:29:18,120 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:18,120 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:18,120 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:18,120 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,120 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:18,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,121 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,121 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,122 - INFO - moving on ...
-2024-12-09 10:29:18,122 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:18,122 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:18,122 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:18,122 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,122 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:18,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,123 - INFO - number of orbitals:  33
-2024-12-09 10:29:18,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,123 - INFO - moving on ...
-2024-12-09 10:29:18,123 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:18,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,124 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,124 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,124 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,124 - INFO - moving on ...
-2024-12-09 10:29:18,124 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:18,125 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:18,125 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:18,125 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,125 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:18,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,126 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,126 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,126 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:18,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:18,126 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:18,141 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,142 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,142 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:18,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:18,142 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,142 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:18,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,143 - INFO - number of orbitals:  119
-2024-12-09 10:29:18,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,144 - INFO - moving on ...
-2024-12-09 10:29:18,144 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:18,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,145 - INFO - number of orbitals:  62
-2024-12-09 10:29:18,145 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,145 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,145 - INFO - moving on ...
-2024-12-09 10:29:18,145 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:18,145 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:18,145 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:18,145 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,145 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:18,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,146 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,146 - INFO - moving on ...
-2024-12-09 10:29:18,146 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:18,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,147 - INFO - number of orbitals:  135
-2024-12-09 10:29:18,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,147 - INFO - moving on ...
-2024-12-09 10:29:18,148 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:18,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,149 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,149 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,149 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,149 - INFO - moving on ...
-2024-12-09 10:29:18,149 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:18,149 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:18,149 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:18,149 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,149 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:18,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,150 - INFO - number of orbitals:  36
-2024-12-09 10:29:18,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,150 - INFO - moving on ...
-2024-12-09 10:29:18,150 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:18,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,151 - INFO - number of orbitals:  118
-2024-12-09 10:29:18,151 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,151 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,151 - INFO - moving on ...
-2024-12-09 10:29:18,152 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:18,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,153 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,153 - INFO - moving on ...
-2024-12-09 10:29:18,153 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:18,153 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:18,153 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:18,153 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,153 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:18,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,154 - INFO - number of orbitals:  38
-2024-12-09 10:29:18,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,154 - INFO - moving on ...
-2024-12-09 10:29:18,154 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:18,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,155 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,156 - INFO - moving on ...
-2024-12-09 10:29:18,156 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:18,156 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:18,156 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:18,156 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,156 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:18,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,157 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,157 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,157 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:18,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:18,157 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:18,173 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,173 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,174 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:18,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:18,174 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,174 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:18,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,175 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,175 - INFO - moving on ...
-2024-12-09 10:29:18,175 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:18,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,176 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,176 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,177 - INFO - moving on ...
-2024-12-09 10:29:18,177 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:18,177 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:18,177 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:18,177 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,177 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:18,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,178 - INFO - number of orbitals:  38
-2024-12-09 10:29:18,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,178 - INFO - moving on ...
-2024-12-09 10:29:18,178 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:18,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,179 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,180 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,180 - INFO - moving on ...
-2024-12-09 10:29:18,180 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:18,180 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:18,180 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:18,180 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,180 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:18,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,181 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,181 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,181 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,181 - INFO - moving on ...
-2024-12-09 10:29:18,181 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:18,181 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:18,181 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:18,181 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,181 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:18,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,183 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,183 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,183 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,183 - INFO - moving on ...
-2024-12-09 10:29:18,183 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:18,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,184 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,184 - INFO - moving on ...
-2024-12-09 10:29:18,184 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:18,184 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:18,184 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:18,184 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,184 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:18,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,185 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,186 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,186 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:18,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:18,186 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:18,202 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,202 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,202 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:18,203 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:18,203 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:18,203 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,203 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:18,203 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,203 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,203 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,205 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,205 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,205 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,205 - INFO - moving on ...
-2024-12-09 10:29:18,205 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:18,205 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,205 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,207 - INFO - number of orbitals:  46
-2024-12-09 10:29:18,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,207 - INFO - moving on ...
-2024-12-09 10:29:18,207 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:18,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,207 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,207 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,209 - INFO - number of orbitals:  46
-2024-12-09 10:29:18,209 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,209 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,209 - INFO - moving on ...
-2024-12-09 10:29:18,209 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:18,209 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,209 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,209 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,211 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,211 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,211 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:18,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:18,211 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:18,227 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,228 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,228 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:18,228 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:18,228 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:18,228 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,228 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:18,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,229 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,230 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,230 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:18,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:18,230 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:18,246 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,246 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,246 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:18,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:18,246 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,247 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:18,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,248 - INFO - number of orbitals:  85
-2024-12-09 10:29:18,248 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,248 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,248 - INFO - moving on ...
-2024-12-09 10:29:18,248 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:18,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,250 - INFO - number of orbitals:  44
-2024-12-09 10:29:18,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,250 - INFO - moving on ...
-2024-12-09 10:29:18,250 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:18,250 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:18,250 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:18,250 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,250 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:18,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,251 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,251 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,251 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:18,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:18,251 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:18,267 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,267 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,267 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:18,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:18,267 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,268 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:18,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,269 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,269 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,269 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,269 - INFO - moving on ...
-2024-12-09 10:29:18,269 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:18,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,270 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,270 - INFO - moving on ...
-2024-12-09 10:29:18,270 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:18,271 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:18,271 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:18,271 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,271 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:18,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,272 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,272 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:18,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:18,272 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:18,288 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,288 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,288 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:18,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:18,289 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,289 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:18,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,290 - INFO - number of orbitals:  85
-2024-12-09 10:29:18,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,290 - INFO - moving on ...
-2024-12-09 10:29:18,290 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:18,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,292 - INFO - number of orbitals:  44
-2024-12-09 10:29:18,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,292 - INFO - moving on ...
-2024-12-09 10:29:18,292 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:18,292 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:18,292 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:18,292 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,292 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:18,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,293 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,293 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,293 - INFO - moving on ...
-2024-12-09 10:29:18,293 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:18,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,295 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,295 - INFO - moving on ...
-2024-12-09 10:29:18,295 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:18,295 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:18,295 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:18,295 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,295 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:18,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,296 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,296 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:18,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:18,296 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:18,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,313 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,313 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:18,314 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:18,314 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:18,314 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,314 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:18,314 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,314 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,314 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,316 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,316 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:18,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:18,316 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:18,332 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,332 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,332 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:18,332 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,333 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,333 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,334 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,335 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,335 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:18,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:18,335 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:18,351 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,351 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,352 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:18,352 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,352 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,352 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,354 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,354 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,354 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:18,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:18,354 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:18,370 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,370 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,370 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:18,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,372 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,372 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,372 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:18,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:18,372 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:18,388 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,388 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,389 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:18,389 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,389 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,389 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,391 - INFO - number of orbitals:  33
-2024-12-09 10:29:18,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,391 - INFO - moving on ...
-2024-12-09 10:29:18,391 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:18,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,393 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,393 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,393 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:18,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:18,393 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:18,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,409 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,409 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:18,409 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,409 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,409 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,411 - INFO - number of orbitals:  45
-2024-12-09 10:29:18,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,411 - INFO - moving on ...
-2024-12-09 10:29:18,411 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:18,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,413 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,413 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:18,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:18,414 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:18,429 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,429 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,430 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:18,430 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,430 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,430 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,432 - INFO - number of orbitals:  42
-2024-12-09 10:29:18,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,432 - INFO - moving on ...
-2024-12-09 10:29:18,432 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:18,432 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:18,432 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:18,432 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,432 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:18,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,433 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,433 - INFO - moving on ...
-2024-12-09 10:29:18,433 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:18,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,435 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,435 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,435 - INFO - moving on ...
-2024-12-09 10:29:18,435 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:18,435 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:18,435 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:18,435 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,435 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:18,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,436 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,436 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,436 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:18,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:18,436 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:18,455 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,455 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,456 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:18,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:18,456 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,456 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:18,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,458 - INFO - number of orbitals:  72
-2024-12-09 10:29:18,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,458 - INFO - moving on ...
-2024-12-09 10:29:18,458 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:18,458 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:18,458 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:18,458 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,458 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:18,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,460 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,460 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,460 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:18,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:18,460 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:18,476 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,477 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,477 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:18,477 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:18,477 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:18,477 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,477 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:18,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,479 - INFO - number of orbitals:  48
-2024-12-09 10:29:18,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,479 - INFO - moving on ...
-2024-12-09 10:29:18,479 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:18,479 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:18,479 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:18,479 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,479 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:18,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,480 - INFO - number of orbitals:  48
-2024-12-09 10:29:18,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,480 - INFO - moving on ...
-2024-12-09 10:29:18,480 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:18,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,481 - INFO - number of orbitals:  116
-2024-12-09 10:29:18,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,482 - INFO - moving on ...
-2024-12-09 10:29:18,482 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:18,482 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:18,482 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:18,482 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,482 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:18,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,483 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,483 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,483 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:18,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:18,483 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:18,499 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,500 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,500 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:18,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:18,500 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,500 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:18,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,501 - INFO - number of orbitals:  79
-2024-12-09 10:29:18,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,501 - INFO - moving on ...
-2024-12-09 10:29:18,501 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:18,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,503 - INFO - number of orbitals:  45
-2024-12-09 10:29:18,503 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,503 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,503 - INFO - moving on ...
-2024-12-09 10:29:18,503 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:18,503 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:18,503 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:18,503 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,503 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:18,503 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,503 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,503 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,505 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,505 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,505 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:18,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:18,505 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:18,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,522 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,522 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:18,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,524 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,524 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,524 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:18,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:18,524 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:18,540 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,540 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,540 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:18,540 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,542 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,543 - INFO - moving on ...
-2024-12-09 10:29:18,543 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:18,543 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,543 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,543 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,544 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,544 - INFO - moving on ...
-2024-12-09 10:29:18,544 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:18,545 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,546 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,546 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:18,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:18,547 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:18,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,563 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,563 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:18,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,563 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,563 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,565 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,565 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:18,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:18,565 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:18,580 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,581 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,581 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:18,581 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,581 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,581 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,583 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,583 - INFO - moving on ...
-2024-12-09 10:29:18,583 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:18,583 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,583 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,583 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,585 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,585 - INFO - moving on ...
-2024-12-09 10:29:18,585 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:18,585 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,585 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,585 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,587 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,587 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,587 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:18,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:18,587 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:18,603 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,603 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,603 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:18,603 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,605 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,605 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,605 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:18,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:18,605 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:18,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,622 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,622 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:18,622 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,624 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,624 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,624 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,624 - INFO - moving on ...
-2024-12-09 10:29:18,624 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:18,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,626 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,626 - INFO - moving on ...
-2024-12-09 10:29:18,626 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:18,626 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:18,626 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:18,626 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,626 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:18,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,628 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,628 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:18,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:18,628 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:18,643 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,644 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,644 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:18,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:18,644 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,644 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:18,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,645 - INFO - number of orbitals:  55
-2024-12-09 10:29:18,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,645 - INFO - moving on ...
-2024-12-09 10:29:18,645 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:18,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,647 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,647 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,647 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:18,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:18,647 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:18,663 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,664 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,664 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:18,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:18,664 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,664 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:18,664 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:18,664 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:18,665 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,665 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:18,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,666 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,666 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:18,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:18,666 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:18,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,683 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,683 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:18,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:18,683 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,683 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:18,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,684 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,684 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,684 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,684 - INFO - moving on ...
-2024-12-09 10:29:18,685 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:18,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,686 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,686 - INFO - moving on ...
-2024-12-09 10:29:18,686 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:18,686 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:18,686 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:18,686 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,686 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:18,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,687 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,688 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,688 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:18,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:18,688 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:18,704 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,704 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,704 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:18,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:18,704 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,704 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:18,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,706 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,706 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,706 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,706 - INFO - moving on ...
-2024-12-09 10:29:18,706 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:18,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,707 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,707 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,707 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,707 - INFO - moving on ...
-2024-12-09 10:29:18,707 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:18,707 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:18,707 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:18,707 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,707 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:18,708 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,709 - INFO - number of orbitals:  45
-2024-12-09 10:29:18,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,710 - INFO - moving on ...
-2024-12-09 10:29:18,710 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:18,710 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,710 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,710 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,711 - INFO - number of orbitals:  53
-2024-12-09 10:29:18,711 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,711 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,711 - INFO - moving on ...
-2024-12-09 10:29:18,711 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:18,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,713 - INFO - number of orbitals:  58
-2024-12-09 10:29:18,713 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,713 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,713 - INFO - moving on ...
-2024-12-09 10:29:18,713 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:18,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,713 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,713 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,715 - INFO - number of orbitals:  44
-2024-12-09 10:29:18,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,715 - INFO - moving on ...
-2024-12-09 10:29:18,715 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:18,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,717 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,717 - INFO - moving on ...
-2024-12-09 10:29:18,717 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:18,717 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,717 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,717 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,719 - INFO - number of orbitals:  55
-2024-12-09 10:29:18,719 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,719 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,719 - INFO - moving on ...
-2024-12-09 10:29:18,719 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:18,719 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,719 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,719 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,721 - INFO - number of orbitals:  44
-2024-12-09 10:29:18,721 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,721 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,721 - INFO - moving on ...
-2024-12-09 10:29:18,721 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:18,721 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,721 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,721 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,722 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,723 - INFO - moving on ...
-2024-12-09 10:29:18,723 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:18,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,724 - INFO - number of orbitals:  55
-2024-12-09 10:29:18,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,725 - INFO - moving on ...
-2024-12-09 10:29:18,725 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:18,725 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:18,725 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:18,725 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,725 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:18,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,726 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,726 - INFO - moving on ...
-2024-12-09 10:29:18,726 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:18,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,727 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,727 - INFO - moving on ...
-2024-12-09 10:29:18,727 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:18,728 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:18,728 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:18,728 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,728 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:18,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,729 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,729 - INFO - moving on ...
-2024-12-09 10:29:18,729 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:18,729 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:18,729 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:18,729 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,729 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:18,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,730 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,730 - INFO - moving on ...
-2024-12-09 10:29:18,730 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:18,731 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:18,731 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:18,731 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,731 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:18,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,732 - INFO - number of orbitals:  33
-2024-12-09 10:29:18,732 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,732 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,732 - INFO - moving on ...
-2024-12-09 10:29:18,732 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:18,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,734 - INFO - number of orbitals:  74
-2024-12-09 10:29:18,734 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,734 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,734 - INFO - moving on ...
-2024-12-09 10:29:18,734 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:18,734 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:18,734 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:18,734 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,734 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:18,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,735 - INFO - number of orbitals:  38
-2024-12-09 10:29:18,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,735 - INFO - moving on ...
-2024-12-09 10:29:18,735 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:18,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,737 - INFO - number of orbitals:  90
-2024-12-09 10:29:18,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,737 - INFO - moving on ...
-2024-12-09 10:29:18,737 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:18,737 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:18,737 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:18,737 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,737 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:18,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,738 - INFO - number of orbitals:  69
-2024-12-09 10:29:18,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,738 - INFO - moving on ...
-2024-12-09 10:29:18,738 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:18,739 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:18,739 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:18,739 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,739 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:18,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,740 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,740 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,740 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,740 - INFO - moving on ...
-2024-12-09 10:29:18,740 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:18,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,741 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,741 - INFO - moving on ...
-2024-12-09 10:29:18,741 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:18,741 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:18,741 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:18,741 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,741 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:18,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,743 - INFO - number of orbitals:  47
-2024-12-09 10:29:18,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,743 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,743 - INFO - moving on ...
-2024-12-09 10:29:18,743 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:18,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,744 - INFO - number of orbitals:  106
-2024-12-09 10:29:18,744 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,744 - INFO - moving on ...
-2024-12-09 10:29:18,744 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:18,744 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:18,744 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:18,744 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,744 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:18,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,745 - INFO - number of orbitals:  36
-2024-12-09 10:29:18,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,746 - INFO - moving on ...
-2024-12-09 10:29:18,746 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:18,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,747 - INFO - number of orbitals:  118
-2024-12-09 10:29:18,747 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,747 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,747 - INFO - moving on ...
-2024-12-09 10:29:18,747 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:18,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,748 - INFO - number of orbitals:  68
-2024-12-09 10:29:18,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,748 - INFO - moving on ...
-2024-12-09 10:29:18,748 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:18,748 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:18,748 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:18,748 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,748 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:18,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,750 - INFO - number of orbitals:  32
-2024-12-09 10:29:18,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,750 - INFO - moving on ...
-2024-12-09 10:29:18,750 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:18,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,751 - INFO - number of orbitals:  114
-2024-12-09 10:29:18,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,751 - INFO - moving on ...
-2024-12-09 10:29:18,751 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:18,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,752 - INFO - number of orbitals:  64
-2024-12-09 10:29:18,752 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,752 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,752 - INFO - moving on ...
-2024-12-09 10:29:18,752 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:18,753 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:18,753 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:18,753 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,753 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:18,754 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,754 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,754 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,754 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:18,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:18,754 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:18,770 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,770 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,771 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:18,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:18,771 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,771 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:18,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,772 - INFO - number of orbitals:  115
-2024-12-09 10:29:18,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,772 - INFO - moving on ...
-2024-12-09 10:29:18,772 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:18,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,773 - INFO - number of orbitals:  58
-2024-12-09 10:29:18,774 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,774 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,774 - INFO - moving on ...
-2024-12-09 10:29:18,774 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:18,774 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:18,774 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:18,774 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,774 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:18,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,775 - INFO - number of orbitals:  37
-2024-12-09 10:29:18,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,775 - INFO - moving on ...
-2024-12-09 10:29:18,775 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:18,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,776 - INFO - number of orbitals:  78
-2024-12-09 10:29:18,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,777 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,777 - INFO - moving on ...
-2024-12-09 10:29:18,777 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:18,777 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:18,777 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:18,777 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,777 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:18,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,778 - INFO - number of orbitals:  58
-2024-12-09 10:29:18,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,778 - INFO - moving on ...
-2024-12-09 10:29:18,778 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:18,778 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:18,778 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:18,778 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,778 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:18,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,780 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,780 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,780 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:18,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:18,780 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:18,798 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,798 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,798 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:18,798 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:18,798 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:18,798 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,799 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:18,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,800 - INFO - number of orbitals:  34
-2024-12-09 10:29:18,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,800 - INFO - moving on ...
-2024-12-09 10:29:18,800 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:18,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,802 - INFO - number of orbitals:  86
-2024-12-09 10:29:18,802 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,802 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,802 - INFO - moving on ...
-2024-12-09 10:29:18,802 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:18,802 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:18,802 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:18,802 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,802 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:18,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,803 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,803 - INFO - moving on ...
-2024-12-09 10:29:18,803 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:18,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,805 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,805 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,805 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,805 - INFO - moving on ...
-2024-12-09 10:29:18,805 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:18,805 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:18,805 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:18,805 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,805 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:18,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,806 - INFO - number of orbitals:  31
-2024-12-09 10:29:18,806 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,806 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,806 - INFO - moving on ...
-2024-12-09 10:29:18,806 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:18,806 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:18,806 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:18,806 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,807 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:18,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,808 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,808 - INFO - moving on ...
-2024-12-09 10:29:18,808 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:18,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,809 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,809 - INFO - moving on ...
-2024-12-09 10:29:18,809 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:18,809 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:18,809 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:18,809 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,810 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:18,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,811 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,811 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,811 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,811 - INFO - moving on ...
-2024-12-09 10:29:18,811 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:18,811 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:18,811 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:18,811 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,811 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:18,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,812 - INFO - number of orbitals:  69
-2024-12-09 10:29:18,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,812 - INFO - moving on ...
-2024-12-09 10:29:18,812 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:18,813 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:18,813 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:18,813 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,813 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:18,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,814 - INFO - number of orbitals:  48
-2024-12-09 10:29:18,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,814 - INFO - moving on ...
-2024-12-09 10:29:18,814 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:18,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,815 - INFO - number of orbitals:  116
-2024-12-09 10:29:18,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,815 - INFO - moving on ...
-2024-12-09 10:29:18,815 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:18,815 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:18,816 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:18,816 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,816 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:18,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,817 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,817 - INFO - moving on ...
-2024-12-09 10:29:18,817 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:18,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,818 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,818 - INFO - moving on ...
-2024-12-09 10:29:18,818 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:18,818 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:18,819 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:18,819 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,819 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:18,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,820 - INFO - number of orbitals:  38
-2024-12-09 10:29:18,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,820 - INFO - moving on ...
-2024-12-09 10:29:18,820 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:18,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,821 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,821 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,821 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,821 - INFO - moving on ...
-2024-12-09 10:29:18,821 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:18,821 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:18,821 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:18,822 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,822 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:18,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,823 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,823 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,823 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:18,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:18,823 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:18,839 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,839 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,839 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:18,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:18,839 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,839 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:18,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,841 - INFO - number of orbitals:  110
-2024-12-09 10:29:18,841 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,841 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,841 - INFO - moving on ...
-2024-12-09 10:29:18,841 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:18,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,842 - INFO - number of orbitals:  60
-2024-12-09 10:29:18,842 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,842 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,842 - INFO - moving on ...
-2024-12-09 10:29:18,842 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:18,842 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:18,842 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:18,842 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,842 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:18,843 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,844 - INFO - number of orbitals:  54
-2024-12-09 10:29:18,844 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,844 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,844 - INFO - moving on ...
-2024-12-09 10:29:18,844 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:18,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,845 - INFO - number of orbitals:  135
-2024-12-09 10:29:18,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,845 - INFO - moving on ...
-2024-12-09 10:29:18,845 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:18,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,846 - INFO - number of orbitals:  88
-2024-12-09 10:29:18,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,846 - INFO - moving on ...
-2024-12-09 10:29:18,846 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:18,847 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:18,847 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:18,847 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,847 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:18,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,848 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,848 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,848 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:18,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:18,848 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:18,864 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,864 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,864 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:18,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:18,864 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,864 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:18,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,866 - INFO - number of orbitals:  119
-2024-12-09 10:29:18,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,866 - INFO - moving on ...
-2024-12-09 10:29:18,866 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:18,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,867 - INFO - number of orbitals:  62
-2024-12-09 10:29:18,867 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,867 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,867 - INFO - moving on ...
-2024-12-09 10:29:18,867 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:18,867 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:18,867 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:18,867 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,867 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:18,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,869 - INFO - number of orbitals:  32
-2024-12-09 10:29:18,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,869 - INFO - moving on ...
-2024-12-09 10:29:18,869 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:18,870 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,870 - INFO - number of orbitals:  64
-2024-12-09 10:29:18,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,870 - INFO - moving on ...
-2024-12-09 10:29:18,870 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:18,870 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:18,870 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:18,870 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,870 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:18,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,871 - INFO - number of orbitals:  52
-2024-12-09 10:29:18,871 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,871 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,871 - INFO - moving on ...
-2024-12-09 10:29:18,871 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:18,872 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:18,872 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:18,872 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,872 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:18,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,873 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,873 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,873 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:18,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:18,873 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:18,889 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,889 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,889 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:18,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:18,889 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,889 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:18,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,891 - INFO - number of orbitals:  89
-2024-12-09 10:29:18,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,891 - INFO - moving on ...
-2024-12-09 10:29:18,891 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:18,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,892 - INFO - number of orbitals:  48
-2024-12-09 10:29:18,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,892 - INFO - moving on ...
-2024-12-09 10:29:18,892 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:18,893 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:18,893 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:18,893 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,893 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:18,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,894 - INFO - number of orbitals:  46
-2024-12-09 10:29:18,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,894 - INFO - moving on ...
-2024-12-09 10:29:18,894 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:18,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,895 - INFO - number of orbitals:  94
-2024-12-09 10:29:18,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,895 - INFO - moving on ...
-2024-12-09 10:29:18,895 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:18,896 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:18,896 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:18,896 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,896 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:18,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,897 - INFO - number of orbitals:  70
-2024-12-09 10:29:18,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,897 - INFO - moving on ...
-2024-12-09 10:29:18,897 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:18,897 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:18,897 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:18,897 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,897 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:18,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,898 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,898 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:18,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:18,899 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:18,914 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,914 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,915 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:18,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:18,915 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,915 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:18,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,916 - INFO - number of orbitals:  79
-2024-12-09 10:29:18,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,916 - INFO - moving on ...
-2024-12-09 10:29:18,916 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:18,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,918 - INFO - number of orbitals:  45
-2024-12-09 10:29:18,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,918 - INFO - moving on ...
-2024-12-09 10:29:18,918 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:18,918 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:18,918 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:18,918 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,918 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:18,918 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,918 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,918 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,920 - INFO - number of orbitals:  42
-2024-12-09 10:29:18,920 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,920 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,920 - INFO - moving on ...
-2024-12-09 10:29:18,920 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:18,920 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,920 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,920 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,922 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,922 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,922 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:18,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:18,922 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:18,938 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,938 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,938 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:18,938 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,939 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,939 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,940 - INFO - number of orbitals:  90
-2024-12-09 10:29:18,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,941 - INFO - moving on ...
-2024-12-09 10:29:18,941 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:18,941 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,941 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,941 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,942 - INFO - number of orbitals:  42
-2024-12-09 10:29:18,942 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,942 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,943 - INFO - moving on ...
-2024-12-09 10:29:18,943 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:18,943 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,943 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,943 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,944 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,944 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,944 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:18,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:18,944 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:18,959 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,960 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,960 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:18,960 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:18,960 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:18,960 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:18,961 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,962 - INFO - number of orbitals:  90
-2024-12-09 10:29:18,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,962 - INFO - moving on ...
-2024-12-09 10:29:18,962 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:18,962 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:18,962 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:18,962 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,962 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:18,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,963 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,963 - INFO - number of supporting files: 2
-2024-12-09 10:29:18,964 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:18,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:18,964 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:18,979 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:18,979 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:18,979 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:18,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:18,979 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:18,979 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:18,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,981 - INFO - number of orbitals:  115
-2024-12-09 10:29:18,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,981 - INFO - moving on ...
-2024-12-09 10:29:18,981 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:18,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,982 - INFO - number of orbitals:  58
-2024-12-09 10:29:18,982 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,982 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,982 - INFO - moving on ...
-2024-12-09 10:29:18,982 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:18,982 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:18,982 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:18,982 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,982 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:18,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,983 - INFO - number of orbitals:  76
-2024-12-09 10:29:18,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:18,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:18,983 - INFO - moving on ...
-2024-12-09 10:29:18,984 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:18,984 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:18,984 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:18,984 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:18,984 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:18,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:18,985 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:18,985 - INFO - number of supporting files: 1
-2024-12-09 10:29:18,985 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:18,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:18,985 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:19,000 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,000 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,000 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:19,001 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:19,001 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:19,001 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,001 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:19,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,003 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,003 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,003 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:19,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:19,003 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:19,019 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,020 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,020 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:19,020 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,020 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,020 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,022 - INFO - number of orbitals:  34
-2024-12-09 10:29:19,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,022 - INFO - moving on ...
-2024-12-09 10:29:19,022 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:19,022 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,022 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,023 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,024 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,024 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,024 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:19,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:19,025 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,041 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,041 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,042 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:19,042 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,042 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,042 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,044 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,044 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,044 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,044 - INFO - moving on ...
-2024-12-09 10:29:19,044 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:19,044 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,044 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,046 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,046 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,046 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:19,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:19,046 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:19,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,063 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,063 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:19,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,065 - INFO - number of orbitals:  34
-2024-12-09 10:29:19,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,066 - INFO - moving on ...
-2024-12-09 10:29:19,066 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:19,066 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:19,066 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:19,066 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,066 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:19,066 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,066 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,066 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,068 - INFO - number of orbitals:  69
-2024-12-09 10:29:19,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,068 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,068 - INFO - moving on ...
-2024-12-09 10:29:19,068 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:19,068 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,068 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,068 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,070 - INFO - number of orbitals:  70
-2024-12-09 10:29:19,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,070 - INFO - moving on ...
-2024-12-09 10:29:19,070 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:19,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,072 - INFO - number of orbitals:  69
-2024-12-09 10:29:19,072 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,072 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,072 - INFO - moving on ...
-2024-12-09 10:29:19,072 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:19,072 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:19,072 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:19,072 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,072 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:19,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,073 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,074 - INFO - moving on ...
-2024-12-09 10:29:19,074 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:19,074 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:19,074 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:19,074 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,074 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:19,074 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,074 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,074 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,075 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,076 - INFO - number of orbitals:  55
-2024-12-09 10:29:19,076 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,076 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,076 - INFO - moving on ...
-2024-12-09 10:29:19,076 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:19,076 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,076 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,076 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,078 - INFO - number of orbitals:  70
-2024-12-09 10:29:19,078 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,078 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,078 - INFO - moving on ...
-2024-12-09 10:29:19,078 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:19,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,079 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,080 - INFO - number of orbitals:  55
-2024-12-09 10:29:19,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,080 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,080 - INFO - moving on ...
-2024-12-09 10:29:19,080 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:19,080 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,080 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,080 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,082 - INFO - number of orbitals:  69
-2024-12-09 10:29:19,082 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,082 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,082 - INFO - moving on ...
-2024-12-09 10:29:19,082 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:19,082 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,082 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,082 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,084 - INFO - number of orbitals:  31
-2024-12-09 10:29:19,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,084 - INFO - moving on ...
-2024-12-09 10:29:19,084 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:19,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,086 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,086 - INFO - moving on ...
-2024-12-09 10:29:19,086 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:19,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,086 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,088 - INFO - number of orbitals:  55
-2024-12-09 10:29:19,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,088 - INFO - moving on ...
-2024-12-09 10:29:19,088 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:19,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,090 - INFO - number of orbitals:  69
-2024-12-09 10:29:19,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,090 - INFO - moving on ...
-2024-12-09 10:29:19,090 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:19,090 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,090 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,090 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,091 - INFO - number of orbitals:  31
-2024-12-09 10:29:19,091 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,091 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,091 - INFO - moving on ...
-2024-12-09 10:29:19,091 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:19,092 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,092 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,092 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,093 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,093 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,093 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,093 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,093 - INFO - moving on ...
-2024-12-09 10:29:19,093 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:19,093 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,093 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,093 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,094 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,095 - INFO - number of orbitals:  31
-2024-12-09 10:29:19,095 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,095 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,095 - INFO - moving on ...
-2024-12-09 10:29:19,095 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:19,095 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,095 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,095 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,097 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,097 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,097 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,097 - INFO - moving on ...
-2024-12-09 10:29:19,097 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:19,097 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,097 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,097 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,099 - INFO - number of orbitals:  31
-2024-12-09 10:29:19,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,099 - INFO - moving on ...
-2024-12-09 10:29:19,099 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:19,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,100 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,101 - INFO - moving on ...
-2024-12-09 10:29:19,101 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:19,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,102 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,102 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,102 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:19,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:19,102 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:19,118 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,118 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,118 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:19,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,120 - INFO - number of orbitals:  39
-2024-12-09 10:29:19,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,120 - INFO - moving on ...
-2024-12-09 10:29:19,120 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:19,120 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:19,120 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:19,121 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,121 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:19,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,122 - INFO - number of orbitals:  42
-2024-12-09 10:29:19,122 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,122 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,122 - INFO - moving on ...
-2024-12-09 10:29:19,122 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:19,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,123 - INFO - number of orbitals:  90
-2024-12-09 10:29:19,123 - INFO - too many orbitals!  we are only considering max_num_orbitals 30.
-2024-12-09 10:29:19,123 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,123 - INFO - moving on ...
-2024-12-09 10:29:19,123 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:19,123 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:19,124 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:19,124 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,124 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:19,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,125 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,125 - INFO - moving on ...
-2024-12-09 10:29:19,125 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:19,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,126 - INFO - number of orbitals:  118
-2024-12-09 10:29:19,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,126 - INFO - moving on ...
-2024-12-09 10:29:19,126 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:19,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,128 - INFO - number of orbitals:  68
-2024-12-09 10:29:19,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,128 - INFO - moving on ...
-2024-12-09 10:29:19,128 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:19,128 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:19,128 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:19,128 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,128 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:19,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,129 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,129 - INFO - moving on ...
-2024-12-09 10:29:19,129 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:19,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,130 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,131 - INFO - moving on ...
-2024-12-09 10:29:19,131 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:19,131 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:19,131 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:19,131 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,131 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:19,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,132 - INFO - number of orbitals:  66
-2024-12-09 10:29:19,132 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,132 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,132 - INFO - moving on ...
-2024-12-09 10:29:19,132 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:19,133 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:19,133 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:19,133 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,133 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:19,133 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,133 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,133 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,134 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,135 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,135 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:19,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:19,135 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:19,150 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,150 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,150 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:19,150 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,151 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,151 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,152 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,152 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,153 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:19,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:19,153 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:19,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,169 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,169 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:19,169 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,169 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,169 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,171 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,171 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,171 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:19,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:19,171 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,187 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,187 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:19,187 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,190 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,190 - INFO - moving on ...
-2024-12-09 10:29:19,190 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:19,190 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,190 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,190 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,192 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,192 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,192 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:19,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:19,192 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:19,208 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,209 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,209 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:19,209 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,209 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,209 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,211 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,211 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,211 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:19,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:19,211 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:19,228 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,228 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,228 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:19,228 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,228 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,228 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,230 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,230 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,230 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:19,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:19,230 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:19,246 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,247 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,247 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:19,247 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,247 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,247 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,249 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,249 - INFO - moving on ...
-2024-12-09 10:29:19,249 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:19,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,251 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,251 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,251 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:19,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:19,251 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:19,267 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,267 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,267 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:19,267 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,267 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,268 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,269 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,269 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,269 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:19,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:19,270 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:19,285 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,285 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,285 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:19,285 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,285 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,285 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,287 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,287 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,287 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:19,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:19,287 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,303 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,303 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,303 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:19,303 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,303 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,303 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,305 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,305 - INFO - moving on ...
-2024-12-09 10:29:19,306 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:19,306 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:19,306 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:19,306 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,306 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:19,306 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,306 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,306 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,308 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,308 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,308 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:19,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:19,308 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:19,324 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,324 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,324 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:19,325 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,325 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,325 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,327 - INFO - number of orbitals:  108
-2024-12-09 10:29:19,327 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,327 - INFO - moving on ...
-2024-12-09 10:29:19,327 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:19,328 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:19,328 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:19,328 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,328 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:19,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,329 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,330 - INFO - moving on ...
-2024-12-09 10:29:19,330 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:19,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,332 - INFO - number of orbitals:  135
-2024-12-09 10:29:19,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,332 - INFO - moving on ...
-2024-12-09 10:29:19,332 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:19,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,334 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,334 - INFO - moving on ...
-2024-12-09 10:29:19,334 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:19,334 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:19,334 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:19,334 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,334 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:19,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,336 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,336 - INFO - moving on ...
-2024-12-09 10:29:19,336 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:19,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,338 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,338 - INFO - moving on ...
-2024-12-09 10:29:19,338 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:19,338 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:19,338 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:19,338 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,339 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:19,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,340 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,340 - INFO - moving on ...
-2024-12-09 10:29:19,340 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:19,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,342 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,342 - INFO - moving on ...
-2024-12-09 10:29:19,342 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:19,342 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:19,343 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:19,343 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,343 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:19,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,344 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,344 - INFO - moving on ...
-2024-12-09 10:29:19,344 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:19,344 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:19,344 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:19,344 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,344 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:19,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,345 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,346 - INFO - moving on ...
-2024-12-09 10:29:19,346 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:19,346 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:19,346 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:19,346 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,346 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:19,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,347 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,347 - INFO - moving on ...
-2024-12-09 10:29:19,347 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:19,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,349 - INFO - number of orbitals:  118
-2024-12-09 10:29:19,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,349 - INFO - moving on ...
-2024-12-09 10:29:19,349 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:19,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,351 - INFO - number of orbitals:  68
-2024-12-09 10:29:19,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,351 - INFO - moving on ...
-2024-12-09 10:29:19,351 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:19,351 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:19,351 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:19,351 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,351 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:19,351 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,352 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,352 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,353 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,353 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,354 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:19,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:19,354 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,369 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,370 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,370 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:19,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,372 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,372 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,372 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:19,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:19,372 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:19,387 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,388 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,388 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:19,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,390 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,390 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:19,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:19,390 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:19,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,407 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,407 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:19,407 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,407 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,407 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,409 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,409 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:19,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:19,409 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,425 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,426 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,426 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:19,426 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,426 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,426 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,428 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,428 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:19,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:19,428 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:19,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,444 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,445 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:19,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,446 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,447 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,447 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:19,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:19,447 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:19,462 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,462 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,462 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:19,462 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,462 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,462 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,464 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,464 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,464 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:19,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:19,464 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:19,480 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,480 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,480 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:19,480 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,480 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,480 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,482 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,482 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,483 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:19,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:19,483 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:19,498 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,499 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,499 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:19,499 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:19,499 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:19,499 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,499 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:19,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,500 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,500 - INFO - moving on ...
-2024-12-09 10:29:19,500 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:19,501 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:19,501 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:19,501 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,501 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:19,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,502 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,502 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:19,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:19,502 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:19,518 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,519 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,519 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:19,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:19,519 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,519 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:19,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,520 - INFO - number of orbitals:  76
-2024-12-09 10:29:19,520 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,520 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,520 - INFO - moving on ...
-2024-12-09 10:29:19,520 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:19,521 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:19,521 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:19,521 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,521 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:19,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,522 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,522 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,522 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:19,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:19,522 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:19,538 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,539 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,539 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:19,539 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:19,539 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,539 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:19,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,540 - INFO - number of orbitals:  119
-2024-12-09 10:29:19,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,540 - INFO - moving on ...
-2024-12-09 10:29:19,540 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:19,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,542 - INFO - number of orbitals:  62
-2024-12-09 10:29:19,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,542 - INFO - moving on ...
-2024-12-09 10:29:19,542 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:19,542 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:19,542 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:19,542 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,542 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:19,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,543 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,543 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,543 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,543 - INFO - moving on ...
-2024-12-09 10:29:19,543 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:19,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,545 - INFO - number of orbitals:  135
-2024-12-09 10:29:19,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,545 - INFO - moving on ...
-2024-12-09 10:29:19,545 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:19,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,547 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,547 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,547 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,547 - INFO - moving on ...
-2024-12-09 10:29:19,547 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:19,547 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:19,547 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:19,547 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,547 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:19,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,549 - INFO - number of orbitals:  36
-2024-12-09 10:29:19,549 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,549 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,549 - INFO - moving on ...
-2024-12-09 10:29:19,549 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:19,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,550 - INFO - number of orbitals:  118
-2024-12-09 10:29:19,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,550 - INFO - moving on ...
-2024-12-09 10:29:19,550 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:19,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,552 - INFO - number of orbitals:  68
-2024-12-09 10:29:19,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,552 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,552 - INFO - moving on ...
-2024-12-09 10:29:19,552 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:19,552 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:19,552 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:19,552 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,552 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:19,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,554 - INFO - number of orbitals:  38
-2024-12-09 10:29:19,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,554 - INFO - moving on ...
-2024-12-09 10:29:19,554 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:19,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,556 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,556 - INFO - moving on ...
-2024-12-09 10:29:19,556 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:19,556 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:19,556 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:19,556 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,556 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:19,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,558 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,558 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,558 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:19,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:19,558 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:19,574 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,574 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,575 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:19,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:19,575 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,575 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:19,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,576 - INFO - number of orbitals:  110
-2024-12-09 10:29:19,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,576 - INFO - moving on ...
-2024-12-09 10:29:19,576 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:19,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,577 - INFO - number of orbitals:  60
-2024-12-09 10:29:19,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,578 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,578 - INFO - moving on ...
-2024-12-09 10:29:19,578 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:19,578 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:19,578 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:19,578 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,578 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:19,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,579 - INFO - number of orbitals:  38
-2024-12-09 10:29:19,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,579 - INFO - moving on ...
-2024-12-09 10:29:19,579 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:19,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,580 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,580 - INFO - moving on ...
-2024-12-09 10:29:19,580 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:19,581 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:19,581 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:19,581 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,581 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:19,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,582 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,582 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:19,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:19,582 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:19,598 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,598 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,598 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:19,598 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:19,598 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:19,598 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,598 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:19,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,600 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,600 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,600 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,600 - INFO - moving on ...
-2024-12-09 10:29:19,600 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:19,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,601 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,601 - INFO - moving on ...
-2024-12-09 10:29:19,601 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:19,601 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:19,601 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:19,602 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,602 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:19,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,603 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,603 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,603 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:19,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:19,603 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:19,618 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,619 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,619 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:19,619 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:19,619 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:19,619 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,619 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:19,619 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,619 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,619 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,621 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,621 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,621 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:19,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:19,621 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:19,637 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,638 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,638 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:19,638 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,638 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,638 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,640 - INFO - number of orbitals:  46
-2024-12-09 10:29:19,640 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,640 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,640 - INFO - moving on ...
-2024-12-09 10:29:19,640 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:19,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,642 - INFO - number of orbitals:  46
-2024-12-09 10:29:19,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,642 - INFO - moving on ...
-2024-12-09 10:29:19,642 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:19,642 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,644 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,645 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,645 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:19,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:19,645 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:19,660 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,661 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,661 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:19,661 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:19,661 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:19,661 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,661 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:19,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,662 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,663 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,663 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:19,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:19,663 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:19,678 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,679 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,679 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:19,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:19,679 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,679 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:19,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,681 - INFO - number of orbitals:  85
-2024-12-09 10:29:19,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,681 - INFO - moving on ...
-2024-12-09 10:29:19,681 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:19,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,682 - INFO - number of orbitals:  44
-2024-12-09 10:29:19,682 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,682 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,682 - INFO - moving on ...
-2024-12-09 10:29:19,682 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:19,682 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:19,682 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:19,682 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,683 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:19,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,684 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,684 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,684 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:19,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:19,684 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:19,700 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,700 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,700 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:19,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:19,700 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,700 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:19,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,702 - INFO - number of orbitals:  110
-2024-12-09 10:29:19,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,702 - INFO - moving on ...
-2024-12-09 10:29:19,702 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:19,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,703 - INFO - number of orbitals:  60
-2024-12-09 10:29:19,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,704 - INFO - moving on ...
-2024-12-09 10:29:19,704 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:19,704 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:19,704 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:19,704 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,704 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:19,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,705 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,705 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:19,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:19,705 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:19,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,722 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,722 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:19,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:19,722 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,722 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:19,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,723 - INFO - number of orbitals:  85
-2024-12-09 10:29:19,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,724 - INFO - moving on ...
-2024-12-09 10:29:19,724 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:19,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,725 - INFO - number of orbitals:  44
-2024-12-09 10:29:19,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,725 - INFO - moving on ...
-2024-12-09 10:29:19,725 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:19,725 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:19,725 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:19,725 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,725 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:19,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,726 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,726 - INFO - moving on ...
-2024-12-09 10:29:19,726 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:19,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,728 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,728 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,728 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,728 - INFO - moving on ...
-2024-12-09 10:29:19,728 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:19,728 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:19,728 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:19,728 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,728 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:19,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,729 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,729 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:19,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:19,729 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:19,745 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,746 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,746 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:19,746 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:19,746 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:19,746 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,746 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:19,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,748 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,748 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,748 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:19,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:19,748 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:19,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,765 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,765 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:19,765 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,767 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,767 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,767 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:19,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:19,767 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:19,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,784 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,784 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:19,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,786 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,786 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,786 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:19,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:19,786 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:19,803 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,803 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,804 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:19,804 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,804 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,804 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,806 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,806 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,806 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:19,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:19,806 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:19,822 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,823 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,823 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:19,823 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,823 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,823 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,824 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,825 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,825 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,825 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:19,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:19,825 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:19,844 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,845 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,845 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:19,845 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,845 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,848 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,848 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,848 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:19,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:19,848 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:19,870 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,870 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,870 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:19,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,872 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,873 - INFO - moving on ...
-2024-12-09 10:29:19,873 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:19,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,875 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:19,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:19,875 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:19,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,891 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,891 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:19,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,894 - INFO - number of orbitals:  42
-2024-12-09 10:29:19,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,894 - INFO - moving on ...
-2024-12-09 10:29:19,894 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:19,894 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:19,894 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:19,894 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,894 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:19,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,895 - INFO - number of orbitals:  54
-2024-12-09 10:29:19,895 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,895 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,895 - INFO - moving on ...
-2024-12-09 10:29:19,895 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:19,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,897 - INFO - number of orbitals:  88
-2024-12-09 10:29:19,897 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,897 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,897 - INFO - moving on ...
-2024-12-09 10:29:19,897 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:19,897 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:19,897 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:19,897 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,897 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:19,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,899 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,899 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:19,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:19,899 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:19,922 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,922 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,922 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:19,922 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:19,923 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,923 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:19,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,925 - INFO - number of orbitals:  72
-2024-12-09 10:29:19,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,925 - INFO - moving on ...
-2024-12-09 10:29:19,925 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:19,925 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:19,925 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:19,925 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,925 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:19,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,927 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,927 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:19,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:19,927 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:19,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,951 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,951 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:19,951 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:19,951 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:19,951 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,951 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:19,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,953 - INFO - number of orbitals:  48
-2024-12-09 10:29:19,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,954 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,954 - INFO - moving on ...
-2024-12-09 10:29:19,954 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:19,954 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:19,954 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:19,954 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,954 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:19,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,956 - INFO - number of orbitals:  48
-2024-12-09 10:29:19,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,956 - INFO - moving on ...
-2024-12-09 10:29:19,956 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:19,957 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,958 - INFO - number of orbitals:  116
-2024-12-09 10:29:19,958 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,958 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,958 - INFO - moving on ...
-2024-12-09 10:29:19,958 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:19,958 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:19,958 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:19,958 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,958 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:19,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,960 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,960 - INFO - number of supporting files: 2
-2024-12-09 10:29:19,960 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:19,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:19,960 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:19,983 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:19,983 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:19,983 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:19,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:19,984 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:19,984 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:19,985 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,986 - INFO - number of orbitals:  79
-2024-12-09 10:29:19,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,986 - INFO - moving on ...
-2024-12-09 10:29:19,986 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:19,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,988 - INFO - number of orbitals:  45
-2024-12-09 10:29:19,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:19,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:19,988 - INFO - moving on ...
-2024-12-09 10:29:19,988 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:19,988 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:19,988 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:19,988 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:19,988 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:19,989 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:19,989 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:19,989 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:19,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:19,991 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:19,991 - INFO - number of supporting files: 1
-2024-12-09 10:29:19,991 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:19,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:19,991 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,015 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,015 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,015 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:20,015 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,016 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,016 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,017 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,018 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,018 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,018 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:20,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:20,019 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:20,042 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,043 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,043 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:20,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,043 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,043 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,046 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,046 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,046 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,046 - INFO - moving on ...
-2024-12-09 10:29:20,046 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:20,047 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,047 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,047 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,049 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,050 - INFO - moving on ...
-2024-12-09 10:29:20,050 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:20,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,053 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,053 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:20,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:20,053 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:20,077 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,078 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,078 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:20,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,078 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,081 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,081 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,081 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:20,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:20,081 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:20,103 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,103 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,103 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:20,103 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,103 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,103 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,105 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,106 - INFO - moving on ...
-2024-12-09 10:29:20,106 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:20,106 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,106 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,106 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,107 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,108 - INFO - moving on ...
-2024-12-09 10:29:20,108 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:20,108 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,108 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,108 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,109 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,110 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,110 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:20,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:20,110 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:20,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,126 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,126 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:20,126 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,129 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,129 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:20,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:20,129 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:20,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,145 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,145 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:20,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,146 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,146 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,147 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,148 - INFO - moving on ...
-2024-12-09 10:29:20,148 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:20,148 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,148 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,148 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,150 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,150 - INFO - moving on ...
-2024-12-09 10:29:20,150 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:20,150 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:20,150 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:20,150 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,150 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:20,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,151 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,151 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:20,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:20,151 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:20,167 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,168 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,168 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:20,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:20,168 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,168 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:20,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,169 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,169 - INFO - moving on ...
-2024-12-09 10:29:20,169 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:20,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,171 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,171 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,171 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:20,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:20,171 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:20,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,187 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,187 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:20,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:20,188 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,188 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:20,188 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:20,188 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:20,188 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,188 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:20,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,189 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,190 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:20,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:20,190 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:20,206 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,206 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,206 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:20,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:20,207 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,207 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:20,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,208 - INFO - number of orbitals:  110
-2024-12-09 10:29:20,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,208 - INFO - moving on ...
-2024-12-09 10:29:20,208 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:20,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,209 - INFO - number of orbitals:  60
-2024-12-09 10:29:20,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,210 - INFO - moving on ...
-2024-12-09 10:29:20,210 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:20,210 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:20,210 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:20,210 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,210 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:20,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,211 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,211 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,211 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:20,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:20,211 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:20,228 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,228 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,228 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:20,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:20,228 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,228 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:20,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,230 - INFO - number of orbitals:  110
-2024-12-09 10:29:20,230 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,230 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,230 - INFO - moving on ...
-2024-12-09 10:29:20,230 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:20,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,231 - INFO - number of orbitals:  60
-2024-12-09 10:29:20,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,231 - INFO - moving on ...
-2024-12-09 10:29:20,231 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:20,232 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:20,232 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:20,232 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,232 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:20,232 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,232 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,232 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,233 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,234 - INFO - moving on ...
-2024-12-09 10:29:20,234 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:20,234 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,234 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,234 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,235 - INFO - number of orbitals:  53
-2024-12-09 10:29:20,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,236 - INFO - moving on ...
-2024-12-09 10:29:20,236 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:20,236 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,236 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,236 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,237 - INFO - number of orbitals:  58
-2024-12-09 10:29:20,238 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,238 - INFO - moving on ...
-2024-12-09 10:29:20,238 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:20,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,239 - INFO - number of orbitals:  44
-2024-12-09 10:29:20,240 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,240 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,240 - INFO - moving on ...
-2024-12-09 10:29:20,240 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:20,240 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,240 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,240 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,241 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,242 - INFO - moving on ...
-2024-12-09 10:29:20,242 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:20,242 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,242 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,242 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,243 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,243 - INFO - moving on ...
-2024-12-09 10:29:20,243 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:20,243 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,245 - INFO - number of orbitals:  44
-2024-12-09 10:29:20,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,245 - INFO - moving on ...
-2024-12-09 10:29:20,245 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:20,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,246 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,246 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,247 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,247 - INFO - moving on ...
-2024-12-09 10:29:20,247 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:20,247 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,247 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,247 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,249 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,249 - INFO - moving on ...
-2024-12-09 10:29:20,249 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:20,249 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:20,249 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:20,249 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,249 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:20,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,251 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,251 - INFO - moving on ...
-2024-12-09 10:29:20,251 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:20,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,252 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,252 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,252 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,252 - INFO - moving on ...
-2024-12-09 10:29:20,252 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:20,252 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:20,252 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:20,252 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,252 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:20,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,253 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,253 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,253 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,254 - INFO - moving on ...
-2024-12-09 10:29:20,254 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:20,254 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:20,254 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:20,254 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,254 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:20,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,255 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,255 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:20,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:20,255 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:20,273 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,273 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,273 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:20,274 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:20,274 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:20,274 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,274 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:20,275 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,275 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,275 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,275 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:20,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:20,275 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:20,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,291 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,291 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:20,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:20,291 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,291 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:20,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,292 - INFO - number of orbitals:  74
-2024-12-09 10:29:20,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,293 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,293 - INFO - moving on ...
-2024-12-09 10:29:20,293 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:20,293 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:20,293 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:20,293 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,293 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:20,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,294 - INFO - number of orbitals:  38
-2024-12-09 10:29:20,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,294 - INFO - moving on ...
-2024-12-09 10:29:20,294 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:20,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,295 - INFO - number of orbitals:  90
-2024-12-09 10:29:20,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,296 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,296 - INFO - moving on ...
-2024-12-09 10:29:20,296 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:20,296 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:20,296 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:20,296 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,296 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:20,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,297 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,297 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,297 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,297 - INFO - moving on ...
-2024-12-09 10:29:20,297 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:20,297 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:20,297 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:20,297 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,297 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:20,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,299 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,299 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,299 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,299 - INFO - moving on ...
-2024-12-09 10:29:20,299 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:20,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,300 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,300 - INFO - moving on ...
-2024-12-09 10:29:20,300 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:20,300 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:20,300 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:20,300 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,300 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:20,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,301 - INFO - number of orbitals:  47
-2024-12-09 10:29:20,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,302 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,302 - INFO - moving on ...
-2024-12-09 10:29:20,302 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:20,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,303 - INFO - number of orbitals:  106
-2024-12-09 10:29:20,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,303 - INFO - moving on ...
-2024-12-09 10:29:20,303 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:20,303 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:20,303 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:20,303 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,303 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:20,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,304 - INFO - number of orbitals:  36
-2024-12-09 10:29:20,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,304 - INFO - moving on ...
-2024-12-09 10:29:20,304 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:20,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,306 - INFO - number of orbitals:  118
-2024-12-09 10:29:20,306 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,306 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,306 - INFO - moving on ...
-2024-12-09 10:29:20,306 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:20,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,307 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,307 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,307 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,307 - INFO - moving on ...
-2024-12-09 10:29:20,307 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:20,307 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:20,307 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:20,307 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,307 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:20,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,308 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,308 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,308 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:20,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:20,308 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:20,323 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,323 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,323 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:20,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:20,323 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,323 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:20,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,325 - INFO - number of orbitals:  114
-2024-12-09 10:29:20,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,325 - INFO - moving on ...
-2024-12-09 10:29:20,325 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:20,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,326 - INFO - number of orbitals:  64
-2024-12-09 10:29:20,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,326 - INFO - moving on ...
-2024-12-09 10:29:20,326 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:20,326 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:20,327 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:20,327 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,327 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:20,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,328 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,328 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,328 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:20,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:20,328 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:20,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,344 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,344 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:20,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:20,344 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,344 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:20,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,346 - INFO - number of orbitals:  115
-2024-12-09 10:29:20,346 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,346 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,346 - INFO - moving on ...
-2024-12-09 10:29:20,346 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:20,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,347 - INFO - number of orbitals:  58
-2024-12-09 10:29:20,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,347 - INFO - moving on ...
-2024-12-09 10:29:20,347 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:20,347 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:20,348 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:20,348 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,348 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:20,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,349 - INFO - number of orbitals:  37
-2024-12-09 10:29:20,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,349 - INFO - moving on ...
-2024-12-09 10:29:20,349 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:20,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,350 - INFO - number of orbitals:  78
-2024-12-09 10:29:20,350 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,350 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,350 - INFO - moving on ...
-2024-12-09 10:29:20,350 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:20,350 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:20,351 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:20,351 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,351 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:20,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,352 - INFO - number of orbitals:  58
-2024-12-09 10:29:20,352 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,352 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,352 - INFO - moving on ...
-2024-12-09 10:29:20,352 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:20,352 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:20,352 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:20,352 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,352 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:20,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,353 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,354 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,354 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:20,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:20,354 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:20,369 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,369 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,369 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:20,370 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:20,370 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:20,370 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,370 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:20,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,371 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,371 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,371 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:20,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:20,371 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:20,387 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,387 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,387 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:20,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:20,387 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,387 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:20,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,389 - INFO - number of orbitals:  86
-2024-12-09 10:29:20,389 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,389 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,389 - INFO - moving on ...
-2024-12-09 10:29:20,389 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:20,389 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:20,389 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:20,389 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,389 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:20,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,390 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,390 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,390 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,390 - INFO - moving on ...
-2024-12-09 10:29:20,390 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:20,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,392 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,392 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,392 - INFO - moving on ...
-2024-12-09 10:29:20,392 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:20,392 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:20,392 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:20,392 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,392 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:20,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,393 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,393 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,393 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:20,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:20,393 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:20,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,409 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,409 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:20,410 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:20,410 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:20,410 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,410 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:20,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,411 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,411 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,411 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,411 - INFO - moving on ...
-2024-12-09 10:29:20,411 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:20,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,412 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,413 - INFO - moving on ...
-2024-12-09 10:29:20,413 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:20,413 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:20,413 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:20,413 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,413 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:20,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,414 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,414 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,414 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,414 - INFO - moving on ...
-2024-12-09 10:29:20,414 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:20,414 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:20,414 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:20,414 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,414 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:20,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,416 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,416 - INFO - moving on ...
-2024-12-09 10:29:20,416 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:20,416 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:20,416 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:20,416 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,416 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:20,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,417 - INFO - number of orbitals:  48
-2024-12-09 10:29:20,417 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,417 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,417 - INFO - moving on ...
-2024-12-09 10:29:20,417 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:20,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,419 - INFO - number of orbitals:  116
-2024-12-09 10:29:20,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,419 - INFO - moving on ...
-2024-12-09 10:29:20,419 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:20,419 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:20,419 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:20,419 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,419 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:20,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,420 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,420 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,420 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,420 - INFO - moving on ...
-2024-12-09 10:29:20,420 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:20,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,421 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,422 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,422 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,422 - INFO - moving on ...
-2024-12-09 10:29:20,422 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:20,422 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:20,422 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:20,422 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,422 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:20,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,423 - INFO - number of orbitals:  38
-2024-12-09 10:29:20,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,423 - INFO - moving on ...
-2024-12-09 10:29:20,423 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:20,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,424 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,424 - INFO - moving on ...
-2024-12-09 10:29:20,425 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:20,425 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:20,425 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:20,425 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,425 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:20,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,426 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,426 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,426 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:20,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:20,426 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:20,443 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,443 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,443 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:20,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:20,443 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,443 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:20,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,445 - INFO - number of orbitals:  110
-2024-12-09 10:29:20,445 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,445 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,445 - INFO - moving on ...
-2024-12-09 10:29:20,445 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:20,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,446 - INFO - number of orbitals:  60
-2024-12-09 10:29:20,446 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,446 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,446 - INFO - moving on ...
-2024-12-09 10:29:20,446 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:20,447 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:20,447 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:20,447 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,447 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:20,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,448 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,448 - INFO - moving on ...
-2024-12-09 10:29:20,448 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:20,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,449 - INFO - number of orbitals:  135
-2024-12-09 10:29:20,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,449 - INFO - moving on ...
-2024-12-09 10:29:20,449 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:20,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,450 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,451 - INFO - moving on ...
-2024-12-09 10:29:20,451 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:20,451 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:20,451 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:20,451 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,451 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:20,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,452 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,452 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,452 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:20,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:20,452 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:20,467 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,467 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,467 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:20,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:20,468 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,468 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:20,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,469 - INFO - number of orbitals:  119
-2024-12-09 10:29:20,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,469 - INFO - moving on ...
-2024-12-09 10:29:20,469 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:20,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,470 - INFO - number of orbitals:  62
-2024-12-09 10:29:20,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,470 - INFO - moving on ...
-2024-12-09 10:29:20,470 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:20,471 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:20,471 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:20,471 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,471 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:20,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,472 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,472 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,472 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:20,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:20,472 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:20,487 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,488 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,488 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:20,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:20,488 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,488 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:20,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,489 - INFO - number of orbitals:  64
-2024-12-09 10:29:20,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,489 - INFO - moving on ...
-2024-12-09 10:29:20,489 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:20,490 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:20,490 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:20,490 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,490 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:20,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,491 - INFO - number of orbitals:  52
-2024-12-09 10:29:20,491 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,491 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,491 - INFO - moving on ...
-2024-12-09 10:29:20,491 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:20,491 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:20,491 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:20,491 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,491 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:20,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,493 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,493 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,493 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:20,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:20,493 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:20,509 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,509 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,509 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:20,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:20,509 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,509 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:20,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,511 - INFO - number of orbitals:  89
-2024-12-09 10:29:20,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,511 - INFO - moving on ...
-2024-12-09 10:29:20,511 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:20,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,512 - INFO - number of orbitals:  48
-2024-12-09 10:29:20,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,512 - INFO - moving on ...
-2024-12-09 10:29:20,512 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:20,512 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:20,512 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:20,512 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,513 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:20,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,514 - INFO - number of orbitals:  46
-2024-12-09 10:29:20,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,514 - INFO - moving on ...
-2024-12-09 10:29:20,514 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:20,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,515 - INFO - number of orbitals:  94
-2024-12-09 10:29:20,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,515 - INFO - moving on ...
-2024-12-09 10:29:20,515 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:20,515 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:20,515 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:20,515 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,515 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:20,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,517 - INFO - number of orbitals:  70
-2024-12-09 10:29:20,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,517 - INFO - moving on ...
-2024-12-09 10:29:20,517 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:20,517 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:20,517 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:20,517 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,517 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:20,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,518 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,518 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,518 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:20,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:20,519 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:20,536 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,536 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,536 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:20,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:20,536 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,536 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:20,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,538 - INFO - number of orbitals:  79
-2024-12-09 10:29:20,538 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,538 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,538 - INFO - moving on ...
-2024-12-09 10:29:20,538 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:20,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,539 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,540 - INFO - moving on ...
-2024-12-09 10:29:20,540 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:20,540 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:20,540 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:20,540 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,540 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:20,540 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,540 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,540 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,542 - INFO - number of orbitals:  42
-2024-12-09 10:29:20,542 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,542 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,542 - INFO - moving on ...
-2024-12-09 10:29:20,542 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:20,542 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,543 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,543 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,545 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,545 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:20,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:20,545 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:20,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,562 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,562 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:20,562 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,564 - INFO - number of orbitals:  90
-2024-12-09 10:29:20,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,564 - INFO - moving on ...
-2024-12-09 10:29:20,564 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:20,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,566 - INFO - number of orbitals:  42
-2024-12-09 10:29:20,567 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,567 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,567 - INFO - moving on ...
-2024-12-09 10:29:20,567 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:20,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,569 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,569 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,569 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:20,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:20,569 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:20,585 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,586 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,586 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:20,586 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,586 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,586 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,588 - INFO - number of orbitals:  90
-2024-12-09 10:29:20,588 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,588 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,588 - INFO - moving on ...
-2024-12-09 10:29:20,588 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:20,589 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:20,589 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:20,589 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,589 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:20,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,590 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,590 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:20,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:20,590 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:20,606 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,606 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,606 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:20,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:20,606 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,606 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:20,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,608 - INFO - number of orbitals:  115
-2024-12-09 10:29:20,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,608 - INFO - moving on ...
-2024-12-09 10:29:20,608 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:20,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,609 - INFO - number of orbitals:  58
-2024-12-09 10:29:20,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,609 - INFO - moving on ...
-2024-12-09 10:29:20,609 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:20,609 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:20,609 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:20,609 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,609 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:20,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,610 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,611 - INFO - moving on ...
-2024-12-09 10:29:20,611 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:20,611 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:20,611 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:20,611 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,611 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:20,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,612 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:20,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:20,612 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:20,629 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,630 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,630 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:20,630 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:20,630 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:20,630 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,630 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:20,630 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,630 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,632 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,632 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,632 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:20,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:20,633 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:20,650 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,650 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,650 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:20,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,651 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,651 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,653 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,653 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,653 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:20,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:20,653 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:20,670 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,671 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,671 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:20,671 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,671 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,671 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,673 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,674 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,674 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:20,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:20,674 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,690 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,690 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,691 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:20,691 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,691 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,691 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,693 - INFO - number of orbitals:  36
-2024-12-09 10:29:20,693 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,693 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,693 - INFO - moving on ...
-2024-12-09 10:29:20,693 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:20,693 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,693 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,693 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,695 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,695 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,695 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:20,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:20,695 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:20,711 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,712 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,712 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:20,712 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,712 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,712 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,713 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,714 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,714 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,714 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:20,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:20,714 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,731 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,732 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,732 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:20,732 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:20,732 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:20,732 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,732 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:20,732 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,732 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,732 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,735 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,735 - INFO - moving on ...
-2024-12-09 10:29:20,735 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:20,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,737 - INFO - number of orbitals:  70
-2024-12-09 10:29:20,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,737 - INFO - moving on ...
-2024-12-09 10:29:20,737 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:20,737 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,737 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,737 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,739 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,739 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,739 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,739 - INFO - moving on ...
-2024-12-09 10:29:20,739 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:20,739 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:20,739 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:20,739 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,739 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:20,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,741 - INFO - number of orbitals:  76
-2024-12-09 10:29:20,741 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,741 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,741 - INFO - moving on ...
-2024-12-09 10:29:20,741 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:20,741 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:20,742 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:20,742 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,742 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:20,742 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,742 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,742 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,743 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,743 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,744 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,744 - INFO - moving on ...
-2024-12-09 10:29:20,744 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:20,744 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,744 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,744 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,746 - INFO - number of orbitals:  70
-2024-12-09 10:29:20,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,746 - INFO - moving on ...
-2024-12-09 10:29:20,746 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:20,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,748 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,748 - INFO - moving on ...
-2024-12-09 10:29:20,748 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:20,748 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,748 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,748 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,750 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,750 - INFO - moving on ...
-2024-12-09 10:29:20,750 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:20,750 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,750 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,750 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,752 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,752 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,752 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:20,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:20,752 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:20,769 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,769 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,769 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:20,769 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,769 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,769 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,771 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,771 - INFO - moving on ...
-2024-12-09 10:29:20,771 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:20,772 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,772 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,772 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,773 - INFO - number of orbitals:  55
-2024-12-09 10:29:20,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,773 - INFO - moving on ...
-2024-12-09 10:29:20,774 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:20,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,774 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,774 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,775 - INFO - number of orbitals:  69
-2024-12-09 10:29:20,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,776 - INFO - moving on ...
-2024-12-09 10:29:20,776 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:20,776 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,776 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,776 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,777 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,777 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:20,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:20,778 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:20,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,794 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,795 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:20,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,797 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,797 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,797 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,797 - INFO - moving on ...
-2024-12-09 10:29:20,797 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:20,797 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,797 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,797 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,799 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,799 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,799 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:20,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:20,799 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:20,815 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,816 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,816 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:20,816 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,816 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,816 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,818 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,818 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,818 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,818 - INFO - moving on ...
-2024-12-09 10:29:20,818 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:20,818 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,818 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,818 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,820 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,820 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,820 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:20,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:20,820 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:20,837 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,837 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,837 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:20,837 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,837 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,837 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,839 - INFO - number of orbitals:  45
-2024-12-09 10:29:20,839 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,839 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,839 - INFO - moving on ...
-2024-12-09 10:29:20,839 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:20,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,840 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,840 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,841 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,841 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:20,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:20,841 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:20,858 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,858 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,858 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:20,858 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,858 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,858 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,860 - INFO - number of orbitals:  39
-2024-12-09 10:29:20,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,860 - INFO - moving on ...
-2024-12-09 10:29:20,860 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:20,861 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:20,861 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:20,861 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,861 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:20,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,862 - INFO - number of orbitals:  42
-2024-12-09 10:29:20,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,862 - INFO - moving on ...
-2024-12-09 10:29:20,862 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:20,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,863 - INFO - number of orbitals:  90
-2024-12-09 10:29:20,863 - INFO - too many orbitals!  we are only considering max_num_orbitals 35.
-2024-12-09 10:29:20,863 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,863 - INFO - moving on ...
-2024-12-09 10:29:20,863 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:20,864 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:20,864 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:20,864 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,864 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:20,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,865 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,865 - INFO - number of supporting files: 2
-2024-12-09 10:29:20,865 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:20,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:20,865 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:20,880 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,881 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,881 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:20,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:20,881 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:20,881 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:20,882 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,882 - INFO - number of orbitals:  118
-2024-12-09 10:29:20,882 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,882 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,882 - INFO - moving on ...
-2024-12-09 10:29:20,883 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:20,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,884 - INFO - number of orbitals:  68
-2024-12-09 10:29:20,884 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,884 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,884 - INFO - moving on ...
-2024-12-09 10:29:20,884 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:20,884 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:20,884 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:20,884 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,884 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:20,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,885 - INFO - number of orbitals:  54
-2024-12-09 10:29:20,885 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,885 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,885 - INFO - moving on ...
-2024-12-09 10:29:20,885 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:20,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,887 - INFO - number of orbitals:  88
-2024-12-09 10:29:20,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,887 - INFO - moving on ...
-2024-12-09 10:29:20,887 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:20,887 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:20,887 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:20,887 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,887 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:20,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,888 - INFO - number of orbitals:  66
-2024-12-09 10:29:20,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:20,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:20,888 - INFO - moving on ...
-2024-12-09 10:29:20,888 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:20,889 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:20,889 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:20,889 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:20,889 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:20,889 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,891 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,891 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,891 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:20,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:20,891 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:20,908 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,908 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,908 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:20,908 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,908 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,908 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,910 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,910 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,910 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:20,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:20,910 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:20,926 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,927 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,927 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:20,927 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,927 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,927 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,929 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,929 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,929 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:20,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:20,929 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,945 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,946 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,946 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:20,946 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,946 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,946 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,947 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,948 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,948 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,948 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:20,948 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:20,948 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:20,963 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,964 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,964 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:20,964 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,964 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,964 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,966 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,966 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:20,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:20,966 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:20,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:20,982 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:20,982 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:20,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:20,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:20,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:20,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:20,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:20,984 - INFO - number of supporting files: 1
-2024-12-09 10:29:20,984 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:20,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:20,984 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:21,000 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,001 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,001 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:21,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,003 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,003 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,003 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:21,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:21,003 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:21,019 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,020 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,020 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:21,020 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,020 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,020 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,022 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,022 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,022 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:21,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:21,022 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:21,038 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,038 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,038 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:21,038 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,039 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,039 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,040 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,041 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,041 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:21,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:21,041 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:21,057 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,058 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,058 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:21,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,060 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,060 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:21,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:21,060 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:21,076 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,077 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,077 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:21,077 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,077 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,077 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,079 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,079 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:21,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:21,079 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,096 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,096 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:21,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,098 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:21,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:21,098 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:21,114 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,115 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,115 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:21,115 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:21,115 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:21,115 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,115 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:21,115 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,115 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,115 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,117 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,118 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,118 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:21,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:21,118 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:21,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,136 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,136 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:21,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,138 - INFO - number of orbitals:  108
-2024-12-09 10:29:21,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,138 - INFO - moving on ...
-2024-12-09 10:29:21,138 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:21,138 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:21,138 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:21,138 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,138 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:21,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,140 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,140 - INFO - moving on ...
-2024-12-09 10:29:21,140 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:21,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,141 - INFO - number of orbitals:  135
-2024-12-09 10:29:21,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,141 - INFO - moving on ...
-2024-12-09 10:29:21,141 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:21,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,142 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,143 - INFO - moving on ...
-2024-12-09 10:29:21,143 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:21,143 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:21,143 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:21,143 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,143 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:21,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,144 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,144 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,144 - INFO - moving on ...
-2024-12-09 10:29:21,144 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:21,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,145 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,146 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,146 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,146 - INFO - moving on ...
-2024-12-09 10:29:21,146 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:21,146 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:21,146 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:21,146 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,146 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:21,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,147 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,147 - INFO - moving on ...
-2024-12-09 10:29:21,147 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:21,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,148 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,148 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,148 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,149 - INFO - moving on ...
-2024-12-09 10:29:21,149 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:21,149 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:21,149 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:21,149 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,149 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:21,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,150 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,150 - INFO - moving on ...
-2024-12-09 10:29:21,150 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:21,150 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:21,150 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:21,150 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,150 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:21,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,152 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,152 - INFO - moving on ...
-2024-12-09 10:29:21,152 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:21,152 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:21,152 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:21,152 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,152 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:21,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,153 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,153 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,153 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:21,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:21,153 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:21,170 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,171 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,171 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:21,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:21,171 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,171 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:21,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,172 - INFO - number of orbitals:  118
-2024-12-09 10:29:21,173 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,173 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,173 - INFO - moving on ...
-2024-12-09 10:29:21,173 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:21,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,174 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,174 - INFO - moving on ...
-2024-12-09 10:29:21,174 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:21,174 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:21,174 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:21,174 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,174 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:21,174 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,175 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,175 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,176 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,176 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,176 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:21,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:21,176 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,193 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,193 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:21,193 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,193 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,193 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,195 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,195 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,195 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:21,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:21,196 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:21,212 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,212 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,213 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:21,213 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,213 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,213 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,215 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,215 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,215 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:21,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:21,215 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:21,231 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,231 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,232 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:21,232 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,232 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,232 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,234 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,234 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,234 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:21,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:21,234 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,250 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,251 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,251 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:21,251 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,251 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,251 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,253 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,253 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,253 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:21,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:21,253 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:21,270 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,270 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,270 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:21,270 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,271 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,273 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,273 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:21,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:21,273 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:21,289 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,289 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,290 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:21,290 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,290 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,292 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,292 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:21,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:21,292 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:21,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,309 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,309 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:21,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,309 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,309 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,311 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,311 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:21,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:21,311 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:21,327 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,328 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,328 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:21,328 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:21,328 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:21,328 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,328 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:21,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,330 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,330 - INFO - moving on ...
-2024-12-09 10:29:21,330 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:21,330 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:21,330 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:21,330 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,330 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:21,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,332 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,332 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:21,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:21,332 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:21,347 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,348 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,348 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:21,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:21,348 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,348 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:21,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,349 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,349 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,349 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,349 - INFO - moving on ...
-2024-12-09 10:29:21,350 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:21,350 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:21,350 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:21,350 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,350 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:21,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,351 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,351 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,351 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:21,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:21,351 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:21,368 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,369 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,369 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:21,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:21,369 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,369 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:21,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,370 - INFO - number of orbitals:  119
-2024-12-09 10:29:21,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,370 - INFO - moving on ...
-2024-12-09 10:29:21,371 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:21,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,372 - INFO - number of orbitals:  62
-2024-12-09 10:29:21,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,372 - INFO - moving on ...
-2024-12-09 10:29:21,372 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:21,372 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:21,372 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:21,372 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,372 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:21,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,373 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,373 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,374 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,374 - INFO - moving on ...
-2024-12-09 10:29:21,374 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:21,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,375 - INFO - number of orbitals:  135
-2024-12-09 10:29:21,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,375 - INFO - moving on ...
-2024-12-09 10:29:21,375 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:21,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,376 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,376 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,376 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,376 - INFO - moving on ...
-2024-12-09 10:29:21,376 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:21,376 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:21,376 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:21,376 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,377 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:21,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,378 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,378 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,378 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:21,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:21,378 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:21,395 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,395 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,395 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:21,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:21,395 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,395 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:21,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,397 - INFO - number of orbitals:  118
-2024-12-09 10:29:21,397 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,397 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,397 - INFO - moving on ...
-2024-12-09 10:29:21,397 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:21,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,398 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,398 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,398 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,398 - INFO - moving on ...
-2024-12-09 10:29:21,398 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:21,398 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:21,399 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:21,399 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,399 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:21,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,400 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,400 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,400 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:21,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:21,400 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:21,417 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,417 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,417 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:21,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:21,417 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,417 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:21,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,419 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,419 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,419 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,419 - INFO - moving on ...
-2024-12-09 10:29:21,419 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:21,419 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:21,419 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:21,419 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,419 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:21,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,421 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,421 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,421 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:21,421 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:21,421 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:21,438 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,438 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,438 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:21,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:21,438 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,438 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:21,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,440 - INFO - number of orbitals:  110
-2024-12-09 10:29:21,440 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,440 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,440 - INFO - moving on ...
-2024-12-09 10:29:21,440 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:21,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,441 - INFO - number of orbitals:  60
-2024-12-09 10:29:21,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,441 - INFO - moving on ...
-2024-12-09 10:29:21,441 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:21,441 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:21,441 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:21,441 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,442 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:21,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,443 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,443 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,443 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:21,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:21,443 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:21,459 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,460 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,460 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:21,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:21,460 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,460 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:21,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,461 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,461 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,461 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,461 - INFO - moving on ...
-2024-12-09 10:29:21,461 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:21,462 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:21,462 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:21,462 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,462 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:21,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,463 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,463 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,463 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:21,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:21,463 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:21,479 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,479 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,479 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:21,479 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:21,479 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:21,479 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,479 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:21,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,481 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,481 - INFO - moving on ...
-2024-12-09 10:29:21,481 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:21,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,482 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,482 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,482 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,482 - INFO - moving on ...
-2024-12-09 10:29:21,482 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:21,482 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:21,482 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:21,483 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,483 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:21,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,484 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,484 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,484 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:21,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:21,484 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:21,500 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,501 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,501 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:21,501 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:21,501 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:21,501 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,501 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:21,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,501 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,503 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,503 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,503 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:21,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:21,503 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:21,519 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,520 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,520 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:21,520 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,520 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,520 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,522 - INFO - number of orbitals:  46
-2024-12-09 10:29:21,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,522 - INFO - moving on ...
-2024-12-09 10:29:21,522 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:21,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,525 - INFO - number of orbitals:  46
-2024-12-09 10:29:21,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,525 - INFO - moving on ...
-2024-12-09 10:29:21,525 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:21,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,525 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,525 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,527 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,527 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,527 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:21,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:21,527 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:21,544 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,544 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,544 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:21,544 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:21,544 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:21,544 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,544 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:21,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,546 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,546 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:21,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:21,546 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:21,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,562 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,562 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:21,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:21,562 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,562 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:21,564 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,564 - INFO - number of orbitals:  85
-2024-12-09 10:29:21,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,564 - INFO - moving on ...
-2024-12-09 10:29:21,564 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:21,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,565 - INFO - number of orbitals:  44
-2024-12-09 10:29:21,565 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,565 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,565 - INFO - moving on ...
-2024-12-09 10:29:21,565 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:21,566 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:21,566 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:21,566 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,566 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:21,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,567 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,567 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,567 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:21,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:21,567 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,584 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,584 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,584 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:21,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:21,584 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,584 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:21,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,586 - INFO - number of orbitals:  110
-2024-12-09 10:29:21,586 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,586 - INFO - moving on ...
-2024-12-09 10:29:21,586 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:21,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,587 - INFO - number of orbitals:  60
-2024-12-09 10:29:21,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,587 - INFO - moving on ...
-2024-12-09 10:29:21,587 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:21,587 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:21,587 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:21,587 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,587 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:21,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,589 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,589 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,589 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:21,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:21,589 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:21,605 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,605 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,605 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:21,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:21,605 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,605 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:21,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,607 - INFO - number of orbitals:  85
-2024-12-09 10:29:21,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,607 - INFO - moving on ...
-2024-12-09 10:29:21,607 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:21,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,608 - INFO - number of orbitals:  44
-2024-12-09 10:29:21,608 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,608 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,608 - INFO - moving on ...
-2024-12-09 10:29:21,608 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:21,608 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:21,608 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:21,608 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,608 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:21,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,610 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,610 - INFO - moving on ...
-2024-12-09 10:29:21,610 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:21,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,611 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,611 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,611 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,611 - INFO - moving on ...
-2024-12-09 10:29:21,611 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:21,611 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:21,611 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:21,611 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,611 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:21,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,612 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:21,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:21,613 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:21,628 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,629 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,629 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:21,629 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:21,629 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:21,629 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,629 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:21,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,631 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,631 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,631 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:21,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:21,632 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:21,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,650 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,650 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:21,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,650 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,650 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,652 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,652 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,652 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:21,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:21,652 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:21,669 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,670 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,670 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:21,670 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,670 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,670 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,672 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,672 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,672 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:21,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:21,672 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:21,688 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,689 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,689 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:21,689 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,689 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,689 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,691 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,691 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,691 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:21,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:21,691 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:21,707 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,708 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,708 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:21,708 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,708 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,708 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,710 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,710 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,710 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:21,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:21,710 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:21,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,727 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,727 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:21,727 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,727 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,727 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,729 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,729 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:21,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:21,729 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:21,746 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,746 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,746 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:21,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,748 - INFO - number of orbitals:  45
-2024-12-09 10:29:21,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,748 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,748 - INFO - moving on ...
-2024-12-09 10:29:21,748 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:21,748 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,749 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,749 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,750 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,750 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,750 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:21,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:21,750 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:21,766 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,766 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,767 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:21,767 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,767 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,767 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,769 - INFO - number of orbitals:  42
-2024-12-09 10:29:21,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,769 - INFO - moving on ...
-2024-12-09 10:29:21,769 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:21,769 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:21,769 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:21,769 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,769 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:21,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,770 - INFO - number of orbitals:  54
-2024-12-09 10:29:21,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,770 - INFO - moving on ...
-2024-12-09 10:29:21,770 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:21,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,772 - INFO - number of orbitals:  88
-2024-12-09 10:29:21,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,772 - INFO - moving on ...
-2024-12-09 10:29:21,772 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:21,772 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:21,772 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:21,772 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,772 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:21,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,773 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,773 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,773 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:21,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:21,773 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:21,791 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,792 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,792 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:21,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:21,792 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,792 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:21,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,793 - INFO - number of orbitals:  72
-2024-12-09 10:29:21,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,793 - INFO - moving on ...
-2024-12-09 10:29:21,793 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:21,794 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:21,794 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:21,794 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,794 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:21,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,795 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,795 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,795 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:21,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:21,795 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:21,811 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,812 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,812 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:21,812 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:21,812 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:21,812 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,812 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:21,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,814 - INFO - number of orbitals:  48
-2024-12-09 10:29:21,814 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,814 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,814 - INFO - moving on ...
-2024-12-09 10:29:21,814 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:21,814 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:21,814 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:21,814 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,814 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:21,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,815 - INFO - number of orbitals:  48
-2024-12-09 10:29:21,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,816 - INFO - moving on ...
-2024-12-09 10:29:21,816 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:21,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,817 - INFO - number of orbitals:  116
-2024-12-09 10:29:21,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,817 - INFO - moving on ...
-2024-12-09 10:29:21,817 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:21,817 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:21,817 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:21,817 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,817 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:21,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,818 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,818 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,818 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:21,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:21,818 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:21,835 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,835 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,835 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:21,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:21,835 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,835 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:21,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,837 - INFO - number of orbitals:  79
-2024-12-09 10:29:21,837 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,837 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,837 - INFO - moving on ...
-2024-12-09 10:29:21,837 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:21,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,838 - INFO - number of orbitals:  45
-2024-12-09 10:29:21,838 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,838 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,838 - INFO - moving on ...
-2024-12-09 10:29:21,838 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:21,838 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:21,838 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:21,839 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,839 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:21,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,839 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,839 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,840 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,840 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,840 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:21,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:21,841 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:21,856 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,857 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,857 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:21,857 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,857 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,857 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,858 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,859 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,859 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,859 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:21,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:21,859 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:21,875 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,875 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,875 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:21,876 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,876 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,876 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,878 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,878 - INFO - moving on ...
-2024-12-09 10:29:21,878 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:21,878 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,878 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,878 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,879 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,880 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,880 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,880 - INFO - moving on ...
-2024-12-09 10:29:21,880 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:21,880 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,880 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,880 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,881 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,881 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,881 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:21,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:21,882 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:21,898 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,898 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,898 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:21,898 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,899 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,899 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,901 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,901 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,901 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:21,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:21,901 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:21,917 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,917 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,917 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:21,917 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,919 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,919 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,919 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,919 - INFO - moving on ...
-2024-12-09 10:29:21,919 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:21,919 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,919 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,919 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,921 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,921 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,921 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,921 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,921 - INFO - moving on ...
-2024-12-09 10:29:21,921 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:21,921 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,922 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,922 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,923 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,923 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,923 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:21,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:21,923 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:21,939 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,940 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,940 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:21,940 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,940 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,940 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,942 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,942 - INFO - number of supporting files: 1
-2024-12-09 10:29:21,942 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:21,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:21,942 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:21,958 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,959 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,959 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:21,959 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,959 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,959 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,961 - INFO - number of orbitals:  68
-2024-12-09 10:29:21,961 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,961 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,961 - INFO - moving on ...
-2024-12-09 10:29:21,961 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:21,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:21,961 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:21,961 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:21,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,963 - INFO - number of orbitals:  76
-2024-12-09 10:29:21,963 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,963 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,963 - INFO - moving on ...
-2024-12-09 10:29:21,963 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:21,964 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:21,964 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:21,964 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:21,964 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:21,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,965 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,965 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:21,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:21,965 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:21,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:21,981 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:21,981 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:21,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:21,981 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:21,982 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:21,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,983 - INFO - number of orbitals:  55
-2024-12-09 10:29:21,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:21,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:21,983 - INFO - moving on ...
-2024-12-09 10:29:21,983 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:21,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:21,985 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:21,985 - INFO - number of supporting files: 2
-2024-12-09 10:29:21,985 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:21,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:21,985 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:22,001 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,002 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,002 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:22,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:22,002 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,002 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:22,002 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:22,002 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:22,002 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,002 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:22,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,004 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,004 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,004 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:22,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:22,004 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:22,021 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,021 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,022 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:22,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:22,022 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,022 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:22,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,023 - INFO - number of orbitals:  110
-2024-12-09 10:29:22,023 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,023 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,024 - INFO - moving on ...
-2024-12-09 10:29:22,024 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:22,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,025 - INFO - number of orbitals:  60
-2024-12-09 10:29:22,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,025 - INFO - moving on ...
-2024-12-09 10:29:22,025 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:22,025 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:22,025 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:22,025 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,025 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:22,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,027 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,027 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:22,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:22,027 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:22,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,044 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,044 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:22,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:22,044 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,044 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:22,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,045 - INFO - number of orbitals:  110
-2024-12-09 10:29:22,045 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,046 - INFO - moving on ...
-2024-12-09 10:29:22,046 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:22,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,047 - INFO - number of orbitals:  60
-2024-12-09 10:29:22,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,047 - INFO - moving on ...
-2024-12-09 10:29:22,047 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:22,047 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:22,047 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:22,047 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,047 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:22,047 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,048 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,048 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,049 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,049 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,049 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,049 - INFO - moving on ...
-2024-12-09 10:29:22,050 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:22,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,051 - INFO - number of orbitals:  53
-2024-12-09 10:29:22,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,051 - INFO - moving on ...
-2024-12-09 10:29:22,052 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:22,052 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,053 - INFO - number of orbitals:  58
-2024-12-09 10:29:22,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,053 - INFO - moving on ...
-2024-12-09 10:29:22,053 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:22,054 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,054 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,054 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,055 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,055 - INFO - number of orbitals:  44
-2024-12-09 10:29:22,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,056 - INFO - moving on ...
-2024-12-09 10:29:22,056 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:22,056 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,058 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,058 - INFO - moving on ...
-2024-12-09 10:29:22,058 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:22,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,060 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,060 - INFO - moving on ...
-2024-12-09 10:29:22,060 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:22,060 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,060 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,060 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,062 - INFO - number of orbitals:  44
-2024-12-09 10:29:22,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,062 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,062 - INFO - moving on ...
-2024-12-09 10:29:22,062 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:22,062 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,062 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,062 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,064 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,064 - INFO - moving on ...
-2024-12-09 10:29:22,064 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:22,064 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,066 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,066 - INFO - moving on ...
-2024-12-09 10:29:22,066 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:22,066 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:22,066 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:22,066 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,066 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:22,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,068 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,068 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,068 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,068 - INFO - moving on ...
-2024-12-09 10:29:22,068 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:22,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,069 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,069 - INFO - moving on ...
-2024-12-09 10:29:22,069 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:22,069 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:22,069 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:22,069 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,069 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:22,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,070 - INFO - number of orbitals:  76
-2024-12-09 10:29:22,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,071 - INFO - moving on ...
-2024-12-09 10:29:22,071 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:22,071 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:22,071 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:22,071 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,071 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:22,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,072 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,072 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:22,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:22,072 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:22,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,089 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,089 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:22,089 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:22,089 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:22,089 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,089 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:22,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,091 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,091 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:22,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:22,091 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:22,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,107 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,107 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:22,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:22,107 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,107 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:22,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,108 - INFO - number of orbitals:  74
-2024-12-09 10:29:22,108 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,109 - INFO - moving on ...
-2024-12-09 10:29:22,109 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:22,109 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:22,109 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:22,109 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,109 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:22,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,110 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,110 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,110 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:22,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:22,110 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:22,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,126 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,127 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:22,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:22,127 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,127 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:22,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,128 - INFO - number of orbitals:  90
-2024-12-09 10:29:22,128 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,128 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,128 - INFO - moving on ...
-2024-12-09 10:29:22,128 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:22,128 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:22,128 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:22,128 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,128 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:22,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,130 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,130 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,130 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,130 - INFO - moving on ...
-2024-12-09 10:29:22,130 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:22,130 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:22,130 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:22,130 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,130 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:22,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,131 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,131 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,131 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,131 - INFO - moving on ...
-2024-12-09 10:29:22,131 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:22,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,133 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,133 - INFO - moving on ...
-2024-12-09 10:29:22,133 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:22,133 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:22,133 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:22,133 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,133 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:22,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,134 - INFO - number of orbitals:  47
-2024-12-09 10:29:22,134 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,134 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,134 - INFO - moving on ...
-2024-12-09 10:29:22,134 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:22,135 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,136 - INFO - number of orbitals:  106
-2024-12-09 10:29:22,136 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,136 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,136 - INFO - moving on ...
-2024-12-09 10:29:22,136 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:22,136 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:22,136 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:22,136 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,136 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:22,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,137 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,137 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,137 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:22,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:22,137 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:22,154 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,154 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,154 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:22,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:22,154 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,154 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:22,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,156 - INFO - number of orbitals:  118
-2024-12-09 10:29:22,156 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,156 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,156 - INFO - moving on ...
-2024-12-09 10:29:22,156 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:22,157 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,157 - INFO - number of orbitals:  68
-2024-12-09 10:29:22,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,157 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,158 - INFO - moving on ...
-2024-12-09 10:29:22,158 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:22,158 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:22,158 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:22,158 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,158 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:22,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,159 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,159 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:22,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:22,159 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:22,176 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,176 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,176 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:22,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:22,176 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,176 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:22,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,178 - INFO - number of orbitals:  114
-2024-12-09 10:29:22,178 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,178 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,178 - INFO - moving on ...
-2024-12-09 10:29:22,178 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:22,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,179 - INFO - number of orbitals:  64
-2024-12-09 10:29:22,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,179 - INFO - moving on ...
-2024-12-09 10:29:22,179 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:22,180 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:22,180 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:22,180 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,180 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:22,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,181 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,181 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:22,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:22,181 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:22,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,198 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,198 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:22,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:22,198 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,198 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:22,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,200 - INFO - number of orbitals:  115
-2024-12-09 10:29:22,200 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,200 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,200 - INFO - moving on ...
-2024-12-09 10:29:22,200 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:22,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,201 - INFO - number of orbitals:  58
-2024-12-09 10:29:22,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,201 - INFO - moving on ...
-2024-12-09 10:29:22,201 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:22,202 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:22,202 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:22,202 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,202 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:22,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,203 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,203 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,203 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:22,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:22,203 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:22,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,220 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,220 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:22,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:22,220 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,220 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:22,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,221 - INFO - number of orbitals:  78
-2024-12-09 10:29:22,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,221 - INFO - moving on ...
-2024-12-09 10:29:22,221 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:22,221 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:22,222 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:22,222 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,222 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:22,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,223 - INFO - number of orbitals:  58
-2024-12-09 10:29:22,223 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,223 - INFO - moving on ...
-2024-12-09 10:29:22,223 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:22,223 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:22,223 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:22,223 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,223 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:22,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,224 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,224 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,224 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:22,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:22,225 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:22,240 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,241 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,241 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:22,241 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:22,241 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:22,241 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,241 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:22,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,243 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,243 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,243 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:22,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:22,243 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:22,259 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,260 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,260 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:22,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:22,260 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,260 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:22,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,261 - INFO - number of orbitals:  86
-2024-12-09 10:29:22,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,262 - INFO - moving on ...
-2024-12-09 10:29:22,262 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:22,262 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:22,262 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:22,262 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,262 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:22,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,263 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,263 - INFO - moving on ...
-2024-12-09 10:29:22,263 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:22,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,264 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,265 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,265 - INFO - moving on ...
-2024-12-09 10:29:22,265 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:22,265 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:22,265 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:22,265 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,265 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:22,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,266 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,266 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:22,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:22,266 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:22,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,283 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,283 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:22,283 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:22,283 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:22,283 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,283 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:22,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,284 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,285 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,285 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,285 - INFO - moving on ...
-2024-12-09 10:29:22,285 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:22,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,286 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,286 - INFO - moving on ...
-2024-12-09 10:29:22,286 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:22,286 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:22,286 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:22,286 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,286 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:22,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,288 - INFO - number of orbitals:  76
-2024-12-09 10:29:22,288 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,288 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,288 - INFO - moving on ...
-2024-12-09 10:29:22,288 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:22,288 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:22,288 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:22,288 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,288 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:22,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,289 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,289 - INFO - moving on ...
-2024-12-09 10:29:22,289 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:22,289 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:22,290 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:22,290 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,290 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:22,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,291 - INFO - number of orbitals:  48
-2024-12-09 10:29:22,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,291 - INFO - moving on ...
-2024-12-09 10:29:22,291 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:22,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,292 - INFO - number of orbitals:  116
-2024-12-09 10:29:22,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,292 - INFO - moving on ...
-2024-12-09 10:29:22,292 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:22,292 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:22,292 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:22,292 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,292 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:22,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,294 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,294 - INFO - moving on ...
-2024-12-09 10:29:22,294 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:22,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,295 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,295 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,295 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,295 - INFO - moving on ...
-2024-12-09 10:29:22,295 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:22,295 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:22,295 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:22,295 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,295 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:22,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,297 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,297 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,297 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:22,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:22,297 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:22,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,314 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,314 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:22,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:22,314 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,314 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:22,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,315 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,316 - INFO - moving on ...
-2024-12-09 10:29:22,316 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:22,316 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:22,316 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:22,316 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,316 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:22,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,317 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,317 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,317 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:22,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:22,317 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:22,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,334 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,334 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:22,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:22,334 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,334 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:22,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,336 - INFO - number of orbitals:  110
-2024-12-09 10:29:22,336 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,336 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,336 - INFO - moving on ...
-2024-12-09 10:29:22,336 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:22,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,337 - INFO - number of orbitals:  60
-2024-12-09 10:29:22,337 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,337 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,337 - INFO - moving on ...
-2024-12-09 10:29:22,337 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:22,337 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:22,337 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:22,337 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,337 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:22,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,339 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,339 - INFO - moving on ...
-2024-12-09 10:29:22,339 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:22,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,340 - INFO - number of orbitals:  135
-2024-12-09 10:29:22,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,340 - INFO - moving on ...
-2024-12-09 10:29:22,340 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:22,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,341 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,341 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,341 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,342 - INFO - moving on ...
-2024-12-09 10:29:22,342 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:22,342 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:22,342 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:22,342 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,342 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:22,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,343 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,343 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,343 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:22,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:22,343 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:22,360 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,360 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,361 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:22,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:22,361 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,361 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:22,362 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,362 - INFO - number of orbitals:  119
-2024-12-09 10:29:22,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,362 - INFO - moving on ...
-2024-12-09 10:29:22,362 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:22,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,364 - INFO - number of orbitals:  62
-2024-12-09 10:29:22,364 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,364 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,364 - INFO - moving on ...
-2024-12-09 10:29:22,364 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:22,364 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:22,364 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:22,364 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,364 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:22,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,365 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,365 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,365 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:22,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:22,366 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:22,382 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,382 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,382 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:22,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:22,382 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,382 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:22,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,384 - INFO - number of orbitals:  64
-2024-12-09 10:29:22,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,384 - INFO - moving on ...
-2024-12-09 10:29:22,384 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:22,384 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:22,384 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:22,384 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,384 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:22,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,385 - INFO - number of orbitals:  52
-2024-12-09 10:29:22,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,386 - INFO - moving on ...
-2024-12-09 10:29:22,386 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:22,386 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:22,386 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:22,386 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,386 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:22,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,387 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,387 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,387 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:22,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:22,387 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:22,403 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,404 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,404 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:22,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:22,404 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,404 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:22,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,406 - INFO - number of orbitals:  89
-2024-12-09 10:29:22,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,406 - INFO - moving on ...
-2024-12-09 10:29:22,406 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:22,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,407 - INFO - number of orbitals:  48
-2024-12-09 10:29:22,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,407 - INFO - moving on ...
-2024-12-09 10:29:22,407 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:22,407 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:22,407 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:22,407 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,408 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:22,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,409 - INFO - number of orbitals:  46
-2024-12-09 10:29:22,409 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,409 - INFO - moving on ...
-2024-12-09 10:29:22,409 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:22,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,410 - INFO - number of orbitals:  94
-2024-12-09 10:29:22,410 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,410 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,410 - INFO - moving on ...
-2024-12-09 10:29:22,410 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:22,410 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:22,410 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:22,410 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,410 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:22,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,412 - INFO - number of orbitals:  70
-2024-12-09 10:29:22,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,412 - INFO - moving on ...
-2024-12-09 10:29:22,412 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:22,412 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:22,412 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:22,412 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,412 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:22,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,413 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,413 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:22,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:22,413 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:22,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,431 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,431 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:22,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:22,431 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,431 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:22,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,433 - INFO - number of orbitals:  79
-2024-12-09 10:29:22,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,433 - INFO - moving on ...
-2024-12-09 10:29:22,433 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:22,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,434 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,434 - INFO - moving on ...
-2024-12-09 10:29:22,434 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:22,435 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:22,435 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:22,435 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,435 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:22,435 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,435 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,435 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,437 - INFO - number of orbitals:  42
-2024-12-09 10:29:22,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,437 - INFO - moving on ...
-2024-12-09 10:29:22,437 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:22,437 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,437 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,437 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,439 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,439 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,439 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:22,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:22,439 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:22,455 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,456 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,456 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:22,456 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,456 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,456 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,458 - INFO - number of orbitals:  90
-2024-12-09 10:29:22,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,458 - INFO - moving on ...
-2024-12-09 10:29:22,458 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:22,458 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,458 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,458 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,460 - INFO - number of orbitals:  42
-2024-12-09 10:29:22,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,460 - INFO - moving on ...
-2024-12-09 10:29:22,460 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:22,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,462 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,462 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,462 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:22,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:22,462 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:22,478 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,478 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,478 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:22,479 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,479 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,479 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,481 - INFO - number of orbitals:  90
-2024-12-09 10:29:22,481 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,481 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,481 - INFO - moving on ...
-2024-12-09 10:29:22,481 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:22,481 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:22,481 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:22,481 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,481 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:22,482 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,482 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,482 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,482 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:22,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:22,483 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:22,498 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,499 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,499 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:22,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:22,499 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,499 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:22,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,501 - INFO - number of orbitals:  115
-2024-12-09 10:29:22,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,501 - INFO - moving on ...
-2024-12-09 10:29:22,501 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:22,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,502 - INFO - number of orbitals:  58
-2024-12-09 10:29:22,502 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,502 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,502 - INFO - moving on ...
-2024-12-09 10:29:22,502 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:22,502 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:22,502 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:22,502 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,502 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:22,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,504 - INFO - number of orbitals:  76
-2024-12-09 10:29:22,504 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,504 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,504 - INFO - moving on ...
-2024-12-09 10:29:22,504 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:22,504 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:22,504 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:22,504 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,504 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:22,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,505 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,505 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,505 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:22,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:22,505 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:22,522 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,522 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,522 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:22,522 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:22,522 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:22,522 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,523 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:22,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,524 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,525 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,525 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,525 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:22,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:22,525 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:22,541 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,542 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,542 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:22,542 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,542 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,542 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,544 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,544 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:22,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:22,544 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:22,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,561 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,561 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:22,561 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,564 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,564 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,564 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:22,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:22,564 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:22,581 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,581 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,581 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:22,581 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,581 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,581 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,583 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,583 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,584 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:22,584 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:22,584 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:22,602 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,602 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,602 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:22,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,602 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,602 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,603 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,604 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,604 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:22,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:22,604 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:22,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,621 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,621 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:22,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,621 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,621 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,623 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,623 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,623 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:22,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:22,624 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:22,640 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,640 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,640 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:22,640 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:22,641 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:22,641 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,641 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:22,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,643 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,643 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,643 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,643 - INFO - moving on ...
-2024-12-09 10:29:22,643 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:22,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,645 - INFO - number of orbitals:  70
-2024-12-09 10:29:22,645 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,645 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,645 - INFO - moving on ...
-2024-12-09 10:29:22,645 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:22,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,647 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,648 - INFO - moving on ...
-2024-12-09 10:29:22,648 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:22,648 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:22,648 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:22,648 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,648 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:22,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,649 - INFO - number of orbitals:  76
-2024-12-09 10:29:22,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,649 - INFO - moving on ...
-2024-12-09 10:29:22,649 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:22,650 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:22,650 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:22,650 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,650 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:22,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,650 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,650 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,652 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,652 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,652 - INFO - moving on ...
-2024-12-09 10:29:22,652 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:22,652 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,652 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,652 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,654 - INFO - number of orbitals:  70
-2024-12-09 10:29:22,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,654 - INFO - moving on ...
-2024-12-09 10:29:22,654 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:22,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,656 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,656 - INFO - moving on ...
-2024-12-09 10:29:22,656 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:22,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,656 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,656 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,658 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,658 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,658 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,658 - INFO - moving on ...
-2024-12-09 10:29:22,658 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:22,658 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,658 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,658 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,660 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,660 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,660 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:22,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:22,660 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:22,676 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,677 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,677 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:22,677 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,677 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,677 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,679 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,679 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,679 - INFO - moving on ...
-2024-12-09 10:29:22,680 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:22,680 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,680 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,680 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,681 - INFO - number of orbitals:  55
-2024-12-09 10:29:22,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,681 - INFO - moving on ...
-2024-12-09 10:29:22,682 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:22,682 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,682 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,682 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,683 - INFO - number of orbitals:  69
-2024-12-09 10:29:22,683 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,683 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,684 - INFO - moving on ...
-2024-12-09 10:29:22,684 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:22,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,685 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,685 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,685 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:22,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:22,686 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:22,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,702 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,702 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:22,702 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,704 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,704 - INFO - moving on ...
-2024-12-09 10:29:22,705 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:22,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,706 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,706 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,706 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:22,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:22,707 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:22,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,723 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,723 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:22,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,725 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,725 - INFO - moving on ...
-2024-12-09 10:29:22,725 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:22,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,727 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,727 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,727 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:22,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:22,727 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:22,743 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,743 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,743 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:22,743 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,743 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,743 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,745 - INFO - number of orbitals:  45
-2024-12-09 10:29:22,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,745 - INFO - moving on ...
-2024-12-09 10:29:22,745 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:22,745 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,745 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,745 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,747 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,747 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,747 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:22,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:22,747 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:22,763 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,764 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,764 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:22,764 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,764 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,764 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,766 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,766 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,766 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:22,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:22,766 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:22,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,783 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,783 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:22,783 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:22,783 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:22,784 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,784 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:22,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,785 - INFO - number of orbitals:  42
-2024-12-09 10:29:22,785 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,785 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,785 - INFO - moving on ...
-2024-12-09 10:29:22,785 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:22,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,786 - INFO - number of orbitals:  90
-2024-12-09 10:29:22,787 - INFO - too many orbitals!  we are only considering max_num_orbitals 40.
-2024-12-09 10:29:22,787 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,787 - INFO - moving on ...
-2024-12-09 10:29:22,787 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:22,787 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:22,787 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:22,787 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,787 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:22,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,788 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,788 - INFO - number of supporting files: 2
-2024-12-09 10:29:22,788 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:22,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:22,788 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:22,806 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,807 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,807 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:22,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:22,807 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:22,807 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:22,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,809 - INFO - number of orbitals:  118
-2024-12-09 10:29:22,809 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,809 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,809 - INFO - moving on ...
-2024-12-09 10:29:22,809 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:22,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,810 - INFO - number of orbitals:  68
-2024-12-09 10:29:22,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,810 - INFO - moving on ...
-2024-12-09 10:29:22,810 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:22,810 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:22,810 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:22,811 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,811 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:22,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,812 - INFO - number of orbitals:  54
-2024-12-09 10:29:22,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,812 - INFO - moving on ...
-2024-12-09 10:29:22,812 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:22,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,813 - INFO - number of orbitals:  88
-2024-12-09 10:29:22,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,813 - INFO - moving on ...
-2024-12-09 10:29:22,813 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:22,813 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:22,814 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:22,814 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,814 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:22,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,815 - INFO - number of orbitals:  66
-2024-12-09 10:29:22,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:22,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:22,815 - INFO - moving on ...
-2024-12-09 10:29:22,815 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:22,815 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:22,815 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:22,816 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:22,816 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:22,816 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,816 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,816 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,817 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,817 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,818 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:22,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:22,818 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:22,834 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,834 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,834 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:22,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,836 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,836 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:22,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:22,836 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:22,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,852 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,852 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:22,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,854 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,854 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,854 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:22,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:22,854 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:22,870 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,870 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,870 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:22,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,872 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,872 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:22,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:22,873 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:22,888 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,888 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,888 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:22,888 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,890 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,890 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:22,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:22,891 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:22,906 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,906 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,906 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:22,906 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,907 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,907 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,908 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,908 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,908 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:22,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:22,909 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:22,924 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,924 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,925 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:22,925 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,925 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,927 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,927 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:22,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:22,927 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:22,943 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,943 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,943 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:22,943 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,943 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,945 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,946 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:22,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:22,946 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:22,961 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,962 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,962 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:22,962 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,964 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,964 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,964 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:22,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:22,964 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:22,980 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,980 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,980 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:22,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,980 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:22,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:22,982 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:22,982 - INFO - number of supporting files: 1
-2024-12-09 10:29:22,982 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:22,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:22,983 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:22,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:22,999 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:22,999 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:22,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:22,999 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:22,999 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,001 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,001 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,001 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:23,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:23,001 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,017 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,017 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,017 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:23,018 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,018 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,018 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,020 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,020 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,020 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:23,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:23,020 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:23,036 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,036 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,036 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:23,036 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:23,036 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:23,036 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,036 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:23,037 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,037 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,037 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,038 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,039 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,039 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:23,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:23,039 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:23,055 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,055 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,055 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:23,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,056 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,056 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,057 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,058 - INFO - number of orbitals:  108
-2024-12-09 10:29:23,058 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,058 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,058 - INFO - moving on ...
-2024-12-09 10:29:23,058 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:23,058 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:23,058 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:23,058 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,058 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:23,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,060 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,060 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,060 - INFO - moving on ...
-2024-12-09 10:29:23,060 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:23,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,061 - INFO - number of orbitals:  135
-2024-12-09 10:29:23,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,061 - INFO - moving on ...
-2024-12-09 10:29:23,061 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:23,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,062 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,062 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,063 - INFO - moving on ...
-2024-12-09 10:29:23,063 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:23,063 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:23,063 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:23,063 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,063 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:23,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,064 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,064 - INFO - moving on ...
-2024-12-09 10:29:23,064 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:23,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,065 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,066 - INFO - moving on ...
-2024-12-09 10:29:23,066 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:23,066 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:23,066 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:23,066 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,066 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:23,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,067 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,067 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,067 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,067 - INFO - moving on ...
-2024-12-09 10:29:23,068 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:23,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,069 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,069 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,069 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,069 - INFO - moving on ...
-2024-12-09 10:29:23,069 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:23,070 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:23,070 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:23,070 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,070 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:23,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,071 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,071 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,071 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,072 - INFO - moving on ...
-2024-12-09 10:29:23,072 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:23,072 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:23,072 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:23,072 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,072 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:23,073 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,074 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,074 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,074 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,074 - INFO - moving on ...
-2024-12-09 10:29:23,074 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:23,074 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:23,074 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:23,074 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,074 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:23,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,076 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,076 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,076 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:23,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:23,077 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:23,094 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,095 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,095 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:23,095 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:23,095 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,095 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:23,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,096 - INFO - number of orbitals:  118
-2024-12-09 10:29:23,096 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,096 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,096 - INFO - moving on ...
-2024-12-09 10:29:23,097 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:23,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,098 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,098 - INFO - moving on ...
-2024-12-09 10:29:23,098 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:23,098 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:23,098 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:23,098 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,098 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:23,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,100 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,100 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,100 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:23,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:23,100 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,116 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,116 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,116 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:23,116 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,116 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,116 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,118 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,118 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,118 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:23,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:23,119 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:23,134 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,135 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,135 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:23,135 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,135 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,135 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,137 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,137 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,137 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:23,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:23,137 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:23,152 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,153 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,153 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:23,153 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,153 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,153 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,155 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,155 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,155 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:23,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:23,155 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,171 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,172 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,172 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:23,172 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,172 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,172 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,174 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,174 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,174 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:23,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:23,174 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:23,190 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,190 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,191 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:23,191 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,191 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,191 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,193 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,193 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,193 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:23,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:23,193 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:23,209 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,209 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,210 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:23,210 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,210 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,210 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,212 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,212 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,212 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:23,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:23,212 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:23,227 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,228 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,228 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:23,228 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,228 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,228 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,230 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,230 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,230 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:23,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:23,230 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:23,245 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,246 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,246 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:23,246 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:23,246 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:23,246 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,246 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:23,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,247 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,247 - INFO - moving on ...
-2024-12-09 10:29:23,248 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:23,248 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:23,248 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:23,248 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,248 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:23,249 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,249 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,249 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,249 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:23,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:23,249 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:23,264 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,265 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,265 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:23,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:23,265 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,265 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:23,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,267 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,267 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,267 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,267 - INFO - moving on ...
-2024-12-09 10:29:23,267 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:23,267 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:23,267 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:23,267 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,267 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:23,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,268 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,268 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,268 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:23,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:23,268 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:23,284 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,284 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,284 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:23,284 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:23,284 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,285 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:23,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,286 - INFO - number of orbitals:  119
-2024-12-09 10:29:23,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,286 - INFO - moving on ...
-2024-12-09 10:29:23,286 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:23,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,287 - INFO - number of orbitals:  62
-2024-12-09 10:29:23,287 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,287 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,287 - INFO - moving on ...
-2024-12-09 10:29:23,287 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:23,288 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:23,288 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:23,288 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,288 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:23,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,289 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,289 - INFO - moving on ...
-2024-12-09 10:29:23,289 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:23,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,290 - INFO - number of orbitals:  135
-2024-12-09 10:29:23,291 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,291 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,291 - INFO - moving on ...
-2024-12-09 10:29:23,291 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:23,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,292 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,292 - INFO - moving on ...
-2024-12-09 10:29:23,292 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:23,292 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:23,292 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:23,292 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,292 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:23,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,294 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,294 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,294 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:23,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:23,294 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:23,309 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,310 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,310 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:23,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:23,310 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,310 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:23,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,311 - INFO - number of orbitals:  118
-2024-12-09 10:29:23,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,311 - INFO - moving on ...
-2024-12-09 10:29:23,311 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:23,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,312 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,313 - INFO - moving on ...
-2024-12-09 10:29:23,313 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:23,313 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:23,313 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:23,313 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,313 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:23,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,314 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,314 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,314 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:23,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:23,314 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:23,330 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,331 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,331 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:23,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:23,331 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,331 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:23,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,332 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,332 - INFO - moving on ...
-2024-12-09 10:29:23,332 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:23,333 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:23,333 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:23,333 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,333 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:23,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,334 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,334 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,334 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:23,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:23,334 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:23,349 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,350 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,350 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:23,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:23,350 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,350 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:23,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,351 - INFO - number of orbitals:  110
-2024-12-09 10:29:23,351 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,351 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,351 - INFO - moving on ...
-2024-12-09 10:29:23,351 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:23,352 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,353 - INFO - number of orbitals:  60
-2024-12-09 10:29:23,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,353 - INFO - moving on ...
-2024-12-09 10:29:23,353 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:23,353 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:23,353 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:23,353 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,353 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:23,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,354 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,354 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,354 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:23,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:23,354 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:23,370 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,370 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,370 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:23,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:23,370 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,370 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:23,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,372 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,372 - INFO - moving on ...
-2024-12-09 10:29:23,372 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:23,372 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:23,372 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:23,372 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,372 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:23,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,373 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,373 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,374 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:23,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:23,374 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:23,389 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,389 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,389 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:23,390 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:23,390 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:23,390 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,390 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:23,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,391 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,391 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,391 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,391 - INFO - moving on ...
-2024-12-09 10:29:23,391 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:23,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,392 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,392 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,393 - INFO - moving on ...
-2024-12-09 10:29:23,393 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:23,393 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:23,393 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:23,393 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,393 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:23,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,394 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,394 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:23,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:23,394 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:23,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,410 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,411 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:23,411 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:23,411 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:23,411 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,411 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:23,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,413 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,413 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:23,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:23,413 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:23,429 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,430 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,430 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:23,430 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,430 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,430 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,432 - INFO - number of orbitals:  46
-2024-12-09 10:29:23,432 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,432 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,432 - INFO - moving on ...
-2024-12-09 10:29:23,432 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:23,432 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,432 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,432 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,434 - INFO - number of orbitals:  46
-2024-12-09 10:29:23,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,434 - INFO - moving on ...
-2024-12-09 10:29:23,434 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:23,434 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,434 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,434 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,436 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,436 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,436 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:23,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:23,436 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:23,452 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,453 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,453 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:23,453 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:23,453 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:23,453 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,453 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:23,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,454 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,454 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,454 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:23,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:23,455 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:23,470 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,470 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,470 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:23,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:23,470 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,471 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:23,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,472 - INFO - number of orbitals:  85
-2024-12-09 10:29:23,472 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,472 - INFO - moving on ...
-2024-12-09 10:29:23,472 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:23,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,473 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,473 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,473 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:23,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:23,473 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,488 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,489 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,489 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:23,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:23,489 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,489 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:23,489 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:23,489 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:23,489 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,489 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:23,490 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,491 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,491 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,491 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:23,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:23,491 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,506 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,506 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,507 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:23,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:23,507 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,507 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:23,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,508 - INFO - number of orbitals:  110
-2024-12-09 10:29:23,508 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,508 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,508 - INFO - moving on ...
-2024-12-09 10:29:23,508 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:23,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,509 - INFO - number of orbitals:  60
-2024-12-09 10:29:23,509 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,509 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,510 - INFO - moving on ...
-2024-12-09 10:29:23,510 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:23,510 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:23,510 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:23,510 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,510 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:23,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,511 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,511 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,511 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:23,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:23,511 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:23,527 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,527 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,527 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:23,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:23,528 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,528 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:23,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,529 - INFO - number of orbitals:  85
-2024-12-09 10:29:23,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,529 - INFO - moving on ...
-2024-12-09 10:29:23,529 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:23,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,531 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,531 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,531 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:23,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:23,531 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:23,547 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,548 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,548 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:23,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:23,548 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,548 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:23,548 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:23,548 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:23,548 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,548 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:23,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,550 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,550 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,550 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,550 - INFO - moving on ...
-2024-12-09 10:29:23,550 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:23,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,551 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,551 - INFO - moving on ...
-2024-12-09 10:29:23,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:23,552 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:23,552 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:23,552 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,552 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:23,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,553 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,553 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,553 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:23,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:23,553 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:23,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,569 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,569 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:23,570 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:23,570 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:23,570 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,570 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:23,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,572 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,572 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:23,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:23,572 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:23,588 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,588 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,588 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:23,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,589 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,589 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,590 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,590 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:23,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:23,590 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:23,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,608 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,608 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:23,608 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,608 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,608 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,610 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,610 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,610 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:23,610 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:23,610 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:23,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,627 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,627 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:23,627 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,627 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,627 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,629 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,629 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,629 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:23,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:23,629 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:23,646 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,646 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,646 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:23,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,646 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,648 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,648 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:23,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:23,648 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:23,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,664 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,664 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:23,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,666 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,666 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:23,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:23,667 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:23,683 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,683 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,683 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:23,683 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,683 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,686 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,686 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,686 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:23,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:23,686 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:23,704 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,705 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,705 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:23,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,708 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,708 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,708 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:23,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:23,708 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:23,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,728 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,728 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:23,728 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,728 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,728 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,730 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,730 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,730 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:23,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:23,730 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:23,746 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,747 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,747 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:23,747 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:23,747 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:23,747 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,747 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:23,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,748 - INFO - number of orbitals:  54
-2024-12-09 10:29:23,748 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,749 - INFO - moving on ...
-2024-12-09 10:29:23,749 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:23,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,750 - INFO - number of orbitals:  88
-2024-12-09 10:29:23,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,750 - INFO - moving on ...
-2024-12-09 10:29:23,750 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:23,750 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:23,750 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:23,750 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,750 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:23,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,751 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,751 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,751 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:23,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:23,751 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:23,767 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,767 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,767 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:23,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:23,767 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,767 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:23,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,769 - INFO - number of orbitals:  72
-2024-12-09 10:29:23,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,769 - INFO - moving on ...
-2024-12-09 10:29:23,769 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:23,769 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:23,769 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:23,769 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,769 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:23,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,770 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,770 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,770 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:23,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:23,771 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:23,786 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,786 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,786 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:23,787 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:23,787 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:23,787 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,787 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:23,788 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,788 - INFO - number of orbitals:  48
-2024-12-09 10:29:23,788 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,788 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,788 - INFO - moving on ...
-2024-12-09 10:29:23,788 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:23,789 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:23,789 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:23,789 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,789 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:23,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,790 - INFO - number of orbitals:  48
-2024-12-09 10:29:23,790 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,790 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,790 - INFO - moving on ...
-2024-12-09 10:29:23,790 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:23,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,792 - INFO - number of orbitals:  116
-2024-12-09 10:29:23,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,792 - INFO - moving on ...
-2024-12-09 10:29:23,792 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:23,792 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:23,792 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:23,792 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,792 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:23,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,793 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,793 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,793 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:23,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:23,794 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:23,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,810 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,810 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:23,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:23,811 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,811 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:23,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,812 - INFO - number of orbitals:  79
-2024-12-09 10:29:23,812 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,812 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,812 - INFO - moving on ...
-2024-12-09 10:29:23,812 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:23,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,813 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,813 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,813 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:23,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:23,814 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:23,830 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,830 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,830 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:23,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:23,830 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,830 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:23,831 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:23,831 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:23,831 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,831 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:23,831 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,831 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,831 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,833 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,833 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,833 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:23,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:23,833 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:23,849 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,849 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,849 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:23,849 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,849 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,850 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,851 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,851 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,851 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:23,852 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:23,852 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:23,868 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,868 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,868 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:23,868 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,868 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,868 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,870 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,870 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,870 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,870 - INFO - moving on ...
-2024-12-09 10:29:23,870 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:23,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,872 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,872 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,872 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,872 - INFO - moving on ...
-2024-12-09 10:29:23,872 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:23,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,874 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:23,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:23,874 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:23,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,891 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,891 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:23,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,893 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,893 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:23,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:23,893 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:23,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,909 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,909 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:23,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,910 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,910 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,911 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,912 - INFO - moving on ...
-2024-12-09 10:29:23,912 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:23,912 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,912 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,912 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,913 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,914 - INFO - moving on ...
-2024-12-09 10:29:23,914 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:23,914 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,914 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,914 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,915 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,915 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,915 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:23,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:23,915 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:23,931 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,932 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,932 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:23,932 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,932 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,932 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,934 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,934 - INFO - number of supporting files: 1
-2024-12-09 10:29:23,934 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:23,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:23,934 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:23,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,950 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,950 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:23,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,953 - INFO - number of orbitals:  68
-2024-12-09 10:29:23,953 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,953 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,953 - INFO - moving on ...
-2024-12-09 10:29:23,953 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:23,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:23,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:23,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:23,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,955 - INFO - number of orbitals:  76
-2024-12-09 10:29:23,955 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,955 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,955 - INFO - moving on ...
-2024-12-09 10:29:23,955 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:23,955 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:23,955 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:23,955 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,955 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:23,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,956 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,957 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,957 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:23,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:23,957 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:23,972 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,973 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,973 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:23,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:23,973 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,973 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:23,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,974 - INFO - number of orbitals:  55
-2024-12-09 10:29:23,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:23,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:23,974 - INFO - moving on ...
-2024-12-09 10:29:23,974 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:23,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,976 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,976 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,976 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:23,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:23,976 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:23,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:23,991 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:23,992 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:23,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:23,992 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:23,992 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:23,992 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:23,992 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:23,992 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:23,992 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:23,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:23,993 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:23,993 - INFO - number of supporting files: 2
-2024-12-09 10:29:23,993 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:23,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:23,994 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:24,009 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,009 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,010 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:24,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:24,010 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,010 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:24,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,012 - INFO - number of orbitals:  110
-2024-12-09 10:29:24,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,012 - INFO - moving on ...
-2024-12-09 10:29:24,012 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:24,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,013 - INFO - number of orbitals:  60
-2024-12-09 10:29:24,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,013 - INFO - moving on ...
-2024-12-09 10:29:24,013 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:24,014 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:24,014 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:24,014 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,014 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:24,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,015 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,015 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,015 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:24,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:24,015 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:24,031 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,031 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,031 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:24,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:24,031 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,031 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:24,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,033 - INFO - number of orbitals:  110
-2024-12-09 10:29:24,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,033 - INFO - moving on ...
-2024-12-09 10:29:24,033 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:24,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,034 - INFO - number of orbitals:  60
-2024-12-09 10:29:24,034 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,034 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,034 - INFO - moving on ...
-2024-12-09 10:29:24,034 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:24,034 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:24,035 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:24,035 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,035 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:24,035 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,035 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,035 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,036 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,037 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,037 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:24,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:24,037 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:24,052 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,053 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,053 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:24,053 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,053 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,053 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,055 - INFO - number of orbitals:  53
-2024-12-09 10:29:24,055 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,055 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,055 - INFO - moving on ...
-2024-12-09 10:29:24,055 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:24,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,055 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,055 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,057 - INFO - number of orbitals:  58
-2024-12-09 10:29:24,057 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,057 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,057 - INFO - moving on ...
-2024-12-09 10:29:24,057 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:24,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,057 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,059 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,059 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,059 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:24,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:24,059 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:24,074 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,075 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,075 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:24,075 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,075 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,075 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,076 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,077 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,077 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,077 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,077 - INFO - moving on ...
-2024-12-09 10:29:24,077 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:24,077 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,077 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,077 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,079 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,079 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,079 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,079 - INFO - moving on ...
-2024-12-09 10:29:24,079 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:24,079 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,079 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,079 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,081 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,081 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,081 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:24,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:24,081 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:24,096 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,097 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,097 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:24,097 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,097 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,097 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,099 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,099 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,099 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,099 - INFO - moving on ...
-2024-12-09 10:29:24,099 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:24,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,101 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,101 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,101 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,101 - INFO - moving on ...
-2024-12-09 10:29:24,101 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:24,101 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:24,101 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:24,101 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,101 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:24,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,102 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,103 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,103 - INFO - moving on ...
-2024-12-09 10:29:24,103 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:24,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,104 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,104 - INFO - moving on ...
-2024-12-09 10:29:24,104 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:24,104 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:24,104 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:24,104 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,104 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:24,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,105 - INFO - number of orbitals:  76
-2024-12-09 10:29:24,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,105 - INFO - moving on ...
-2024-12-09 10:29:24,105 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:24,106 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:24,106 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:24,106 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,106 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:24,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,107 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,107 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,107 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:24,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:24,107 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:24,122 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,122 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,122 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:24,123 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:24,123 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:24,123 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,123 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:24,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,124 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,124 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,124 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:24,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:24,124 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:24,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,140 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,140 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:24,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:24,140 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,140 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:24,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,141 - INFO - number of orbitals:  74
-2024-12-09 10:29:24,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,142 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,142 - INFO - moving on ...
-2024-12-09 10:29:24,142 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:24,142 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:24,142 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:24,142 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,142 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:24,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,143 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,143 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,143 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:24,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:24,143 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:24,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,160 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,160 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:24,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:24,160 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,160 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:24,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,162 - INFO - number of orbitals:  90
-2024-12-09 10:29:24,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,162 - INFO - moving on ...
-2024-12-09 10:29:24,162 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:24,162 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:24,162 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:24,162 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,162 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:24,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,163 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,163 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,163 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,163 - INFO - moving on ...
-2024-12-09 10:29:24,163 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:24,163 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:24,163 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:24,164 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,164 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:24,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,165 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,165 - INFO - moving on ...
-2024-12-09 10:29:24,165 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:24,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,166 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,166 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,166 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,166 - INFO - moving on ...
-2024-12-09 10:29:24,166 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:24,166 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:24,166 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:24,167 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,167 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:24,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,168 - INFO - number of orbitals:  47
-2024-12-09 10:29:24,168 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,168 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,168 - INFO - moving on ...
-2024-12-09 10:29:24,168 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:24,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,169 - INFO - number of orbitals:  106
-2024-12-09 10:29:24,169 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,169 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,169 - INFO - moving on ...
-2024-12-09 10:29:24,169 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:24,169 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:24,169 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:24,170 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,170 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:24,171 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,171 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,171 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,171 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:24,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:24,171 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:24,186 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,187 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,187 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:24,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:24,187 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,187 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:24,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,188 - INFO - number of orbitals:  118
-2024-12-09 10:29:24,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,189 - INFO - moving on ...
-2024-12-09 10:29:24,189 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:24,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,190 - INFO - number of orbitals:  68
-2024-12-09 10:29:24,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,190 - INFO - moving on ...
-2024-12-09 10:29:24,190 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:24,190 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:24,190 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:24,190 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,190 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:24,191 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,192 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,192 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,192 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:24,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:24,192 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:24,210 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,211 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,211 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:24,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:24,211 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,211 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:24,213 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,214 - INFO - number of orbitals:  114
-2024-12-09 10:29:24,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,214 - INFO - moving on ...
-2024-12-09 10:29:24,214 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:24,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,216 - INFO - number of orbitals:  64
-2024-12-09 10:29:24,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,216 - INFO - moving on ...
-2024-12-09 10:29:24,216 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:24,216 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:24,216 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:24,216 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,216 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:24,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,218 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,218 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:24,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:24,218 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:24,237 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,237 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,237 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:24,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:24,237 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,237 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:24,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,239 - INFO - number of orbitals:  115
-2024-12-09 10:29:24,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,239 - INFO - moving on ...
-2024-12-09 10:29:24,239 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:24,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,241 - INFO - number of orbitals:  58
-2024-12-09 10:29:24,241 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,241 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,241 - INFO - moving on ...
-2024-12-09 10:29:24,241 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:24,241 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:24,241 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:24,241 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,241 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:24,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,242 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,242 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:24,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:24,242 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:24,259 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,259 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,259 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:24,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:24,260 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,260 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:24,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,261 - INFO - number of orbitals:  78
-2024-12-09 10:29:24,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,261 - INFO - moving on ...
-2024-12-09 10:29:24,261 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:24,261 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:24,261 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:24,261 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,261 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:24,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,263 - INFO - number of orbitals:  58
-2024-12-09 10:29:24,263 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,263 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,263 - INFO - moving on ...
-2024-12-09 10:29:24,263 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:24,263 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:24,263 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:24,263 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,263 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:24,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,264 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,264 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,264 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:24,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:24,265 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:24,281 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,281 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,281 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:24,281 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:24,281 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:24,281 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,282 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:24,283 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,283 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,283 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,283 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:24,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:24,283 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:24,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,300 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,300 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:24,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:24,300 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,300 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:24,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,301 - INFO - number of orbitals:  86
-2024-12-09 10:29:24,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,301 - INFO - moving on ...
-2024-12-09 10:29:24,301 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:24,302 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:24,302 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:24,302 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,302 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:24,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,303 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,303 - INFO - moving on ...
-2024-12-09 10:29:24,303 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:24,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,304 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,304 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,304 - INFO - moving on ...
-2024-12-09 10:29:24,304 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:24,305 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:24,305 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:24,305 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,305 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:24,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,306 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,306 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,306 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:24,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:24,306 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:24,321 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,322 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,322 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:24,322 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:24,322 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:24,322 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,322 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:24,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,323 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,323 - INFO - moving on ...
-2024-12-09 10:29:24,324 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:24,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,325 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,325 - INFO - moving on ...
-2024-12-09 10:29:24,325 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:24,325 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:24,325 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:24,325 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,325 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:24,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,326 - INFO - number of orbitals:  76
-2024-12-09 10:29:24,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,327 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,327 - INFO - moving on ...
-2024-12-09 10:29:24,327 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:24,327 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:24,327 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:24,327 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,327 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:24,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,328 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,328 - INFO - moving on ...
-2024-12-09 10:29:24,328 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:24,328 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:24,328 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:24,328 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,328 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:24,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,330 - INFO - number of orbitals:  48
-2024-12-09 10:29:24,330 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,330 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,330 - INFO - moving on ...
-2024-12-09 10:29:24,330 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:24,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,331 - INFO - number of orbitals:  116
-2024-12-09 10:29:24,331 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,331 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,331 - INFO - moving on ...
-2024-12-09 10:29:24,331 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:24,331 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:24,331 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:24,331 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,331 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:24,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,333 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,333 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,333 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,333 - INFO - moving on ...
-2024-12-09 10:29:24,333 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:24,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,334 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,334 - INFO - moving on ...
-2024-12-09 10:29:24,334 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:24,334 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:24,334 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:24,334 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,334 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:24,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,336 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,336 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:24,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:24,336 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:24,352 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,352 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,352 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:24,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:24,352 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,352 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:24,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,354 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,354 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,354 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,354 - INFO - moving on ...
-2024-12-09 10:29:24,354 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:24,355 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:24,355 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:24,355 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,355 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:24,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,357 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,357 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:24,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:24,357 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:24,375 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,375 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,375 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:24,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:24,375 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,375 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:24,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,377 - INFO - number of orbitals:  110
-2024-12-09 10:29:24,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,377 - INFO - moving on ...
-2024-12-09 10:29:24,377 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:24,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,378 - INFO - number of orbitals:  60
-2024-12-09 10:29:24,378 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,378 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,378 - INFO - moving on ...
-2024-12-09 10:29:24,378 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:24,378 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:24,378 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:24,378 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,378 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:24,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,380 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,380 - INFO - moving on ...
-2024-12-09 10:29:24,380 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:24,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,381 - INFO - number of orbitals:  135
-2024-12-09 10:29:24,381 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,381 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,381 - INFO - moving on ...
-2024-12-09 10:29:24,381 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:24,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,382 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,383 - INFO - moving on ...
-2024-12-09 10:29:24,383 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:24,383 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:24,383 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:24,383 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,383 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:24,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,384 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,384 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,384 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:24,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:24,384 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:24,400 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,401 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,401 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:24,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:24,401 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,401 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:24,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,403 - INFO - number of orbitals:  119
-2024-12-09 10:29:24,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,403 - INFO - moving on ...
-2024-12-09 10:29:24,403 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:24,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,404 - INFO - number of orbitals:  62
-2024-12-09 10:29:24,404 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,404 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,404 - INFO - moving on ...
-2024-12-09 10:29:24,404 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:24,404 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:24,404 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:24,404 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,404 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:24,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,406 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,406 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,406 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:24,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:24,406 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:24,422 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,423 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,423 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:24,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:24,423 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,423 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:24,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,424 - INFO - number of orbitals:  64
-2024-12-09 10:29:24,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,425 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,425 - INFO - moving on ...
-2024-12-09 10:29:24,425 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:24,425 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:24,425 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:24,425 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,425 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:24,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,426 - INFO - number of orbitals:  52
-2024-12-09 10:29:24,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,426 - INFO - moving on ...
-2024-12-09 10:29:24,426 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:24,427 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:24,427 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:24,427 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,427 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:24,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,428 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,428 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:24,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:24,428 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:24,445 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,446 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,446 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:24,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:24,446 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,446 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:24,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,447 - INFO - number of orbitals:  89
-2024-12-09 10:29:24,448 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,448 - INFO - moving on ...
-2024-12-09 10:29:24,448 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:24,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,449 - INFO - number of orbitals:  48
-2024-12-09 10:29:24,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,449 - INFO - moving on ...
-2024-12-09 10:29:24,449 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:24,449 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:24,449 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:24,449 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,449 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:24,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,451 - INFO - number of orbitals:  46
-2024-12-09 10:29:24,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,451 - INFO - moving on ...
-2024-12-09 10:29:24,451 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:24,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,452 - INFO - number of orbitals:  94
-2024-12-09 10:29:24,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,452 - INFO - moving on ...
-2024-12-09 10:29:24,452 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:24,452 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:24,452 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:24,452 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,452 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:24,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,454 - INFO - number of orbitals:  70
-2024-12-09 10:29:24,454 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,454 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,454 - INFO - moving on ...
-2024-12-09 10:29:24,454 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:24,454 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:24,454 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:24,454 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,454 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:24,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,455 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,455 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,455 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:24,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:24,455 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:24,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,472 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,472 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:24,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:24,472 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,473 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:24,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,474 - INFO - number of orbitals:  79
-2024-12-09 10:29:24,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,474 - INFO - moving on ...
-2024-12-09 10:29:24,474 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:24,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,476 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,476 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,476 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:24,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:24,476 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:24,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,492 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,492 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:24,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:24,492 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,492 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:24,492 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:24,492 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:24,492 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,492 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:24,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,493 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,493 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,494 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,494 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,494 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:24,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:24,495 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:24,509 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,510 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,510 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:24,510 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,510 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,510 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,512 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,512 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,512 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:24,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:24,512 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:24,528 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,528 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,528 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:24,528 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,528 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,528 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,530 - INFO - number of orbitals:  90
-2024-12-09 10:29:24,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,530 - INFO - moving on ...
-2024-12-09 10:29:24,530 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:24,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,531 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,532 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,532 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,532 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:24,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:24,532 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:24,548 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,549 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,549 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:24,549 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,549 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,549 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,551 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,551 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,551 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:24,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:24,551 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:24,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,567 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,567 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:24,567 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,569 - INFO - number of orbitals:  90
-2024-12-09 10:29:24,569 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,569 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,569 - INFO - moving on ...
-2024-12-09 10:29:24,569 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:24,569 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:24,569 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:24,570 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,570 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:24,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,571 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,571 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,571 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:24,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:24,571 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:24,587 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,587 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,587 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:24,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:24,587 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,587 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:24,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,589 - INFO - number of orbitals:  115
-2024-12-09 10:29:24,589 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,589 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,589 - INFO - moving on ...
-2024-12-09 10:29:24,589 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:24,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,590 - INFO - number of orbitals:  58
-2024-12-09 10:29:24,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,590 - INFO - moving on ...
-2024-12-09 10:29:24,591 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:24,591 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:24,591 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:24,591 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,591 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:24,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,592 - INFO - number of orbitals:  76
-2024-12-09 10:29:24,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,592 - INFO - moving on ...
-2024-12-09 10:29:24,592 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:24,592 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:24,592 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:24,592 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,592 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:24,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,593 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,594 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,594 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:24,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:24,594 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:24,609 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,610 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,610 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:24,610 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:24,610 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:24,610 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,610 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:24,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,610 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,610 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,612 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:24,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:24,612 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:24,627 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,628 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,628 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:24,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,630 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,630 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,630 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:24,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:24,630 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:24,645 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,646 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,646 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:24,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,646 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,648 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,648 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:24,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:24,648 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:24,663 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,664 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,664 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:24,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,666 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,666 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:24,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:24,666 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:24,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,682 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,682 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:24,682 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,683 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,685 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,685 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,685 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:24,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:24,685 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:24,701 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,701 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,702 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:24,702 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,704 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,704 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,704 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:24,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:24,704 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:24,720 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,720 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,720 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:24,721 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:24,721 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:24,721 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,721 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:24,721 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,721 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,721 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,722 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,723 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,723 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,723 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,723 - INFO - moving on ...
-2024-12-09 10:29:24,723 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:24,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,725 - INFO - number of orbitals:  70
-2024-12-09 10:29:24,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,725 - INFO - moving on ...
-2024-12-09 10:29:24,725 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:24,725 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,725 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,725 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,727 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,727 - INFO - moving on ...
-2024-12-09 10:29:24,727 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:24,727 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:24,727 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:24,727 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,727 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:24,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,728 - INFO - number of orbitals:  76
-2024-12-09 10:29:24,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,729 - INFO - moving on ...
-2024-12-09 10:29:24,729 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:24,729 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:24,729 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:24,729 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,729 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:24,729 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,729 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,729 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,731 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,731 - INFO - moving on ...
-2024-12-09 10:29:24,731 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:24,731 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,731 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,731 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,733 - INFO - number of orbitals:  70
-2024-12-09 10:29:24,733 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,733 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,733 - INFO - moving on ...
-2024-12-09 10:29:24,733 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:24,733 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,735 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,735 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,735 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,735 - INFO - moving on ...
-2024-12-09 10:29:24,735 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:24,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,737 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,737 - INFO - moving on ...
-2024-12-09 10:29:24,737 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:24,737 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,737 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,737 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,739 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,739 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,739 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:24,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:24,739 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:24,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,754 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,754 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:24,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,757 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,757 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:24,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:24,757 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:24,773 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,773 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,774 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:24,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,774 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,774 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,776 - INFO - number of orbitals:  55
-2024-12-09 10:29:24,776 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,776 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,776 - INFO - moving on ...
-2024-12-09 10:29:24,776 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:24,776 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,776 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,776 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,778 - INFO - number of orbitals:  69
-2024-12-09 10:29:24,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,778 - INFO - moving on ...
-2024-12-09 10:29:24,778 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:24,778 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,778 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,778 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,779 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,780 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,780 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,780 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:24,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:24,780 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:24,797 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,798 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,798 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:24,798 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,798 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,798 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,800 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,800 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,800 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:24,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:24,800 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:24,816 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,817 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,817 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:24,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,817 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,817 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,819 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,819 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,819 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:24,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:24,819 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:24,834 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,835 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,835 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:24,835 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,835 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,835 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,837 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,837 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,837 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:24,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:24,837 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:24,853 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,853 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,853 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:24,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,855 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,855 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:24,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:24,855 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:24,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,873 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,873 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:24,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,875 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,875 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:24,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:24,875 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:24,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,892 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,892 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:24,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,894 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,894 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:24,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:24,894 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:24,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,911 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,911 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:24,911 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,911 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,911 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,913 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,913 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:24,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:24,913 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:24,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,930 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,930 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:24,930 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:24,930 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:24,930 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,930 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:24,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,932 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,932 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:24,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:24,932 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:24,948 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,949 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,949 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:24,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:24,949 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,949 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:24,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,950 - INFO - number of orbitals:  90
-2024-12-09 10:29:24,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 45.
-2024-12-09 10:29:24,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,950 - INFO - moving on ...
-2024-12-09 10:29:24,950 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:24,951 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:24,951 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:24,951 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,951 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:24,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,952 - INFO - number of supporting files: 2
-2024-12-09 10:29:24,952 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:24,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:24,952 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:24,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,968 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,968 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:24,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:24,968 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:24,968 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:24,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,970 - INFO - number of orbitals:  118
-2024-12-09 10:29:24,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,970 - INFO - moving on ...
-2024-12-09 10:29:24,970 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:24,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,971 - INFO - number of orbitals:  68
-2024-12-09 10:29:24,971 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,971 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,971 - INFO - moving on ...
-2024-12-09 10:29:24,971 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:24,972 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:24,972 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:24,972 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,972 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:24,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,973 - INFO - number of orbitals:  54
-2024-12-09 10:29:24,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,973 - INFO - moving on ...
-2024-12-09 10:29:24,973 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:24,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,974 - INFO - number of orbitals:  88
-2024-12-09 10:29:24,974 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,974 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,974 - INFO - moving on ...
-2024-12-09 10:29:24,974 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:24,974 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:24,974 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:24,974 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,975 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:24,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,976 - INFO - number of orbitals:  66
-2024-12-09 10:29:24,976 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:24,976 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:24,976 - INFO - moving on ...
-2024-12-09 10:29:24,976 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:24,976 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:24,976 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:24,976 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:24,976 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:24,976 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,976 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,976 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,978 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,978 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,978 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:24,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:24,978 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:24,994 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:24,994 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:24,994 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:24,994 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:24,994 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:24,994 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:24,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:24,996 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:24,996 - INFO - number of supporting files: 1
-2024-12-09 10:29:24,996 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:24,996 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:24,996 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:25,013 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,014 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,014 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:25,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,016 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,016 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,016 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:25,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:25,016 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,032 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,033 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,033 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:25,033 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,033 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,033 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,035 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,035 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,035 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:25,035 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:25,035 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,051 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,051 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,051 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:25,051 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,054 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,054 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:25,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:25,054 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:25,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,070 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,070 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:25,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,072 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,072 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:25,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:25,072 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:25,087 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,088 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,088 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:25,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,090 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,090 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:25,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:25,090 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:25,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,107 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,107 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:25,107 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,107 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,107 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,109 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,109 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,109 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:25,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:25,109 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:25,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,126 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,127 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:25,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,129 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,129 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:25,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:25,129 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:25,146 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,146 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,146 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:25,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,146 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,146 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,149 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,149 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:25,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:25,149 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:25,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,165 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,165 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:25,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,167 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,168 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,168 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:25,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:25,168 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,184 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,185 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:25,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,187 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,187 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,187 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:25,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:25,187 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:25,203 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,203 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,203 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:25,204 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:25,204 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:25,204 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,204 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:25,204 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,204 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,204 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,206 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,206 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,206 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:25,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:25,206 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:25,222 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,223 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,223 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:25,223 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,223 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,223 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,225 - INFO - number of orbitals:  108
-2024-12-09 10:29:25,225 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,225 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,225 - INFO - moving on ...
-2024-12-09 10:29:25,225 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:25,225 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:25,225 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:25,225 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,225 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:25,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,227 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,227 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,227 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,227 - INFO - moving on ...
-2024-12-09 10:29:25,227 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:25,228 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,228 - INFO - number of orbitals:  135
-2024-12-09 10:29:25,228 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,228 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,228 - INFO - moving on ...
-2024-12-09 10:29:25,228 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:25,229 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,229 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,229 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,229 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,229 - INFO - moving on ...
-2024-12-09 10:29:25,229 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:25,230 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:25,230 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:25,230 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,230 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:25,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,231 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,231 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,231 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,231 - INFO - moving on ...
-2024-12-09 10:29:25,231 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:25,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,232 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,232 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,232 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,232 - INFO - moving on ...
-2024-12-09 10:29:25,232 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:25,232 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:25,233 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:25,233 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,233 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:25,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,234 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,234 - INFO - moving on ...
-2024-12-09 10:29:25,234 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:25,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,235 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,235 - INFO - moving on ...
-2024-12-09 10:29:25,235 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:25,236 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:25,236 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:25,236 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,236 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:25,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,237 - INFO - number of orbitals:  76
-2024-12-09 10:29:25,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,237 - INFO - moving on ...
-2024-12-09 10:29:25,237 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:25,237 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:25,237 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:25,237 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,237 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:25,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,239 - INFO - number of orbitals:  76
-2024-12-09 10:29:25,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,239 - INFO - moving on ...
-2024-12-09 10:29:25,239 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:25,239 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:25,239 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:25,239 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,239 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:25,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,240 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,240 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:25,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:25,241 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:25,256 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,257 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,257 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:25,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:25,257 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,257 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:25,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,259 - INFO - number of orbitals:  118
-2024-12-09 10:29:25,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,259 - INFO - moving on ...
-2024-12-09 10:29:25,259 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:25,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,260 - INFO - number of orbitals:  68
-2024-12-09 10:29:25,260 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,260 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,260 - INFO - moving on ...
-2024-12-09 10:29:25,260 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:25,261 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:25,261 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:25,261 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,261 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:25,261 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,261 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,261 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,262 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,263 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,263 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:25,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:25,263 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,278 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,279 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,279 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:25,279 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,279 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,279 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,281 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,281 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,281 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:25,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:25,281 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:25,297 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,298 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,298 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:25,298 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,298 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,298 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,300 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,300 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,300 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:25,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:25,300 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:25,317 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,317 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,317 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:25,317 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,317 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,317 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,319 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,319 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,319 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:25,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:25,319 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,335 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,336 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,336 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:25,336 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,336 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,336 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,338 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,338 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,338 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:25,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:25,338 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:25,355 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,356 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,356 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:25,356 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,356 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,356 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,358 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,358 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,358 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:25,358 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:25,358 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:25,374 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,375 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,375 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:25,375 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,375 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,375 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,377 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,377 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,377 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:25,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:25,377 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:25,393 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,393 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,393 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:25,393 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,395 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,395 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,395 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:25,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:25,396 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:25,411 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,411 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,411 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:25,411 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:25,411 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:25,411 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,411 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:25,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,413 - INFO - number of orbitals:  76
-2024-12-09 10:29:25,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,413 - INFO - moving on ...
-2024-12-09 10:29:25,413 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:25,413 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:25,413 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:25,413 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,413 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:25,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,415 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,415 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,415 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:25,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:25,415 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:25,432 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,432 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,432 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:25,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:25,433 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,433 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:25,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,434 - INFO - number of orbitals:  76
-2024-12-09 10:29:25,434 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,434 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,434 - INFO - moving on ...
-2024-12-09 10:29:25,434 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:25,434 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:25,435 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:25,435 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,435 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:25,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,436 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,436 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,436 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:25,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:25,436 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:25,452 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,453 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,453 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:25,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:25,453 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,453 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:25,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,455 - INFO - number of orbitals:  119
-2024-12-09 10:29:25,455 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,455 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,455 - INFO - moving on ...
-2024-12-09 10:29:25,455 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:25,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,456 - INFO - number of orbitals:  62
-2024-12-09 10:29:25,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,456 - INFO - moving on ...
-2024-12-09 10:29:25,456 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:25,456 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:25,456 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:25,456 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,456 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:25,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,457 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,458 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,458 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,458 - INFO - moving on ...
-2024-12-09 10:29:25,458 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:25,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,459 - INFO - number of orbitals:  135
-2024-12-09 10:29:25,459 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,459 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,459 - INFO - moving on ...
-2024-12-09 10:29:25,459 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:25,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,460 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,460 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,460 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,460 - INFO - moving on ...
-2024-12-09 10:29:25,460 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:25,460 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:25,460 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:25,460 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,460 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:25,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,462 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,462 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,462 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:25,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:25,462 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:25,477 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,477 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,477 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:25,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:25,477 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,477 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:25,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,479 - INFO - number of orbitals:  118
-2024-12-09 10:29:25,479 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,479 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,479 - INFO - moving on ...
-2024-12-09 10:29:25,479 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:25,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,480 - INFO - number of orbitals:  68
-2024-12-09 10:29:25,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,480 - INFO - moving on ...
-2024-12-09 10:29:25,480 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:25,480 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:25,480 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:25,480 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,480 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:25,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,481 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,482 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,482 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:25,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:25,482 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:25,497 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,497 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,497 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:25,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:25,497 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,497 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:25,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,499 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,499 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,499 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,499 - INFO - moving on ...
-2024-12-09 10:29:25,499 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:25,499 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:25,499 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:25,499 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,499 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:25,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,500 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,500 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,500 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:25,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:25,500 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:25,516 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,516 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,516 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:25,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:25,516 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,516 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:25,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,517 - INFO - number of orbitals:  110
-2024-12-09 10:29:25,518 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,518 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,518 - INFO - moving on ...
-2024-12-09 10:29:25,518 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:25,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,519 - INFO - number of orbitals:  60
-2024-12-09 10:29:25,519 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,519 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,519 - INFO - moving on ...
-2024-12-09 10:29:25,519 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:25,519 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:25,519 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:25,519 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,519 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:25,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,520 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,521 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,521 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:25,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:25,521 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:25,537 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,537 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,537 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:25,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:25,537 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,537 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:25,539 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,539 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,539 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,539 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,539 - INFO - moving on ...
-2024-12-09 10:29:25,539 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:25,539 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:25,539 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:25,539 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,539 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:25,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,540 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,541 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,541 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:25,541 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:25,541 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:25,556 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,557 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,557 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:25,557 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:25,557 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:25,557 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,557 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:25,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,559 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,559 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,559 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,559 - INFO - moving on ...
-2024-12-09 10:29:25,559 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:25,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,560 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,560 - INFO - moving on ...
-2024-12-09 10:29:25,560 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:25,560 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:25,560 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:25,560 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,560 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:25,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,562 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,562 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:25,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:25,562 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:25,578 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,578 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,578 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:25,579 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:25,579 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:25,579 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,579 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:25,579 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,579 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,579 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,581 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,581 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,581 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:25,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:25,581 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:25,597 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,598 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,598 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:25,598 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,598 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,598 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,600 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,600 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,600 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:25,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:25,600 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:25,616 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,617 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,617 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:25,617 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,617 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,617 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,619 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,619 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,619 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:25,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:25,619 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:25,634 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,635 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,635 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:25,635 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,635 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,635 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,637 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,637 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,637 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:25,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:25,637 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:25,653 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,653 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,653 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:25,653 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:25,654 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:25,654 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,654 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:25,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,655 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,655 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,655 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:25,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:25,655 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:25,670 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,670 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,670 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:25,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:25,671 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,671 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:25,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,672 - INFO - number of orbitals:  85
-2024-12-09 10:29:25,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,672 - INFO - moving on ...
-2024-12-09 10:29:25,672 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:25,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,673 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,673 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,673 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:25,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:25,673 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,689 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,689 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,689 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:25,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:25,689 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,689 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:25,690 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:25,690 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:25,690 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,690 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:25,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,691 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,691 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,691 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:25,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:25,691 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:25,707 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,707 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,707 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:25,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:25,708 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,708 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:25,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,709 - INFO - number of orbitals:  110
-2024-12-09 10:29:25,709 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,709 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,709 - INFO - moving on ...
-2024-12-09 10:29:25,709 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:25,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,710 - INFO - number of orbitals:  60
-2024-12-09 10:29:25,710 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,710 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,710 - INFO - moving on ...
-2024-12-09 10:29:25,710 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:25,711 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:25,711 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:25,711 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,711 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:25,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,712 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,712 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,712 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:25,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:25,712 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:25,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,728 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,728 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:25,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:25,728 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,728 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:25,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,730 - INFO - number of orbitals:  85
-2024-12-09 10:29:25,730 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,730 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,730 - INFO - moving on ...
-2024-12-09 10:29:25,730 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:25,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,731 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,731 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,731 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:25,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:25,731 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:25,747 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,748 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,748 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:25,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:25,748 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,748 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:25,748 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:25,748 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:25,748 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,748 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:25,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,750 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,750 - INFO - moving on ...
-2024-12-09 10:29:25,750 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:25,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,751 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,751 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,751 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,751 - INFO - moving on ...
-2024-12-09 10:29:25,751 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:25,751 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:25,751 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:25,751 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,751 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:25,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,753 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,753 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:25,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:25,753 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:25,768 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,769 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,769 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:25,769 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:25,769 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:25,769 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,769 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:25,769 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,769 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,769 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,771 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,771 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,771 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:25,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:25,771 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:25,787 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,788 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,788 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:25,788 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,788 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,788 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,790 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,790 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,790 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:25,790 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:25,790 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:25,806 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,807 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,807 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:25,807 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,807 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,807 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,809 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,809 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,809 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:25,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:25,809 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:25,825 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,825 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,825 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:25,825 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,827 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,828 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,828 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:25,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:25,828 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:25,843 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,844 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,844 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:25,844 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,844 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,844 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,846 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,846 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,846 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:25,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:25,846 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:25,862 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,863 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,863 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:25,863 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,863 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,863 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,864 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,865 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,865 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,865 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:25,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:25,865 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:25,881 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,882 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,882 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:25,882 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,882 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,882 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,883 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,884 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,884 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,884 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:25,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:25,884 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:25,900 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,900 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,901 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:25,901 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,901 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,901 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,903 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,903 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,903 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:25,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:25,903 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:25,919 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,919 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,919 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:25,919 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:25,919 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:25,919 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:25,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,921 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,921 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,921 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:25,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:25,921 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:25,937 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,937 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,937 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:25,938 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:25,938 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:25,938 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,938 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:25,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,939 - INFO - number of orbitals:  54
-2024-12-09 10:29:25,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,939 - INFO - moving on ...
-2024-12-09 10:29:25,939 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:25,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,941 - INFO - number of orbitals:  88
-2024-12-09 10:29:25,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,941 - INFO - moving on ...
-2024-12-09 10:29:25,941 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:25,941 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:25,942 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:25,942 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,942 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:25,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,943 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,943 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,943 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:25,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:25,943 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:25,960 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,960 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,960 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:25,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:25,960 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,960 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:25,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,962 - INFO - number of orbitals:  72
-2024-12-09 10:29:25,962 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:25,962 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:25,962 - INFO - moving on ...
-2024-12-09 10:29:25,962 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:25,962 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:25,962 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:25,962 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,962 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:25,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,964 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,964 - INFO - number of supporting files: 1
-2024-12-09 10:29:25,964 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:25,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:25,964 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:25,980 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,981 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,981 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:25,981 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:25,981 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:25,981 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:25,981 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:25,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:25,982 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:25,982 - INFO - number of supporting files: 2
-2024-12-09 10:29:25,983 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:25,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:25,983 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:25,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:25,999 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:25,999 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:25,999 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:25,999 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:25,999 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:25,999 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:25,999 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:25,999 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,000 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:26,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,001 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,001 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,001 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:26,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:26,001 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:26,017 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,018 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,018 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:26,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:26,018 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,018 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:26,019 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,019 - INFO - number of orbitals:  116
-2024-12-09 10:29:26,019 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,019 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,019 - INFO - moving on ...
-2024-12-09 10:29:26,019 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:26,020 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:26,020 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:26,020 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,020 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:26,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,021 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,021 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,021 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:26,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:26,021 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,037 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,037 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,037 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:26,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:26,037 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,037 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:26,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,039 - INFO - number of orbitals:  79
-2024-12-09 10:29:26,039 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,039 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,039 - INFO - moving on ...
-2024-12-09 10:29:26,039 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:26,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,040 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,040 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,040 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:26,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:26,040 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:26,056 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,057 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,057 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:26,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:26,057 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,057 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:26,057 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:26,057 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:26,057 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,057 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:26,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,059 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,060 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:26,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:26,060 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:26,076 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,076 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,076 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:26,076 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,076 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,076 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,078 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,078 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,078 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:26,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:26,078 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:26,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,095 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,095 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:26,095 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,095 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,095 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,097 - INFO - number of orbitals:  68
-2024-12-09 10:29:26,098 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,098 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,098 - INFO - moving on ...
-2024-12-09 10:29:26,098 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:26,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,098 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,098 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,100 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,100 - INFO - moving on ...
-2024-12-09 10:29:26,100 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:26,100 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,100 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,100 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,102 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,102 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,102 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:26,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:26,102 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:26,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,118 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,118 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:26,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,120 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,120 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,120 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:26,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:26,120 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:26,136 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,136 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,136 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:26,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,138 - INFO - number of orbitals:  68
-2024-12-09 10:29:26,138 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,138 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,139 - INFO - moving on ...
-2024-12-09 10:29:26,139 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:26,139 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,139 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,139 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,140 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,140 - INFO - moving on ...
-2024-12-09 10:29:26,141 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:26,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,142 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,142 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,142 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:26,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:26,142 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:26,158 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,159 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,159 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:26,159 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,159 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,159 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,161 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,161 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:26,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:26,161 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,177 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,178 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:26,178 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,178 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,178 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,180 - INFO - number of orbitals:  68
-2024-12-09 10:29:26,180 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,180 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,180 - INFO - moving on ...
-2024-12-09 10:29:26,180 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:26,180 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,180 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,180 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,182 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,182 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,182 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,182 - INFO - moving on ...
-2024-12-09 10:29:26,182 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:26,182 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:26,182 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:26,182 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,182 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:26,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,184 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,184 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,184 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:26,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:26,184 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:26,200 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,200 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,200 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:26,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:26,201 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,201 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:26,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,202 - INFO - number of orbitals:  55
-2024-12-09 10:29:26,202 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,202 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,202 - INFO - moving on ...
-2024-12-09 10:29:26,202 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:26,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,204 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,204 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:26,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:26,204 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:26,222 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,222 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,223 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:26,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:26,223 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,223 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:26,223 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:26,223 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:26,223 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,223 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:26,225 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,225 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,225 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,225 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:26,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:26,225 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:26,242 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,243 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,243 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:26,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:26,243 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,243 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:26,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,245 - INFO - number of orbitals:  110
-2024-12-09 10:29:26,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,245 - INFO - moving on ...
-2024-12-09 10:29:26,245 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:26,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,246 - INFO - number of orbitals:  60
-2024-12-09 10:29:26,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,246 - INFO - moving on ...
-2024-12-09 10:29:26,246 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:26,246 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:26,246 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:26,246 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,246 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:26,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,248 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,248 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,248 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:26,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:26,248 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:26,266 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,266 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,266 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:26,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:26,267 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,267 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:26,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,268 - INFO - number of orbitals:  110
-2024-12-09 10:29:26,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,268 - INFO - moving on ...
-2024-12-09 10:29:26,268 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:26,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,270 - INFO - number of orbitals:  60
-2024-12-09 10:29:26,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,270 - INFO - moving on ...
-2024-12-09 10:29:26,270 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:26,270 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:26,270 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:26,270 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,270 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:26,270 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,270 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,272 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,272 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:26,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:26,273 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:26,289 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,290 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,290 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:26,290 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,290 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,292 - INFO - number of orbitals:  53
-2024-12-09 10:29:26,292 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,292 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,292 - INFO - moving on ...
-2024-12-09 10:29:26,292 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:26,292 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,292 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,292 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,293 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,294 - INFO - number of orbitals:  58
-2024-12-09 10:29:26,294 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,294 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,294 - INFO - moving on ...
-2024-12-09 10:29:26,294 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:26,294 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,294 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,294 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,296 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,296 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:26,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:26,296 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:26,312 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,312 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,312 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:26,312 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,313 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,313 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,315 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,315 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,315 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,315 - INFO - moving on ...
-2024-12-09 10:29:26,315 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:26,315 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,315 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,315 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,317 - INFO - number of orbitals:  55
-2024-12-09 10:29:26,317 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,317 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,317 - INFO - moving on ...
-2024-12-09 10:29:26,317 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:26,317 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,317 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,317 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,319 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,319 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,319 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:26,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:26,319 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,335 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,336 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,336 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:26,336 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,336 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,336 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,337 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,338 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,338 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,338 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,338 - INFO - moving on ...
-2024-12-09 10:29:26,338 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:26,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,340 - INFO - number of orbitals:  55
-2024-12-09 10:29:26,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,340 - INFO - moving on ...
-2024-12-09 10:29:26,340 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:26,340 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:26,340 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:26,340 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,340 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:26,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,342 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,342 - INFO - moving on ...
-2024-12-09 10:29:26,342 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:26,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,343 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,343 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,343 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,343 - INFO - moving on ...
-2024-12-09 10:29:26,343 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:26,343 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:26,343 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:26,344 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,344 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:26,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,345 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,345 - INFO - moving on ...
-2024-12-09 10:29:26,345 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:26,345 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:26,345 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:26,345 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,345 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:26,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,346 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,346 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,346 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:26,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:26,347 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:26,363 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,363 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,363 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:26,363 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:26,363 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:26,363 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,364 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:26,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,365 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,365 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,365 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:26,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:26,365 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:26,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,382 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,382 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:26,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:26,382 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,382 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:26,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,383 - INFO - number of orbitals:  74
-2024-12-09 10:29:26,383 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,383 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,383 - INFO - moving on ...
-2024-12-09 10:29:26,383 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:26,383 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:26,383 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:26,383 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,384 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:26,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,385 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,385 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,385 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:26,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:26,385 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,401 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,401 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,402 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:26,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:26,402 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,402 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:26,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,403 - INFO - number of orbitals:  90
-2024-12-09 10:29:26,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,403 - INFO - moving on ...
-2024-12-09 10:29:26,403 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:26,403 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:26,404 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:26,404 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,404 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:26,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,405 - INFO - number of orbitals:  69
-2024-12-09 10:29:26,405 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,405 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,405 - INFO - moving on ...
-2024-12-09 10:29:26,405 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:26,405 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:26,405 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:26,405 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,405 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:26,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,406 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,407 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,407 - INFO - moving on ...
-2024-12-09 10:29:26,407 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:26,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,408 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,408 - INFO - moving on ...
-2024-12-09 10:29:26,408 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:26,408 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:26,408 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:26,408 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,408 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:26,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,410 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,410 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,410 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:26,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:26,410 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:26,427 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,427 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,427 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:26,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:26,427 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,427 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:26,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,429 - INFO - number of orbitals:  106
-2024-12-09 10:29:26,429 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,429 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,429 - INFO - moving on ...
-2024-12-09 10:29:26,429 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:26,429 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:26,429 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:26,429 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,429 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:26,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,431 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,431 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,431 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:26,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:26,431 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:26,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,448 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,448 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:26,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:26,448 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,448 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:26,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,450 - INFO - number of orbitals:  118
-2024-12-09 10:29:26,450 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,450 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,450 - INFO - moving on ...
-2024-12-09 10:29:26,450 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:26,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,451 - INFO - number of orbitals:  68
-2024-12-09 10:29:26,451 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,451 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,451 - INFO - moving on ...
-2024-12-09 10:29:26,451 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:26,451 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:26,451 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:26,451 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,452 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:26,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,453 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,453 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:26,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:26,453 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:26,469 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,470 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,470 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:26,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:26,470 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,470 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:26,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,471 - INFO - number of orbitals:  114
-2024-12-09 10:29:26,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,472 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,472 - INFO - moving on ...
-2024-12-09 10:29:26,472 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:26,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,473 - INFO - number of orbitals:  64
-2024-12-09 10:29:26,473 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,473 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,473 - INFO - moving on ...
-2024-12-09 10:29:26,473 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:26,473 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:26,473 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:26,473 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,473 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:26,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,474 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,475 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,475 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:26,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:26,475 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:26,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,491 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,491 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:26,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:26,491 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,491 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:26,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,493 - INFO - number of orbitals:  115
-2024-12-09 10:29:26,493 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,493 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,493 - INFO - moving on ...
-2024-12-09 10:29:26,493 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:26,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,494 - INFO - number of orbitals:  58
-2024-12-09 10:29:26,495 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,495 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,495 - INFO - moving on ...
-2024-12-09 10:29:26,495 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:26,495 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:26,495 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:26,495 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,495 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:26,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,496 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,496 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,496 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:26,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:26,496 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:26,513 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,513 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,513 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:26,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:26,513 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,514 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:26,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,515 - INFO - number of orbitals:  78
-2024-12-09 10:29:26,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,515 - INFO - moving on ...
-2024-12-09 10:29:26,515 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:26,515 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:26,515 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:26,515 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,516 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:26,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,517 - INFO - number of orbitals:  58
-2024-12-09 10:29:26,517 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,517 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,517 - INFO - moving on ...
-2024-12-09 10:29:26,517 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:26,517 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:26,517 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:26,517 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,517 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:26,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,519 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,519 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,519 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:26,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:26,519 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:26,535 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,535 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,535 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:26,536 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:26,536 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:26,536 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,536 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:26,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,537 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,537 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,537 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:26,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:26,538 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:26,554 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,555 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,555 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:26,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:26,555 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,555 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:26,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,556 - INFO - number of orbitals:  86
-2024-12-09 10:29:26,557 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,557 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,557 - INFO - moving on ...
-2024-12-09 10:29:26,557 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:26,557 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:26,557 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:26,557 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,557 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:26,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,558 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,558 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,558 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,558 - INFO - moving on ...
-2024-12-09 10:29:26,558 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:26,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,560 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,560 - INFO - moving on ...
-2024-12-09 10:29:26,560 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:26,560 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:26,560 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:26,560 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,560 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:26,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,561 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,561 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,562 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:26,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:26,562 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:26,579 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,580 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,580 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:26,580 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:26,580 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:26,580 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,580 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:26,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,582 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,582 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,582 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,582 - INFO - moving on ...
-2024-12-09 10:29:26,582 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:26,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,583 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,583 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,583 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,583 - INFO - moving on ...
-2024-12-09 10:29:26,583 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:26,583 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:26,583 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:26,583 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,583 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:26,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,585 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,585 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,585 - INFO - moving on ...
-2024-12-09 10:29:26,585 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:26,585 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:26,585 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:26,585 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,585 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:26,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,586 - INFO - number of orbitals:  69
-2024-12-09 10:29:26,587 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,587 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,587 - INFO - moving on ...
-2024-12-09 10:29:26,587 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:26,587 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:26,587 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:26,587 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,587 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:26,588 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,588 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,588 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,588 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:26,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:26,588 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,605 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,605 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,605 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:26,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:26,606 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,606 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:26,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,607 - INFO - number of orbitals:  116
-2024-12-09 10:29:26,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,607 - INFO - moving on ...
-2024-12-09 10:29:26,607 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:26,608 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:26,608 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:26,608 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,608 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:26,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,609 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,609 - INFO - moving on ...
-2024-12-09 10:29:26,609 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:26,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,610 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,610 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,610 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,610 - INFO - moving on ...
-2024-12-09 10:29:26,610 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:26,611 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:26,611 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:26,611 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,611 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:26,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,612 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,612 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:26,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:26,612 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:26,629 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,629 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,629 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:26,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:26,629 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,629 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:26,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,631 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,631 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,631 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,631 - INFO - moving on ...
-2024-12-09 10:29:26,631 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:26,631 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:26,631 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:26,631 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,631 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:26,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,632 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,632 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,633 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:26,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:26,633 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:26,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,649 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,649 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:26,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:26,650 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,650 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:26,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,651 - INFO - number of orbitals:  110
-2024-12-09 10:29:26,651 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,651 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,651 - INFO - moving on ...
-2024-12-09 10:29:26,651 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:26,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,652 - INFO - number of orbitals:  60
-2024-12-09 10:29:26,652 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,653 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,653 - INFO - moving on ...
-2024-12-09 10:29:26,653 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:26,653 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:26,653 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:26,653 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,653 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:26,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,654 - INFO - number of orbitals:  54
-2024-12-09 10:29:26,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,654 - INFO - moving on ...
-2024-12-09 10:29:26,654 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:26,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,655 - INFO - number of orbitals:  135
-2024-12-09 10:29:26,656 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,656 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,656 - INFO - moving on ...
-2024-12-09 10:29:26,656 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:26,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,657 - INFO - number of orbitals:  88
-2024-12-09 10:29:26,657 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,657 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,657 - INFO - moving on ...
-2024-12-09 10:29:26,657 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:26,657 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:26,657 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:26,657 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,657 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:26,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,658 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,659 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,659 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:26,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:26,659 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:26,677 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,677 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,677 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:26,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:26,678 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,678 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:26,679 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,679 - INFO - number of orbitals:  119
-2024-12-09 10:29:26,679 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,680 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,680 - INFO - moving on ...
-2024-12-09 10:29:26,680 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:26,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,681 - INFO - number of orbitals:  62
-2024-12-09 10:29:26,681 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,681 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,681 - INFO - moving on ...
-2024-12-09 10:29:26,681 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:26,681 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:26,681 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:26,681 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,682 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:26,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,683 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,683 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,683 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:26,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:26,683 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:26,700 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,700 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,700 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:26,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:26,700 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,700 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:26,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,702 - INFO - number of orbitals:  64
-2024-12-09 10:29:26,702 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,702 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,702 - INFO - moving on ...
-2024-12-09 10:29:26,702 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:26,702 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:26,702 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:26,702 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,702 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:26,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,704 - INFO - number of orbitals:  52
-2024-12-09 10:29:26,704 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,704 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,704 - INFO - moving on ...
-2024-12-09 10:29:26,704 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:26,704 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:26,704 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:26,704 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,704 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:26,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,705 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,705 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:26,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:26,705 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:26,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,723 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,723 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:26,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:26,723 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,723 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:26,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,725 - INFO - number of orbitals:  89
-2024-12-09 10:29:26,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,725 - INFO - moving on ...
-2024-12-09 10:29:26,725 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:26,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,726 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,726 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,727 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:26,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:26,727 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:26,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,744 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,744 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:26,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:26,744 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,744 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:26,745 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:26,745 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:26,745 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,745 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:26,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,746 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,747 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,747 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:26,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:26,747 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:26,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,765 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,765 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:26,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:26,765 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,765 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:26,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,767 - INFO - number of orbitals:  94
-2024-12-09 10:29:26,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,767 - INFO - moving on ...
-2024-12-09 10:29:26,767 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:26,767 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:26,767 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:26,767 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,767 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:26,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,769 - INFO - number of orbitals:  70
-2024-12-09 10:29:26,769 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,769 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,769 - INFO - moving on ...
-2024-12-09 10:29:26,769 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:26,769 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:26,769 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:26,769 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,769 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:26,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,771 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,771 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,771 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:26,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:26,771 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:26,790 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,791 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,791 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:26,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:26,791 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,791 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:26,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,792 - INFO - number of orbitals:  79
-2024-12-09 10:29:26,792 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,792 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,792 - INFO - moving on ...
-2024-12-09 10:29:26,792 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:26,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,794 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,794 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,794 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:26,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:26,794 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:26,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,810 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,810 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:26,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:26,810 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,810 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:26,810 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:26,810 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:26,810 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,811 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:26,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,813 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,813 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,813 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:26,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:26,813 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:26,829 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,830 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,830 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:26,830 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,830 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,830 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,831 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,832 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,832 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,832 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:26,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:26,832 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:26,849 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,849 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,849 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:26,849 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,849 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,849 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,851 - INFO - number of orbitals:  90
-2024-12-09 10:29:26,851 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,851 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,851 - INFO - moving on ...
-2024-12-09 10:29:26,851 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:26,851 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,852 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,853 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,853 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,854 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:26,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:26,854 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:26,870 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,871 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,871 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:26,871 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,871 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,871 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,873 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,873 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,873 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:26,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:26,873 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:26,889 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,890 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,890 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:26,890 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,890 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,890 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,892 - INFO - number of orbitals:  90
-2024-12-09 10:29:26,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,892 - INFO - moving on ...
-2024-12-09 10:29:26,892 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:26,892 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:26,892 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:26,892 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,892 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:26,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,894 - INFO - number of supporting files: 2
-2024-12-09 10:29:26,894 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:26,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:26,894 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:26,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,910 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,910 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:26,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:26,910 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:26,910 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:26,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,912 - INFO - number of orbitals:  115
-2024-12-09 10:29:26,912 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,912 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,912 - INFO - moving on ...
-2024-12-09 10:29:26,912 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:26,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,913 - INFO - number of orbitals:  58
-2024-12-09 10:29:26,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,913 - INFO - moving on ...
-2024-12-09 10:29:26,913 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:26,913 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:26,913 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:26,914 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,914 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:26,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,915 - INFO - number of orbitals:  76
-2024-12-09 10:29:26,915 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:26,915 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:26,915 - INFO - moving on ...
-2024-12-09 10:29:26,915 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:26,915 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:26,915 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:26,915 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,915 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:26,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,916 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,916 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,917 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:26,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:26,917 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:26,933 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,933 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,934 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:26,934 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:26,934 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:26,934 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:26,934 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:26,934 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,934 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,934 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,936 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,936 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,936 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:26,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:26,937 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:26,953 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,954 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,954 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:26,954 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,954 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,954 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,956 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,956 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,956 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:26,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:26,956 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:26,972 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,973 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,973 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:26,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,973 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,973 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,975 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,975 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,975 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:26,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:26,975 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:26,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:26,992 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:26,992 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:26,992 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:26,992 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:26,992 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:26,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:26,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:26,994 - INFO - number of supporting files: 1
-2024-12-09 10:29:26,994 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:26,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:26,994 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:27,010 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,010 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,010 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:27,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,011 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,011 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,013 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,013 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:27,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:27,013 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:27,029 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,029 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,029 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:27,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,031 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,031 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:27,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:27,031 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,048 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,048 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:27,048 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:27,048 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:27,048 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,048 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:27,048 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,049 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,050 - INFO - number of orbitals:  69
-2024-12-09 10:29:27,051 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,051 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,051 - INFO - moving on ...
-2024-12-09 10:29:27,051 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:27,051 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,051 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,051 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,053 - INFO - number of orbitals:  70
-2024-12-09 10:29:27,053 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,053 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,053 - INFO - moving on ...
-2024-12-09 10:29:27,053 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:27,053 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,053 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,053 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,055 - INFO - number of orbitals:  69
-2024-12-09 10:29:27,055 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,055 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,055 - INFO - moving on ...
-2024-12-09 10:29:27,055 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:27,055 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:27,055 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:27,055 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,055 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:27,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,056 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,056 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,056 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,056 - INFO - moving on ...
-2024-12-09 10:29:27,056 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:27,057 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:27,057 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:27,057 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,057 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:27,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,057 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,059 - INFO - number of orbitals:  55
-2024-12-09 10:29:27,059 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,059 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,059 - INFO - moving on ...
-2024-12-09 10:29:27,059 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:27,059 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,059 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,061 - INFO - number of orbitals:  70
-2024-12-09 10:29:27,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,061 - INFO - moving on ...
-2024-12-09 10:29:27,061 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:27,061 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,061 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,061 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,063 - INFO - number of orbitals:  55
-2024-12-09 10:29:27,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,063 - INFO - moving on ...
-2024-12-09 10:29:27,063 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:27,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,065 - INFO - number of orbitals:  69
-2024-12-09 10:29:27,065 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,065 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,065 - INFO - moving on ...
-2024-12-09 10:29:27,065 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:27,065 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,065 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,065 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,066 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,067 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,067 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:27,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:27,067 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:27,083 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,084 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,084 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:27,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,086 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,086 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:27,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:27,086 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:27,103 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,103 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,103 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:27,103 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,103 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,103 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,105 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,105 - INFO - number of orbitals:  55
-2024-12-09 10:29:27,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,105 - INFO - moving on ...
-2024-12-09 10:29:27,105 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:27,105 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,106 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,106 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,107 - INFO - number of orbitals:  69
-2024-12-09 10:29:27,107 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,108 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,108 - INFO - moving on ...
-2024-12-09 10:29:27,108 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:27,108 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,108 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,108 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,110 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,110 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,110 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:27,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:27,110 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:27,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,127 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,127 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:27,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,129 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,129 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:27,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:27,129 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:27,146 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,146 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,146 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:27,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,147 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,147 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,149 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,149 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:27,149 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:27,149 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:27,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,165 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,165 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:27,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,168 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,168 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:27,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:27,168 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:27,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,184 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,185 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:27,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,187 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,187 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,187 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:27,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:27,187 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:27,203 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,203 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,204 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:27,204 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,204 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,204 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,205 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,206 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,206 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,206 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:27,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:27,206 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:27,222 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,223 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,223 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:27,223 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,223 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,223 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,225 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,225 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,225 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:27,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:27,225 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:27,242 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,242 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,242 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:27,242 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,242 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,242 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,244 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,245 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,245 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:27,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:27,245 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:27,261 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,262 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,262 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:27,262 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:27,262 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:27,262 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,262 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:27,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,264 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,264 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,264 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:27,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:27,264 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:27,280 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,281 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,281 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:27,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:27,281 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,281 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:27,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,283 - INFO - number of orbitals:  90
-2024-12-09 10:29:27,283 - INFO - too many orbitals!  we are only considering max_num_orbitals 50.
-2024-12-09 10:29:27,283 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,283 - INFO - moving on ...
-2024-12-09 10:29:27,283 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:27,283 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:27,283 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:27,283 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,283 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:27,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,284 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,284 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,284 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:27,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:27,285 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:27,301 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,301 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,301 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:27,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:27,301 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,301 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:27,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,303 - INFO - number of orbitals:  118
-2024-12-09 10:29:27,303 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,303 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,303 - INFO - moving on ...
-2024-12-09 10:29:27,303 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:27,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,304 - INFO - number of orbitals:  68
-2024-12-09 10:29:27,304 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,305 - INFO - moving on ...
-2024-12-09 10:29:27,305 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:27,305 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:27,305 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:27,305 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,305 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:27,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,306 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,306 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,306 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:27,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:27,306 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:27,324 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,324 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,324 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:27,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:27,324 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,324 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:27,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,326 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,326 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,326 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,326 - INFO - moving on ...
-2024-12-09 10:29:27,326 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:27,326 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:27,326 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:27,327 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,327 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:27,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,328 - INFO - number of orbitals:  66
-2024-12-09 10:29:27,328 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,328 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,328 - INFO - moving on ...
-2024-12-09 10:29:27,328 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:27,329 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:27,329 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:27,329 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,329 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:27,329 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,329 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,329 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,331 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,331 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:27,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:27,331 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:27,349 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,349 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,349 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:27,349 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,350 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,350 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,352 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,352 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,352 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:27,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:27,352 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:27,369 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,370 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,370 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:27,370 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,370 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,370 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,372 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,372 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,372 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:27,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:27,372 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,389 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,389 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,390 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:27,390 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,390 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,390 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,392 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,392 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,392 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:27,392 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:27,392 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,409 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,409 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:27,409 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,412 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,412 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,412 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:27,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:27,412 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:27,428 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,429 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,429 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:27,429 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,429 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,429 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,431 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,431 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,431 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:27,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:27,431 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:27,448 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,449 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,449 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:27,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,451 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,452 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,452 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:27,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:27,452 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:27,475 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,475 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,475 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:27,476 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,476 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,476 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,479 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,479 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,479 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:27,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:27,479 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:27,497 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,497 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,497 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:27,497 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,498 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,498 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,500 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,500 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,500 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:27,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:27,500 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:27,522 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,523 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,523 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:27,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,523 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,523 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,526 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,526 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:27,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:27,527 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:27,546 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,546 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,546 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:27,546 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,546 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,547 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,548 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,548 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,549 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:27,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:27,549 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,565 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,565 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,565 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:27,565 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,567 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,567 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,567 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,567 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:27,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:27,567 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:27,584 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,584 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,584 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:27,584 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:27,584 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:27,584 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,584 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:27,585 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,585 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,585 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,587 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,587 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,587 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:27,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:27,587 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:27,603 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,603 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,603 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:27,603 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,605 - INFO - number of orbitals:  108
-2024-12-09 10:29:27,605 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,605 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,605 - INFO - moving on ...
-2024-12-09 10:29:27,605 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:27,606 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:27,606 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:27,606 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,606 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:27,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,607 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,607 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,607 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:27,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:27,607 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:27,624 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,624 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,624 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:27,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:27,624 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,624 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:27,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,626 - INFO - number of orbitals:  135
-2024-12-09 10:29:27,626 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,626 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,626 - INFO - moving on ...
-2024-12-09 10:29:27,626 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:27,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,627 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,627 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,627 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,627 - INFO - moving on ...
-2024-12-09 10:29:27,627 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:27,627 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:27,627 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:27,627 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,627 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:27,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,629 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,629 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,629 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:27,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:27,629 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:27,645 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,645 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,645 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:27,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:27,645 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,645 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:27,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,647 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,647 - INFO - moving on ...
-2024-12-09 10:29:27,647 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:27,647 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:27,647 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:27,647 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,647 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:27,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,648 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,648 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:27,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:27,648 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:27,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,664 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,664 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:27,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:27,665 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,665 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:27,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,666 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,666 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,666 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,666 - INFO - moving on ...
-2024-12-09 10:29:27,666 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:27,666 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:27,667 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:27,667 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,667 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:27,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,668 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,668 - INFO - moving on ...
-2024-12-09 10:29:27,668 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:27,668 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:27,668 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:27,668 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,668 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:27,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,669 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,670 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,670 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,670 - INFO - moving on ...
-2024-12-09 10:29:27,670 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:27,670 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:27,670 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:27,670 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,670 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:27,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,671 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,671 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,671 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:27,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:27,671 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:27,687 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,688 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,688 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:27,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:27,688 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,688 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:27,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,689 - INFO - number of orbitals:  118
-2024-12-09 10:29:27,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,689 - INFO - moving on ...
-2024-12-09 10:29:27,689 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:27,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,691 - INFO - number of orbitals:  68
-2024-12-09 10:29:27,691 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,691 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,691 - INFO - moving on ...
-2024-12-09 10:29:27,691 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:27,691 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:27,691 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:27,691 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,691 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:27,691 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,691 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,691 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,693 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,693 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,693 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:27,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:27,693 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,709 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,710 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,710 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:27,710 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,710 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,710 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,712 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,712 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,712 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:27,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:27,712 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:27,728 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,728 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,728 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:27,728 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,728 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,728 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,730 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,730 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,730 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:27,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:27,731 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:27,747 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,747 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,748 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:27,748 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,748 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,748 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,750 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,750 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,750 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:27,750 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:27,750 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:27,766 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,766 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,767 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:27,767 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,767 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,767 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,769 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,769 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,769 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:27,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:27,769 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:27,785 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,785 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,785 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:27,785 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,785 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,785 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,788 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,788 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,788 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:27,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:27,788 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:27,805 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,805 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,805 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:27,805 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,805 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,805 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,807 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,807 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,807 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:27,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:27,808 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:27,824 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,824 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,824 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:27,824 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:27,824 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:27,824 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:27,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,826 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,826 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,826 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:27,826 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:27,827 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:27,843 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,843 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,844 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:27,844 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:27,844 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:27,844 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,844 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:27,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,845 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,845 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,845 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,845 - INFO - moving on ...
-2024-12-09 10:29:27,846 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:27,846 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:27,846 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:27,846 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,846 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:27,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,847 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,847 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,847 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:27,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:27,847 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:27,864 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,864 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,864 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:27,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:27,864 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,865 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:27,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,866 - INFO - number of orbitals:  76
-2024-12-09 10:29:27,866 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,866 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,866 - INFO - moving on ...
-2024-12-09 10:29:27,866 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:27,866 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:27,866 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:27,866 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,866 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:27,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,868 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,868 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:27,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:27,868 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:27,885 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,885 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,885 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:27,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:27,885 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,885 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:27,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,887 - INFO - number of orbitals:  119
-2024-12-09 10:29:27,887 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,887 - INFO - moving on ...
-2024-12-09 10:29:27,887 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:27,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,888 - INFO - number of orbitals:  62
-2024-12-09 10:29:27,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,888 - INFO - moving on ...
-2024-12-09 10:29:27,888 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:27,889 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:27,889 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:27,889 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,889 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:27,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,890 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,890 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:27,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:27,890 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:27,906 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,907 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,907 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:27,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:27,907 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,907 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:27,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,908 - INFO - number of orbitals:  135
-2024-12-09 10:29:27,908 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,908 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,909 - INFO - moving on ...
-2024-12-09 10:29:27,909 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:27,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,910 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,910 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,910 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,910 - INFO - moving on ...
-2024-12-09 10:29:27,910 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:27,910 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:27,910 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:27,910 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,910 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:27,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,911 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,911 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:27,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:27,912 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:27,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,928 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,928 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:27,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:27,929 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,929 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:27,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,930 - INFO - number of orbitals:  118
-2024-12-09 10:29:27,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,930 - INFO - moving on ...
-2024-12-09 10:29:27,930 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:27,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,931 - INFO - number of orbitals:  68
-2024-12-09 10:29:27,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,932 - INFO - moving on ...
-2024-12-09 10:29:27,932 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:27,932 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:27,932 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:27,932 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,932 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:27,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,933 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,933 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,933 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:27,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:27,933 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:27,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,949 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,949 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:27,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:27,949 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,949 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:27,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,951 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,951 - INFO - moving on ...
-2024-12-09 10:29:27,951 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:27,951 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:27,951 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:27,951 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,951 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:27,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,953 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,953 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:27,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:27,953 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:27,970 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,970 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,970 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:27,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:27,970 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,970 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:27,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,972 - INFO - number of orbitals:  110
-2024-12-09 10:29:27,972 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,972 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,972 - INFO - moving on ...
-2024-12-09 10:29:27,972 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:27,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,973 - INFO - number of orbitals:  60
-2024-12-09 10:29:27,973 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,973 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,973 - INFO - moving on ...
-2024-12-09 10:29:27,973 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:27,974 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:27,974 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:27,974 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,974 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:27,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,975 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,975 - INFO - number of supporting files: 2
-2024-12-09 10:29:27,975 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:27,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:27,975 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:27,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:27,991 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:27,991 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:27,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:27,992 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:27,992 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:27,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,993 - INFO - number of orbitals:  88
-2024-12-09 10:29:27,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:27,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:27,993 - INFO - moving on ...
-2024-12-09 10:29:27,993 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:27,993 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:27,993 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:27,993 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:27,993 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:27,995 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:27,995 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:27,995 - INFO - number of supporting files: 1
-2024-12-09 10:29:27,995 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:27,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:27,995 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:28,012 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,012 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,012 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:28,013 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:28,013 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:28,013 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,013 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:28,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,014 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,014 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,014 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:28,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:28,015 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:28,031 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,031 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,031 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:28,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:28,031 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,031 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:28,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,033 - INFO - number of orbitals:  88
-2024-12-09 10:29:28,033 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,033 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,033 - INFO - moving on ...
-2024-12-09 10:29:28,033 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:28,033 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:28,033 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:28,033 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,033 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:28,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,034 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,034 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,034 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:28,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:28,034 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:28,050 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,051 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,051 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:28,051 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:28,051 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:28,051 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,051 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:28,051 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,051 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,051 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,053 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,053 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:28,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:28,053 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,070 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,070 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,070 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:28,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,072 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,073 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:28,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:28,073 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:28,089 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,090 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,090 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:28,090 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,090 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,090 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,092 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,092 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,092 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:28,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:28,092 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,109 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,110 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,110 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:28,110 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,110 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,110 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,112 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,112 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,112 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:28,112 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:28,112 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:28,129 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,129 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,129 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:28,129 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:28,129 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:28,129 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,129 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:28,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,131 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,131 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,131 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:28,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:28,131 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,147 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,148 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,148 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:28,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:28,148 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,148 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:28,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,150 - INFO - number of orbitals:  85
-2024-12-09 10:29:28,150 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,150 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,150 - INFO - moving on ...
-2024-12-09 10:29:28,150 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:28,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,151 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,151 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:28,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:28,151 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:28,167 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,168 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,168 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:28,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:28,168 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,168 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:28,168 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:28,168 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:28,168 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,168 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:28,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,170 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,170 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:28,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:28,170 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:28,186 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,186 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,186 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:28,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:28,186 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,186 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:28,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,188 - INFO - number of orbitals:  110
-2024-12-09 10:29:28,188 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,188 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,188 - INFO - moving on ...
-2024-12-09 10:29:28,188 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:28,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,189 - INFO - number of orbitals:  60
-2024-12-09 10:29:28,189 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,189 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,189 - INFO - moving on ...
-2024-12-09 10:29:28,189 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:28,189 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:28,189 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:28,189 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,189 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:28,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,191 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,191 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:28,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:28,191 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:28,207 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,208 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,208 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:28,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:28,208 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,208 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:28,210 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,210 - INFO - number of orbitals:  85
-2024-12-09 10:29:28,210 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,210 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,210 - INFO - moving on ...
-2024-12-09 10:29:28,210 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:28,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,212 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,212 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,212 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:28,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:28,212 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:28,229 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,230 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,230 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:28,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:28,230 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,230 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:28,230 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:28,230 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:28,230 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,230 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:28,232 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,232 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,232 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,232 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:28,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:28,232 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:28,249 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,249 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,249 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:28,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:28,250 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,250 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:28,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,251 - INFO - number of orbitals:  88
-2024-12-09 10:29:28,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,251 - INFO - moving on ...
-2024-12-09 10:29:28,251 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:28,251 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:28,252 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:28,252 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,252 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:28,253 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,253 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,253 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,253 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:28,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:28,253 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:28,270 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,270 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,270 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:28,271 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:28,271 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:28,271 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,271 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:28,271 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,271 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,271 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,273 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,273 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,273 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:28,273 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:28,273 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:28,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,290 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,290 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:28,290 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,290 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,292 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,292 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:28,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:28,292 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:28,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,309 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,309 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:28,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,309 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,309 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,311 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,311 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:28,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:28,311 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:28,328 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,328 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,328 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:28,328 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,329 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,329 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,330 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,331 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,331 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:28,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:28,331 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:28,347 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,347 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,347 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:28,347 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,348 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,348 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,350 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,350 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,350 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:28,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:28,350 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:28,366 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,367 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,367 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:28,367 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,367 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,367 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,369 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,369 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:28,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:28,369 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:28,386 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,386 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,386 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:28,386 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,388 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,389 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,389 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:28,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:28,389 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:28,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,406 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,406 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:28,406 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,406 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,406 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,408 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,408 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,408 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:28,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:28,409 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:28,425 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,426 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,426 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:28,426 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,426 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,426 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,428 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,428 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:28,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:28,428 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:28,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,445 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,445 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:28,445 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:28,445 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:28,445 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,445 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:28,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,447 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,447 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:28,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:28,447 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:28,463 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,464 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,464 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:28,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:28,464 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,464 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:28,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,465 - INFO - number of orbitals:  88
-2024-12-09 10:29:28,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,465 - INFO - moving on ...
-2024-12-09 10:29:28,465 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:28,466 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:28,466 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:28,466 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,466 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:28,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,467 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,467 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,467 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:28,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:28,467 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:28,483 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,484 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,484 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:28,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:28,484 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,484 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:28,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,485 - INFO - number of orbitals:  72
-2024-12-09 10:29:28,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,485 - INFO - moving on ...
-2024-12-09 10:29:28,486 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:28,486 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:28,486 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:28,486 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,486 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:28,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,487 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,487 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,487 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:28,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:28,487 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:28,504 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,505 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,505 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:28,505 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:28,505 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:28,505 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,505 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:28,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,507 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,507 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:28,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:28,507 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:28,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,524 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,524 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:28,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:28,524 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,524 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:28,524 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:28,524 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:28,524 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,524 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:28,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,526 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,526 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:28,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:28,526 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:28,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,542 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,543 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:28,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:28,543 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,543 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:28,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,544 - INFO - number of orbitals:  116
-2024-12-09 10:29:28,544 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,544 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,544 - INFO - moving on ...
-2024-12-09 10:29:28,545 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:28,545 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:28,545 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:28,545 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,545 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:28,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,547 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,547 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:28,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:28,547 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,568 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,568 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:28,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:28,568 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,568 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:28,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,570 - INFO - number of orbitals:  79
-2024-12-09 10:29:28,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,570 - INFO - moving on ...
-2024-12-09 10:29:28,570 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:28,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,572 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,572 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:28,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:28,572 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:28,593 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,594 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,594 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:28,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:28,594 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,594 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:28,594 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:28,594 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:28,594 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,594 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:28,595 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,595 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,595 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,597 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,597 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,597 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:28,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:28,597 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:28,619 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,619 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,619 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:28,619 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,620 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,620 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,621 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,622 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,622 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,622 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:28,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:28,622 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:28,644 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,644 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,644 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:28,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,647 - INFO - number of orbitals:  68
-2024-12-09 10:29:28,647 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,647 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,648 - INFO - moving on ...
-2024-12-09 10:29:28,648 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:28,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,650 - INFO - number of orbitals:  76
-2024-12-09 10:29:28,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,650 - INFO - moving on ...
-2024-12-09 10:29:28,650 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:28,650 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,651 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,651 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,653 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,653 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,653 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:28,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:28,653 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:28,674 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,675 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,675 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:28,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,675 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,675 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,678 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,678 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,678 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:28,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:28,678 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:28,696 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,697 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,697 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:28,697 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,697 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,697 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,698 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,699 - INFO - number of orbitals:  68
-2024-12-09 10:29:28,699 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,699 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,699 - INFO - moving on ...
-2024-12-09 10:29:28,699 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:28,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,699 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,699 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,701 - INFO - number of orbitals:  76
-2024-12-09 10:29:28,701 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,701 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,701 - INFO - moving on ...
-2024-12-09 10:29:28,701 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:28,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,702 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,702 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,703 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,704 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,704 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,704 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:28,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:28,704 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:28,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,726 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,726 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:28,726 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,726 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,729 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,729 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:28,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:28,729 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,750 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,751 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,751 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:28,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,754 - INFO - number of orbitals:  68
-2024-12-09 10:29:28,754 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,754 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,754 - INFO - moving on ...
-2024-12-09 10:29:28,754 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:28,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,756 - INFO - number of orbitals:  76
-2024-12-09 10:29:28,757 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,757 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,757 - INFO - moving on ...
-2024-12-09 10:29:28,757 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:28,757 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:28,757 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:28,757 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,757 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:28,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,759 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,759 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,759 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:28,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:28,759 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:28,780 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,781 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,781 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:28,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:28,781 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,781 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:28,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,783 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,783 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,783 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:28,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:28,783 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:28,805 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,805 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,806 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:28,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:28,806 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,806 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:28,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,808 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,808 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,808 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:28,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:28,808 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:28,825 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,825 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,825 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:28,825 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:28,825 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,825 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:28,825 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:28,826 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:28,826 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,826 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:28,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,827 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,827 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,827 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:28,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:28,827 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:28,844 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,844 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,844 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:28,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:28,844 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,844 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:28,845 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,846 - INFO - number of orbitals:  110
-2024-12-09 10:29:28,846 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,846 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,846 - INFO - moving on ...
-2024-12-09 10:29:28,846 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:28,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,847 - INFO - number of orbitals:  60
-2024-12-09 10:29:28,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,847 - INFO - moving on ...
-2024-12-09 10:29:28,847 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:28,847 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:28,848 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:28,848 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,848 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:28,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,849 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,849 - INFO - number of supporting files: 2
-2024-12-09 10:29:28,849 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:28,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:28,849 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:28,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,866 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,866 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:28,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:28,866 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:28,866 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:28,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,868 - INFO - number of orbitals:  110
-2024-12-09 10:29:28,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,868 - INFO - moving on ...
-2024-12-09 10:29:28,868 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:28,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,869 - INFO - number of orbitals:  60
-2024-12-09 10:29:28,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,869 - INFO - moving on ...
-2024-12-09 10:29:28,869 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:28,870 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:28,870 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:28,870 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:28,870 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:28,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,872 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,872 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:28,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:28,872 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:28,888 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,889 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,889 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:28,889 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,891 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,891 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,891 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:28,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:28,891 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:28,908 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,909 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,909 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:28,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,909 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,909 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,911 - INFO - number of orbitals:  58
-2024-12-09 10:29:28,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:28,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:28,911 - INFO - moving on ...
-2024-12-09 10:29:28,911 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:28,911 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,911 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,911 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,913 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,913 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:28,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:28,913 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:28,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,929 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,929 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:28,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,929 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,931 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,931 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,931 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:28,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:28,932 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:28,948 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,948 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,948 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:28,948 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,949 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,949 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,951 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,951 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,951 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:28,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:28,951 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:28,967 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,967 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,967 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:28,967 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,967 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,969 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,970 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,970 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:28,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:28,970 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:28,986 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:28,986 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:28,986 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:28,986 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:28,986 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:28,986 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:28,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:28,988 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:28,988 - INFO - number of supporting files: 1
-2024-12-09 10:29:28,989 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:28,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:28,989 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:29,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,005 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,005 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:29,005 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,006 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,006 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,007 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,007 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,008 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:29,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:29,008 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:29,023 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,024 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,024 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:29,024 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:29,024 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:29,024 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,024 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:29,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,026 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,026 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,026 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:29,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:29,026 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:29,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,043 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,044 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:29,044 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:29,044 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,044 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:29,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,045 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,045 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,045 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,046 - INFO - moving on ...
-2024-12-09 10:29:29,046 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:29,046 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:29,046 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:29,046 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,046 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:29,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,047 - INFO - number of orbitals:  76
-2024-12-09 10:29:29,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,047 - INFO - moving on ...
-2024-12-09 10:29:29,047 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:29,047 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:29,047 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:29,048 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,048 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:29,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,049 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,049 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,049 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:29,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:29,049 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:29,067 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,067 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,067 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:29,068 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:29,068 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:29,068 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,068 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:29,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,070 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,070 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,070 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:29,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:29,070 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:29,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,089 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,089 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:29,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:29,089 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,089 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:29,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,090 - INFO - number of orbitals:  74
-2024-12-09 10:29:29,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,090 - INFO - moving on ...
-2024-12-09 10:29:29,091 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:29,091 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:29,091 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:29,091 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,091 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:29,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,092 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,092 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,092 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:29,093 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:29,093 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:29,110 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,110 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,110 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:29,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:29,110 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,110 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:29,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,112 - INFO - number of orbitals:  90
-2024-12-09 10:29:29,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,112 - INFO - moving on ...
-2024-12-09 10:29:29,112 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:29,112 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:29,112 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:29,112 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,112 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:29,113 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,113 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,113 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,113 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,113 - INFO - moving on ...
-2024-12-09 10:29:29,113 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:29,114 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:29,114 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:29,114 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,114 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:29,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,115 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,115 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,115 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:29,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:29,115 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:29,131 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,131 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,131 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:29,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:29,131 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,131 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:29,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,133 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,133 - INFO - moving on ...
-2024-12-09 10:29:29,133 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:29,133 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:29,133 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:29,133 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,133 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:29,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,135 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,135 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,135 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:29,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:29,135 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:29,151 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,152 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,152 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:29,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:29,152 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,152 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:29,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,153 - INFO - number of orbitals:  106
-2024-12-09 10:29:29,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,154 - INFO - moving on ...
-2024-12-09 10:29:29,154 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:29,154 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:29,154 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:29,154 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,154 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:29,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,155 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,156 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,156 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:29,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:29,156 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:29,172 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,172 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,172 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:29,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:29,172 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,172 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:29,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,174 - INFO - number of orbitals:  118
-2024-12-09 10:29:29,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,174 - INFO - moving on ...
-2024-12-09 10:29:29,174 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:29,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,175 - INFO - number of orbitals:  68
-2024-12-09 10:29:29,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,175 - INFO - moving on ...
-2024-12-09 10:29:29,175 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:29,176 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:29,176 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:29,176 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,176 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:29,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,177 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,177 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,177 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:29,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:29,177 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:29,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,193 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,193 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:29,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:29,193 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,193 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:29,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,195 - INFO - number of orbitals:  114
-2024-12-09 10:29:29,195 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,195 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,195 - INFO - moving on ...
-2024-12-09 10:29:29,195 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:29,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,196 - INFO - number of orbitals:  64
-2024-12-09 10:29:29,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,196 - INFO - moving on ...
-2024-12-09 10:29:29,196 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:29,197 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:29,197 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:29,197 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,197 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:29,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,198 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,198 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,198 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:29,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:29,198 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:29,213 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,214 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,214 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:29,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:29,214 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,214 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:29,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,216 - INFO - number of orbitals:  115
-2024-12-09 10:29:29,216 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,216 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,216 - INFO - moving on ...
-2024-12-09 10:29:29,216 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:29,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,217 - INFO - number of orbitals:  58
-2024-12-09 10:29:29,217 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,217 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,217 - INFO - moving on ...
-2024-12-09 10:29:29,217 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:29,217 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:29,217 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:29,217 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,217 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:29,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,219 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,219 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,219 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:29,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:29,219 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:29,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,236 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,236 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:29,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:29,236 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,236 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:29,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,237 - INFO - number of orbitals:  78
-2024-12-09 10:29:29,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,238 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,238 - INFO - moving on ...
-2024-12-09 10:29:29,238 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:29,238 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:29,238 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:29,238 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,238 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:29,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,239 - INFO - number of orbitals:  58
-2024-12-09 10:29:29,239 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,239 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,239 - INFO - moving on ...
-2024-12-09 10:29:29,239 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:29,239 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:29,239 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:29,239 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,240 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:29,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,241 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,241 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,241 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:29,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:29,241 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:29,258 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,258 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,258 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:29,258 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:29,258 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:29,258 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,258 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:29,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,260 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,260 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,260 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:29,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:29,260 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:29,277 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,277 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,277 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:29,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:29,278 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,278 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:29,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,279 - INFO - number of orbitals:  86
-2024-12-09 10:29:29,279 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,279 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,279 - INFO - moving on ...
-2024-12-09 10:29:29,279 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:29,279 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:29,279 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:29,279 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,280 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:29,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,281 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,281 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,281 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:29,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:29,281 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:29,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,299 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,299 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:29,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:29,299 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,299 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:29,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,301 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,301 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,301 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,301 - INFO - moving on ...
-2024-12-09 10:29:29,301 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:29,301 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:29,301 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:29,301 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,301 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:29,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,303 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,303 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,303 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:29,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:29,303 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:29,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,320 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,320 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:29,320 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:29,320 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:29,320 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,320 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:29,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,322 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,322 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,322 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:29,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:29,322 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:29,338 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,339 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,339 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:29,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:29,339 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,339 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:29,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,340 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,340 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,340 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,340 - INFO - moving on ...
-2024-12-09 10:29:29,340 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:29,341 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:29,341 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:29,341 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,341 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:29,342 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,342 - INFO - number of orbitals:  76
-2024-12-09 10:29:29,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,342 - INFO - moving on ...
-2024-12-09 10:29:29,342 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:29,342 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:29,342 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:29,342 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,342 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:29,344 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,344 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,344 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,344 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,344 - INFO - moving on ...
-2024-12-09 10:29:29,344 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:29,344 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:29,344 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:29,344 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,345 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:29,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,346 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,346 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,346 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:29,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:29,346 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:29,363 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,364 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,364 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:29,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:29,364 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,364 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:29,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,366 - INFO - number of orbitals:  116
-2024-12-09 10:29:29,366 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,366 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,366 - INFO - moving on ...
-2024-12-09 10:29:29,366 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:29,366 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:29,366 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:29,366 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,366 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:29,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,368 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,368 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,368 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:29,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:29,368 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:29,385 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,385 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,385 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:29,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:29,386 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,386 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:29,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,387 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,387 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,387 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,387 - INFO - moving on ...
-2024-12-09 10:29:29,387 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:29,388 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:29,388 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:29,388 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,388 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:29,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,389 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,389 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,389 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:29,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:29,389 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:29,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,406 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,406 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:29,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:29,406 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,406 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:29,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,408 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,408 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,408 - INFO - moving on ...
-2024-12-09 10:29:29,408 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:29,408 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:29,408 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:29,408 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,408 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:29,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,410 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,410 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,410 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:29,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:29,410 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:29,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,431 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,431 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:29,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:29,431 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,431 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:29,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,433 - INFO - number of orbitals:  110
-2024-12-09 10:29:29,433 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,433 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,433 - INFO - moving on ...
-2024-12-09 10:29:29,433 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:29,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,435 - INFO - number of orbitals:  60
-2024-12-09 10:29:29,435 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,436 - INFO - moving on ...
-2024-12-09 10:29:29,436 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:29,436 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:29,436 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:29,436 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,436 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:29,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,437 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,437 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,437 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:29,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:29,437 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:29,454 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,454 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,454 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:29,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:29,454 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,454 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:29,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,456 - INFO - number of orbitals:  135
-2024-12-09 10:29:29,456 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,456 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,456 - INFO - moving on ...
-2024-12-09 10:29:29,456 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:29,457 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,457 - INFO - number of orbitals:  88
-2024-12-09 10:29:29,457 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,457 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,457 - INFO - moving on ...
-2024-12-09 10:29:29,458 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:29,458 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:29,458 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:29,458 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,458 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:29,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,459 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,459 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,459 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:29,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:29,459 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:29,476 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,476 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,477 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:29,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:29,477 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,477 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:29,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,478 - INFO - number of orbitals:  119
-2024-12-09 10:29:29,478 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,478 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,478 - INFO - moving on ...
-2024-12-09 10:29:29,478 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:29,479 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,480 - INFO - number of orbitals:  62
-2024-12-09 10:29:29,480 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,480 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,480 - INFO - moving on ...
-2024-12-09 10:29:29,480 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:29,480 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:29,480 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:29,480 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,480 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:29,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,481 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,481 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,482 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:29,482 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:29,482 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:29,499 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,499 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,499 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:29,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:29,499 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,499 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:29,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,501 - INFO - number of orbitals:  64
-2024-12-09 10:29:29,501 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,501 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,501 - INFO - moving on ...
-2024-12-09 10:29:29,501 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:29,501 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:29,501 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:29,501 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,501 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:29,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,503 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,503 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:29,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:29,503 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:29,519 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,519 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,519 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:29,519 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:29,519 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,520 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:29,520 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:29,520 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:29,520 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,520 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:29,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,521 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,521 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,521 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:29,521 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:29,521 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:29,538 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,538 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,538 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:29,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:29,538 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,538 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:29,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,540 - INFO - number of orbitals:  89
-2024-12-09 10:29:29,540 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,540 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,540 - INFO - moving on ...
-2024-12-09 10:29:29,540 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:29,541 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,541 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,541 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,541 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:29,541 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:29,541 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:29,557 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,557 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,558 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:29,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:29,558 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,558 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:29,558 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:29,558 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:29,558 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,558 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:29,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,560 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,560 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,560 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:29,560 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:29,560 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:29,576 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,577 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,577 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:29,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:29,577 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,577 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:29,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,578 - INFO - number of orbitals:  94
-2024-12-09 10:29:29,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,579 - INFO - moving on ...
-2024-12-09 10:29:29,579 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:29,579 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:29,579 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:29,579 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,579 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:29,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,580 - INFO - number of orbitals:  70
-2024-12-09 10:29:29,580 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,580 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,580 - INFO - moving on ...
-2024-12-09 10:29:29,580 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:29,581 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:29,581 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:29,581 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,581 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:29,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,582 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,582 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:29,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:29,582 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:29,598 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,599 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,599 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:29,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:29,599 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,599 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:29,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,601 - INFO - number of orbitals:  79
-2024-12-09 10:29:29,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,601 - INFO - moving on ...
-2024-12-09 10:29:29,601 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:29,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,602 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,603 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,603 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:29,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:29,603 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:29,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,621 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,621 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:29,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:29,621 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,621 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:29,621 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:29,622 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:29,622 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,622 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:29,622 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,624 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,624 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,624 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:29,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:29,624 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:29,641 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,641 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,641 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:29,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,642 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,642 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,643 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,643 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,644 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:29,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:29,644 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:29,660 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,660 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,660 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:29,660 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,662 - INFO - number of orbitals:  90
-2024-12-09 10:29:29,663 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,663 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,663 - INFO - moving on ...
-2024-12-09 10:29:29,663 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:29,663 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,663 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,663 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,665 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,665 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,665 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:29,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:29,665 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:29,683 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,683 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,684 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:29,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,686 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,686 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,686 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:29,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:29,686 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:29,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,702 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,703 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:29,703 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,703 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,703 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,705 - INFO - number of orbitals:  90
-2024-12-09 10:29:29,705 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,705 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,705 - INFO - moving on ...
-2024-12-09 10:29:29,705 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:29,705 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:29,705 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:29,705 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,705 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:29,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,706 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,706 - INFO - number of supporting files: 2
-2024-12-09 10:29:29,706 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:29,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:29,706 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:29,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,722 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,722 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:29,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:29,722 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:29,723 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:29,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,724 - INFO - number of orbitals:  115
-2024-12-09 10:29:29,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,724 - INFO - moving on ...
-2024-12-09 10:29:29,724 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:29,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,725 - INFO - number of orbitals:  58
-2024-12-09 10:29:29,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,725 - INFO - moving on ...
-2024-12-09 10:29:29,725 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:29,726 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:29,726 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:29,726 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,726 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:29,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,727 - INFO - number of orbitals:  76
-2024-12-09 10:29:29,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,727 - INFO - moving on ...
-2024-12-09 10:29:29,727 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:29,727 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:29,727 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:29,727 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,727 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:29,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,728 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,728 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,729 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:29,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:29,729 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:29,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,744 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,744 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:29,744 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:29,745 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:29,745 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,745 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:29,745 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,745 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,745 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,747 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,747 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,747 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:29,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:29,747 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:29,762 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,763 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,763 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:29,763 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,765 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,765 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,765 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:29,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:29,765 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:29,781 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,781 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,781 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:29,781 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,782 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,782 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,784 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,784 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,784 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:29,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:29,784 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:29,802 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,802 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,802 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:29,802 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,802 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,802 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,804 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,804 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,804 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:29,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:29,804 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:29,820 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,821 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,821 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:29,821 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,821 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,823 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,823 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,823 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:29,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:29,823 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:29,839 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,839 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,839 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:29,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,839 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,839 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,841 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,841 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:29,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:29,841 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:29,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,857 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,857 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:29,857 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:29,858 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:29,858 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,858 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:29,858 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,858 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,858 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,860 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,860 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,860 - INFO - moving on ...
-2024-12-09 10:29:29,860 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:29,860 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,862 - INFO - number of orbitals:  70
-2024-12-09 10:29:29,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,862 - INFO - moving on ...
-2024-12-09 10:29:29,862 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:29,862 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,862 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,862 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,864 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,864 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,864 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,864 - INFO - moving on ...
-2024-12-09 10:29:29,864 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:29,864 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:29,864 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:29,864 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,864 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:29,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,865 - INFO - number of orbitals:  76
-2024-12-09 10:29:29,865 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,865 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,865 - INFO - moving on ...
-2024-12-09 10:29:29,865 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:29,866 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:29,866 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:29,866 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:29,866 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:29,866 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,866 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,866 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,868 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,868 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:29,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:29,868 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:29,884 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,884 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,884 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:29,884 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,884 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,884 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,886 - INFO - number of orbitals:  70
-2024-12-09 10:29:29,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,887 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,887 - INFO - moving on ...
-2024-12-09 10:29:29,887 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:29,887 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,887 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,887 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,889 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,889 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,889 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:29,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:29,889 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:29,905 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,905 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,905 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:29,905 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,905 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,905 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,907 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,907 - INFO - moving on ...
-2024-12-09 10:29:29,907 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:29,907 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,908 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,908 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,909 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,909 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,909 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:29,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:29,909 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:29,925 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,925 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,925 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:29,925 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,925 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,927 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,927 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:29,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:29,927 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:29,943 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,943 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,943 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:29,943 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,944 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,945 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,946 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:29,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:29,946 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:29,961 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,961 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,961 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:29,961 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,963 - INFO - number of orbitals:  69
-2024-12-09 10:29:29,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:29,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:29,964 - INFO - moving on ...
-2024-12-09 10:29:29,964 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:29,964 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,964 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,964 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,966 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,966 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:29,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:29,966 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:29,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:29,982 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:29,982 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:29,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:29,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:29,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:29,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:29,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:29,984 - INFO - number of supporting files: 1
-2024-12-09 10:29:29,984 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:29,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:29,984 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:30,002 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,003 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,003 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:30,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,003 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,005 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,005 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,005 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:30,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:30,005 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:30,021 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,021 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,021 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:30,021 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,021 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,021 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,023 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,023 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,023 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:30,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:30,023 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:30,039 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,040 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,040 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:30,040 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,040 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,040 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,042 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,042 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,042 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:30,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:30,042 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:30,058 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,058 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,058 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:30,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,060 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,060 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:30,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:30,061 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:30,076 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,077 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,077 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:30,077 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,077 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,077 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,079 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,079 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:30,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:30,079 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:30,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,096 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,096 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:30,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,098 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:30,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:30,098 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:30,113 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,114 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,114 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:30,114 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:30,114 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:30,114 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,114 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:30,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,115 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,116 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,116 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:30,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:30,116 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:30,131 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,131 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,131 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:30,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:30,131 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,131 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:30,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,133 - INFO - number of orbitals:  90
-2024-12-09 10:29:30,133 - INFO - too many orbitals!  we are only considering max_num_orbitals 55.
-2024-12-09 10:29:30,133 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,133 - INFO - moving on ...
-2024-12-09 10:29:30,133 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:30,133 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:30,133 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:30,133 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,133 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:30,134 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,135 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,135 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,135 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:30,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:30,135 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:30,150 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,151 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,151 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:30,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:30,151 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,151 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:30,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,152 - INFO - number of orbitals:  118
-2024-12-09 10:29:30,153 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,153 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,153 - INFO - moving on ...
-2024-12-09 10:29:30,153 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:30,154 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,154 - INFO - number of orbitals:  68
-2024-12-09 10:29:30,154 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,154 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,154 - INFO - moving on ...
-2024-12-09 10:29:30,154 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:30,154 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:30,154 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:30,154 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,154 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:30,155 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,155 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,156 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,156 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:30,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:30,156 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:30,172 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,172 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,172 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:30,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:30,172 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,172 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:30,173 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,174 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,174 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,174 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,174 - INFO - moving on ...
-2024-12-09 10:29:30,174 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:30,174 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:30,174 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:30,174 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,174 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:30,175 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,175 - INFO - number of orbitals:  66
-2024-12-09 10:29:30,175 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,175 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,175 - INFO - moving on ...
-2024-12-09 10:29:30,175 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:30,176 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:30,176 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:30,176 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,176 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:30,176 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,176 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,176 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,178 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,178 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,178 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:30,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:30,178 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:30,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,196 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,196 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:30,196 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,196 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,196 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,198 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,198 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,198 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:30,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:30,198 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:30,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,214 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,214 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:30,214 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,216 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,216 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:30,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:30,216 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,233 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,233 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,233 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:30,233 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,233 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,233 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,235 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,236 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,236 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:30,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:30,236 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,253 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,253 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:30,253 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,253 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,253 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,256 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,256 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:30,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:30,256 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:30,272 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,273 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,273 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:30,273 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,273 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,273 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,275 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,275 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,275 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:30,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:30,275 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:30,292 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,293 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,293 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:30,293 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,293 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,293 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,294 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,295 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,295 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,295 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:30,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:30,295 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:30,312 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,312 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,312 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:30,312 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,313 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,313 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,315 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,315 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,315 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:30,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:30,315 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:30,332 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,333 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,333 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:30,333 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,333 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,333 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,335 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,335 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,336 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:30,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:30,336 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:30,355 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,356 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,356 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:30,356 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,356 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,356 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,359 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,359 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,359 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:30,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:30,359 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:30,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,382 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,382 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:30,382 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,382 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,382 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,384 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,384 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,384 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:30,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:30,385 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,401 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,402 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,402 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:30,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,404 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,404 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,404 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:30,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:30,404 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:30,422 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,423 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,423 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:30,423 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:30,423 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:30,423 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,423 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:30,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,426 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,426 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,426 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:30,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:30,426 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:30,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,444 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,445 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:30,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,447 - INFO - number of orbitals:  108
-2024-12-09 10:29:30,447 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,448 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,448 - INFO - moving on ...
-2024-12-09 10:29:30,448 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:30,448 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:30,448 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:30,448 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,448 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:30,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,450 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,450 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,450 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:30,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:30,450 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:30,467 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,467 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,468 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:30,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:30,468 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,468 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:30,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,469 - INFO - number of orbitals:  135
-2024-12-09 10:29:30,469 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,469 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,469 - INFO - moving on ...
-2024-12-09 10:29:30,469 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:30,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,471 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,471 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,471 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,471 - INFO - moving on ...
-2024-12-09 10:29:30,471 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:30,471 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:30,471 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:30,471 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,471 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:30,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,473 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,473 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,473 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:30,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:30,473 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:30,497 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,497 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,498 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:30,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:30,498 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,498 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:30,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,500 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,500 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,500 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,500 - INFO - moving on ...
-2024-12-09 10:29:30,500 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:30,500 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:30,500 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:30,501 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,501 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:30,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,503 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,503 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,503 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:30,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:30,503 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:30,524 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,525 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,525 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:30,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:30,525 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,525 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:30,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,527 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,527 - INFO - moving on ...
-2024-12-09 10:29:30,527 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:30,527 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:30,527 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:30,527 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,527 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:30,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,528 - INFO - number of orbitals:  76
-2024-12-09 10:29:30,528 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,528 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,528 - INFO - moving on ...
-2024-12-09 10:29:30,529 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:30,529 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:30,529 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:30,529 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,529 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:30,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,530 - INFO - number of orbitals:  76
-2024-12-09 10:29:30,530 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,530 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,530 - INFO - moving on ...
-2024-12-09 10:29:30,530 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:30,530 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:30,530 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:30,530 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,530 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:30,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,532 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,532 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,532 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:30,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:30,532 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:30,549 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,549 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,550 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:30,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:30,550 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,550 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:30,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,551 - INFO - number of orbitals:  118
-2024-12-09 10:29:30,551 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,551 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,552 - INFO - moving on ...
-2024-12-09 10:29:30,552 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:30,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,553 - INFO - number of orbitals:  68
-2024-12-09 10:29:30,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,553 - INFO - moving on ...
-2024-12-09 10:29:30,553 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:30,553 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:30,553 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:30,553 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,553 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:30,554 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,554 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,554 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,556 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,556 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,556 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:30,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:30,556 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,573 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,573 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,573 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:30,573 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,574 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,574 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,576 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,576 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,576 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:30,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:30,576 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:30,592 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,593 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,593 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:30,593 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,593 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,593 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,595 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,595 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,595 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:30,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:30,595 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:30,612 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,612 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,612 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:30,612 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,612 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,612 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,614 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,614 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,614 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:30,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:30,614 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:30,630 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,631 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,631 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:30,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,631 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,631 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,633 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,633 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,633 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:30,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:30,633 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:30,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,649 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,649 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:30,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,650 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,650 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,651 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,652 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,652 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:30,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:30,652 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:30,668 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,668 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,668 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:30,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,669 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,669 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,671 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,671 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,671 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:30,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:30,671 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:30,687 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,687 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,688 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:30,688 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,688 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,688 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,690 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,690 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,690 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:30,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:30,690 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:30,706 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,706 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,706 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:30,707 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:30,707 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:30,707 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,707 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:30,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,708 - INFO - number of orbitals:  76
-2024-12-09 10:29:30,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,708 - INFO - moving on ...
-2024-12-09 10:29:30,708 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:30,708 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:30,708 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:30,708 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,708 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:30,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,710 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,710 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,710 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:30,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:30,710 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:30,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,726 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,726 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:30,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:30,726 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,726 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:30,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,727 - INFO - number of orbitals:  76
-2024-12-09 10:29:30,727 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,727 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,728 - INFO - moving on ...
-2024-12-09 10:29:30,728 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:30,728 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:30,728 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:30,728 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,728 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:30,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,729 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,729 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:30,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:30,729 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:30,746 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,747 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,747 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:30,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:30,747 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,747 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:30,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,749 - INFO - number of orbitals:  119
-2024-12-09 10:29:30,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,749 - INFO - moving on ...
-2024-12-09 10:29:30,749 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:30,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,750 - INFO - number of orbitals:  62
-2024-12-09 10:29:30,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,750 - INFO - moving on ...
-2024-12-09 10:29:30,750 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:30,751 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:30,751 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:30,751 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,751 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:30,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,752 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,752 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,752 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:30,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:30,752 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:30,769 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,769 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,769 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:30,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:30,769 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,769 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:30,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,771 - INFO - number of orbitals:  135
-2024-12-09 10:29:30,771 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,771 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,771 - INFO - moving on ...
-2024-12-09 10:29:30,771 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:30,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,772 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,772 - INFO - moving on ...
-2024-12-09 10:29:30,772 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:30,772 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:30,772 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:30,773 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,773 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:30,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,774 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,774 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,774 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:30,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:30,774 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:30,791 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,791 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,791 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:30,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:30,791 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,791 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:30,792 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,793 - INFO - number of orbitals:  118
-2024-12-09 10:29:30,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,793 - INFO - moving on ...
-2024-12-09 10:29:30,793 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:30,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,794 - INFO - number of orbitals:  68
-2024-12-09 10:29:30,794 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,794 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,794 - INFO - moving on ...
-2024-12-09 10:29:30,794 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:30,795 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:30,795 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:30,795 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,795 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:30,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,796 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,796 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,796 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:30,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:30,796 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:30,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,813 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,813 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:30,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:30,813 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,813 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:30,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,815 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,815 - INFO - moving on ...
-2024-12-09 10:29:30,815 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:30,815 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:30,815 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:30,815 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,815 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:30,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,817 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,817 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:30,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:30,817 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:30,834 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,834 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,834 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:30,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:30,834 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,834 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:30,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,836 - INFO - number of orbitals:  110
-2024-12-09 10:29:30,836 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,836 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,836 - INFO - moving on ...
-2024-12-09 10:29:30,836 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:30,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,837 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,837 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,837 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:30,837 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:30,837 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:30,854 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,854 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,854 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:30,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:30,854 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,854 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:30,854 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:30,854 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:30,854 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,854 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:30,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,856 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,856 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,856 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:30,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:30,856 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:30,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,873 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,873 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:30,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:30,873 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,873 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:30,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,874 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,875 - INFO - moving on ...
-2024-12-09 10:29:30,875 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:30,875 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:30,875 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:30,875 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,875 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:30,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,876 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,876 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,876 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:30,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:30,876 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:30,892 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,893 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,893 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:30,893 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:30,893 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:30,893 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,893 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:30,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,895 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,895 - INFO - number of supporting files: 2
-2024-12-09 10:29:30,895 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:30,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:30,895 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:30,911 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,911 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,911 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:30,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:30,912 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:30,912 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:30,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,913 - INFO - number of orbitals:  88
-2024-12-09 10:29:30,913 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:30,913 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:30,913 - INFO - moving on ...
-2024-12-09 10:29:30,913 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:30,913 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:30,913 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:30,913 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,913 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:30,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,915 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,915 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,915 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:30,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:30,915 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:30,931 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,931 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,931 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:30,932 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:30,932 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:30,932 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:30,932 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:30,932 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,932 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,932 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,934 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,934 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,934 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:30,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:30,934 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:30,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,951 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,951 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:30,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,953 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,953 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,953 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:30,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:30,954 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:30,970 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,970 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,970 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:30,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,971 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,972 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,973 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:30,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:30,973 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:30,989 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:30,989 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:30,989 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:30,989 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:30,989 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:30,989 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:30,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:30,991 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:30,991 - INFO - number of supporting files: 1
-2024-12-09 10:29:30,991 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:30,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:30,991 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:31,007 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,008 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,008 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:31,008 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:31,008 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:31,008 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,008 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:31,009 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,010 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,010 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,010 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:31,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:31,010 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,026 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,026 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,026 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:31,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:31,027 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,027 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:31,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,028 - INFO - number of orbitals:  85
-2024-12-09 10:29:31,028 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,028 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,028 - INFO - moving on ...
-2024-12-09 10:29:31,028 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:31,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,030 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,030 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,030 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:31,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:31,030 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:31,046 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,046 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,046 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:31,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:31,046 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,046 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:31,047 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:31,047 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:31,047 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,047 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:31,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,048 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,048 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,048 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:31,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:31,048 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:31,064 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,065 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,065 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:31,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:31,065 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,065 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:31,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,066 - INFO - number of orbitals:  110
-2024-12-09 10:29:31,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,066 - INFO - moving on ...
-2024-12-09 10:29:31,067 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:31,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,068 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,068 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:31,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:31,068 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,084 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,084 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:31,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:31,085 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,085 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:31,085 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:31,085 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:31,085 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,085 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:31,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,086 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,087 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:31,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:31,087 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:31,103 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,103 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,103 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:31,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:31,103 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,103 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:31,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,105 - INFO - number of orbitals:  85
-2024-12-09 10:29:31,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,105 - INFO - moving on ...
-2024-12-09 10:29:31,105 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:31,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,106 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,106 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,106 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:31,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:31,106 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:31,123 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,123 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,123 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:31,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:31,123 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,123 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:31,124 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:31,124 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:31,124 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,124 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:31,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,125 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,125 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,125 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:31,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:31,125 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:31,141 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,142 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,142 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:31,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:31,142 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,142 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:31,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,143 - INFO - number of orbitals:  88
-2024-12-09 10:29:31,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,144 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,144 - INFO - moving on ...
-2024-12-09 10:29:31,144 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:31,144 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:31,144 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:31,144 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,144 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:31,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,145 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,145 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:31,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:31,145 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:31,161 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,162 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,162 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:31,162 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:31,162 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:31,162 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,162 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:31,162 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,162 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,163 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,165 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,165 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:31,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:31,165 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:31,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,182 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,182 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:31,183 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,183 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,183 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,185 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,185 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,185 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:31,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:31,185 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,202 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,202 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,202 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:31,202 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,204 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,205 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:31,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:31,205 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:31,220 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,221 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,221 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:31,221 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,221 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,221 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,223 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,223 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:31,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:31,223 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,239 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,240 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,240 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:31,240 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,240 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,240 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,242 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,242 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:31,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:31,242 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:31,259 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,259 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,259 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:31,259 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,259 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,260 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,262 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,262 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,262 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:31,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:31,262 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:31,279 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,279 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,279 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:31,279 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,279 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,279 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,281 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,281 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,282 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:31,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:31,282 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:31,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,299 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,299 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:31,299 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,299 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,299 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,301 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,301 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,301 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:31,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:31,301 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:31,317 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,318 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,318 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:31,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,318 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,318 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,320 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,320 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,320 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:31,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:31,320 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:31,337 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,337 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,337 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:31,337 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:31,338 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:31,338 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,338 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:31,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,339 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,339 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,339 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:31,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:31,339 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:31,356 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,356 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,356 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:31,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:31,356 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,357 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:31,358 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,358 - INFO - number of orbitals:  88
-2024-12-09 10:29:31,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,358 - INFO - moving on ...
-2024-12-09 10:29:31,358 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:31,358 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:31,358 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:31,358 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,358 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:31,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,360 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,360 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,360 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:31,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:31,360 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:31,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,377 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,377 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:31,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:31,377 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,378 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:31,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,379 - INFO - number of orbitals:  72
-2024-12-09 10:29:31,379 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,379 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,379 - INFO - moving on ...
-2024-12-09 10:29:31,379 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:31,379 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:31,379 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:31,379 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,380 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:31,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,381 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,381 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,381 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:31,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:31,381 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:31,398 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,398 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,398 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:31,398 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:31,398 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:31,398 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,399 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:31,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,400 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,400 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,400 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:31,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:31,400 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:31,417 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,417 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,418 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:31,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:31,418 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,418 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:31,418 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:31,418 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:31,418 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,418 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:31,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,420 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,420 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,420 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:31,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:31,420 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:31,436 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,437 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,437 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:31,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:31,437 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,437 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:31,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,439 - INFO - number of orbitals:  116
-2024-12-09 10:29:31,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,439 - INFO - moving on ...
-2024-12-09 10:29:31,439 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:31,439 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:31,439 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:31,439 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,439 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:31,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,440 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,440 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,440 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:31,440 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:31,440 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,459 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,460 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,460 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:31,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:31,460 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,460 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:31,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,462 - INFO - number of orbitals:  79
-2024-12-09 10:29:31,462 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,462 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,462 - INFO - moving on ...
-2024-12-09 10:29:31,462 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:31,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,464 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,464 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,464 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:31,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:31,464 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:31,480 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,481 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,481 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:31,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:31,481 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,481 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:31,481 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:31,481 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:31,481 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,482 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:31,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,484 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,484 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,484 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:31,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:31,484 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:31,500 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,500 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,500 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:31,500 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,500 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,500 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,502 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,502 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:31,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:31,502 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:31,519 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,519 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,519 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:31,519 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,520 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,520 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,521 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,521 - INFO - number of orbitals:  68
-2024-12-09 10:29:31,522 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,522 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,522 - INFO - moving on ...
-2024-12-09 10:29:31,522 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:31,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,524 - INFO - number of orbitals:  76
-2024-12-09 10:29:31,524 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,524 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,524 - INFO - moving on ...
-2024-12-09 10:29:31,524 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:31,524 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,524 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,524 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,526 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,526 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:31,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:31,526 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:31,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,543 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,543 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:31,543 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,543 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,543 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,545 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,545 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,545 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:31,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:31,545 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:31,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,562 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,562 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:31,562 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,564 - INFO - number of orbitals:  68
-2024-12-09 10:29:31,564 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,564 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,564 - INFO - moving on ...
-2024-12-09 10:29:31,564 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:31,564 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,564 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,566 - INFO - number of orbitals:  76
-2024-12-09 10:29:31,566 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,566 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,566 - INFO - moving on ...
-2024-12-09 10:29:31,566 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:31,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,566 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,566 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,568 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,568 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,568 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:31,568 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:31,568 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:31,585 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,585 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,585 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:31,585 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,585 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,585 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,586 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,587 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,587 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,587 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:31,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:31,587 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,604 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,604 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,604 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:31,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,605 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,605 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,607 - INFO - number of orbitals:  68
-2024-12-09 10:29:31,607 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,607 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,607 - INFO - moving on ...
-2024-12-09 10:29:31,607 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:31,607 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,607 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,607 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,609 - INFO - number of orbitals:  76
-2024-12-09 10:29:31,609 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,609 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,609 - INFO - moving on ...
-2024-12-09 10:29:31,609 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:31,609 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:31,609 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:31,609 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,609 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:31,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,610 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,610 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,611 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:31,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:31,611 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:31,627 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,628 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,628 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:31,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:31,628 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,628 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:31,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,629 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,629 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,630 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:31,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:31,630 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:31,646 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,646 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,647 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:31,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:31,647 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,647 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:31,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,648 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,648 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:31,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:31,648 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:31,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,665 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,665 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:31,665 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:31,665 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,665 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:31,665 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:31,665 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:31,665 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,665 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:31,667 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,667 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,667 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,667 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:31,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:31,667 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:31,683 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,684 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,684 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:31,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:31,684 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,684 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:31,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,685 - INFO - number of orbitals:  110
-2024-12-09 10:29:31,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,686 - INFO - moving on ...
-2024-12-09 10:29:31,686 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:31,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,687 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,687 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,687 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:31,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:31,687 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:31,703 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,704 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,704 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:31,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:31,704 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,704 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:31,704 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:31,704 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:31,704 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,704 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:31,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,706 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,706 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,706 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:31,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:31,706 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:31,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,724 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,724 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:31,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:31,724 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,724 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:31,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,726 - INFO - number of orbitals:  110
-2024-12-09 10:29:31,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,726 - INFO - moving on ...
-2024-12-09 10:29:31,726 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:31,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,727 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,727 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,727 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:31,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:31,727 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:31,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,744 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,744 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:31,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:31,744 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,744 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:31,745 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:31,745 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:31,745 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,745 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:31,745 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,745 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,745 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,747 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,747 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,747 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:31,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:31,747 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:31,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,764 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,764 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:31,764 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,767 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,767 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,767 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:31,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:31,767 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,784 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,784 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:31,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,786 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,786 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,786 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:31,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:31,786 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:31,803 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,803 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,803 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:31,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,805 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,805 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,805 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:31,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:31,806 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:31,821 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,822 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,822 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:31,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,824 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,824 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,824 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:31,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:31,824 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:31,840 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,841 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,841 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:31,841 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,841 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,841 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,843 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,843 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,843 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:31,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:31,843 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:31,860 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,860 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,860 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:31,861 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,861 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,861 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,862 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,863 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,863 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,863 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:31,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:31,863 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,879 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,880 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,880 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:31,880 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,880 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,880 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,881 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,882 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,882 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,882 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:31,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:31,882 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:31,898 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,899 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,899 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:31,899 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:31,899 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:31,899 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:31,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,901 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,901 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,901 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:31,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:31,902 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:31,918 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,918 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,919 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:31,919 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:31,919 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:31,919 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,919 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:31,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,921 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,921 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,921 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:31,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:31,921 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:31,937 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,938 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,938 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:31,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:31,938 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,938 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:31,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,939 - INFO - number of orbitals:  88
-2024-12-09 10:29:31,939 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,939 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,939 - INFO - moving on ...
-2024-12-09 10:29:31,940 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:31,940 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:31,940 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:31,940 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,940 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:31,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,941 - INFO - number of orbitals:  76
-2024-12-09 10:29:31,941 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,941 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,941 - INFO - moving on ...
-2024-12-09 10:29:31,941 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:31,941 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:31,941 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:31,941 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,941 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:31,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,943 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,943 - INFO - number of supporting files: 1
-2024-12-09 10:29:31,943 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:31,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:31,943 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:31,959 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,959 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,959 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:31,959 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:31,959 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:31,959 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,959 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:31,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,961 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,961 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,961 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:31,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:31,961 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:31,977 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,977 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,977 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:31,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:31,977 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,977 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:31,979 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,979 - INFO - number of orbitals:  74
-2024-12-09 10:29:31,979 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,979 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,979 - INFO - moving on ...
-2024-12-09 10:29:31,979 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:31,979 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:31,979 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:31,979 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,979 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:31,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,980 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:31,981 - INFO - number of supporting files: 2
-2024-12-09 10:29:31,981 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:31,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:31,981 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:31,997 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:31,997 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:31,997 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:31,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:31,997 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:31,997 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:31,998 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:31,998 - INFO - number of orbitals:  90
-2024-12-09 10:29:31,999 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:31,999 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:31,999 - INFO - moving on ...
-2024-12-09 10:29:31,999 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:31,999 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:31,999 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:31,999 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:31,999 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:32,000 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,000 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,000 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,000 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,000 - INFO - moving on ...
-2024-12-09 10:29:32,000 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:32,000 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:32,001 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:32,001 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,001 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:32,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,002 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,002 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,002 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:32,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:32,002 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:32,018 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,019 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,019 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:32,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:32,019 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,019 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:32,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,021 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,021 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,021 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,021 - INFO - moving on ...
-2024-12-09 10:29:32,021 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:32,021 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:32,021 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:32,021 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,021 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:32,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,022 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,023 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,023 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:32,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:32,023 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:32,039 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,039 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,039 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:32,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:32,040 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,040 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:32,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,041 - INFO - number of orbitals:  106
-2024-12-09 10:29:32,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,041 - INFO - moving on ...
-2024-12-09 10:29:32,041 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:32,041 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:32,041 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:32,041 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,041 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:32,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,043 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,043 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,043 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:32,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:32,043 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:32,059 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,060 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,060 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:32,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:32,060 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,060 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:32,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,061 - INFO - number of orbitals:  118
-2024-12-09 10:29:32,061 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,061 - INFO - moving on ...
-2024-12-09 10:29:32,061 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:32,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,063 - INFO - number of orbitals:  68
-2024-12-09 10:29:32,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,063 - INFO - moving on ...
-2024-12-09 10:29:32,063 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:32,063 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:32,063 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:32,063 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,063 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:32,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,064 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,064 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:32,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:32,064 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:32,081 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,081 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,081 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:32,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:32,081 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,081 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:32,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,083 - INFO - number of orbitals:  114
-2024-12-09 10:29:32,083 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,083 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,083 - INFO - moving on ...
-2024-12-09 10:29:32,083 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:32,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,084 - INFO - number of orbitals:  64
-2024-12-09 10:29:32,085 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,085 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,085 - INFO - moving on ...
-2024-12-09 10:29:32,085 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:32,085 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:32,085 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:32,085 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,085 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:32,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,086 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,086 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:32,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:32,086 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:32,103 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,103 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,103 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:32,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:32,103 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,103 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:32,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,105 - INFO - number of orbitals:  115
-2024-12-09 10:29:32,105 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,105 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,105 - INFO - moving on ...
-2024-12-09 10:29:32,105 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:32,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,106 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,106 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,106 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:32,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:32,106 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:32,122 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,122 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,123 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:32,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:32,123 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,123 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:32,123 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:32,123 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:32,123 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,123 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:32,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,124 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,125 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,125 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:32,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:32,125 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:32,141 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,141 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,141 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:32,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:32,141 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,141 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:32,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,143 - INFO - number of orbitals:  78
-2024-12-09 10:29:32,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,143 - INFO - moving on ...
-2024-12-09 10:29:32,143 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:32,143 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:32,143 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:32,143 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,143 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:32,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,145 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,145 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:32,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:32,145 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:32,161 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,161 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,161 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:32,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:32,162 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,162 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:32,162 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:32,162 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:32,162 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,162 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:32,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,163 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,163 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,163 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:32,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:32,164 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:32,180 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,181 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,181 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:32,181 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:32,181 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:32,181 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,181 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:32,182 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,182 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,183 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,183 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:32,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:32,183 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:32,199 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,199 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,199 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:32,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:32,200 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,200 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:32,201 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,201 - INFO - number of orbitals:  86
-2024-12-09 10:29:32,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,201 - INFO - moving on ...
-2024-12-09 10:29:32,201 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:32,201 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:32,201 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:32,201 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,202 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:32,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,203 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,203 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,203 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:32,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:32,203 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:32,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,220 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,220 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:32,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:32,220 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,220 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:32,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,221 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,221 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,221 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,221 - INFO - moving on ...
-2024-12-09 10:29:32,221 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:32,222 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:32,222 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:32,222 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,222 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:32,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,223 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,223 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:32,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:32,223 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:32,239 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,240 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,240 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:32,240 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:32,240 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:32,240 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,240 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:32,242 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,242 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,242 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:32,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:32,242 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:32,258 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,259 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,259 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:32,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:32,259 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,259 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:32,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,261 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,261 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,261 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,261 - INFO - moving on ...
-2024-12-09 10:29:32,261 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:32,261 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:32,261 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:32,261 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,261 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:32,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,262 - INFO - number of orbitals:  76
-2024-12-09 10:29:32,262 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,262 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,262 - INFO - moving on ...
-2024-12-09 10:29:32,262 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:32,263 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:32,263 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:32,263 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,263 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:32,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,264 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,264 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,264 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,264 - INFO - moving on ...
-2024-12-09 10:29:32,264 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:32,264 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:32,264 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:32,264 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,264 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:32,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,266 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,266 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:32,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:32,266 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:32,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,282 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,282 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:32,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:32,283 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,283 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:32,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,284 - INFO - number of orbitals:  116
-2024-12-09 10:29:32,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,284 - INFO - moving on ...
-2024-12-09 10:29:32,284 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:32,284 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:32,284 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:32,284 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,284 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:32,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,286 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,286 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,286 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:32,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:32,286 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:32,302 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,303 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,303 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:32,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:32,303 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,303 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:32,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,305 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,305 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,305 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,305 - INFO - moving on ...
-2024-12-09 10:29:32,305 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:32,305 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:32,305 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:32,305 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,305 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:32,306 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,306 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,306 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,306 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:32,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:32,306 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:32,323 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,323 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,323 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:32,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:32,323 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,323 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:32,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,325 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,325 - INFO - moving on ...
-2024-12-09 10:29:32,325 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:32,325 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:32,325 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:32,325 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,325 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:32,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,327 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,327 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,327 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:32,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:32,327 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:32,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,343 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,343 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:32,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:32,344 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,344 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:32,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,345 - INFO - number of orbitals:  110
-2024-12-09 10:29:32,345 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,345 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,345 - INFO - moving on ...
-2024-12-09 10:29:32,345 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:32,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,347 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,347 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,347 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:32,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:32,347 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:32,363 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,363 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,363 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:32,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:32,363 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,363 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:32,364 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:32,364 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:32,364 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,364 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:32,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,365 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,365 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,365 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:32,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:32,365 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:32,382 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,382 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,382 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:32,383 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:32,383 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,383 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:32,384 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,384 - INFO - number of orbitals:  135
-2024-12-09 10:29:32,384 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,384 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,384 - INFO - moving on ...
-2024-12-09 10:29:32,384 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:32,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,386 - INFO - number of orbitals:  88
-2024-12-09 10:29:32,386 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,386 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,386 - INFO - moving on ...
-2024-12-09 10:29:32,386 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:32,386 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:32,386 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:32,386 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,386 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:32,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,387 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,387 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,387 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:32,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:32,387 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:32,404 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,404 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,404 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:32,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:32,404 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,404 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:32,406 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,406 - INFO - number of orbitals:  119
-2024-12-09 10:29:32,406 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,406 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,406 - INFO - moving on ...
-2024-12-09 10:29:32,406 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:32,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,407 - INFO - number of orbitals:  62
-2024-12-09 10:29:32,407 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,408 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,408 - INFO - moving on ...
-2024-12-09 10:29:32,408 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:32,408 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:32,408 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:32,408 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,408 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:32,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,409 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,409 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:32,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:32,409 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:32,426 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,427 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,427 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:32,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:32,427 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,427 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:32,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,428 - INFO - number of orbitals:  64
-2024-12-09 10:29:32,428 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,428 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,428 - INFO - moving on ...
-2024-12-09 10:29:32,428 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:32,428 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:32,428 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:32,428 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,429 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:32,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,430 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,430 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:32,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:32,430 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:32,446 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,446 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,446 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:32,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:32,446 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,446 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:32,447 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:32,447 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:32,447 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,447 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:32,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,448 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,448 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,448 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:32,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:32,448 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:32,465 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,465 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,465 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:32,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:32,466 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,466 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:32,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,467 - INFO - number of orbitals:  89
-2024-12-09 10:29:32,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,467 - INFO - moving on ...
-2024-12-09 10:29:32,467 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:32,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,468 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,468 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,468 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:32,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:32,469 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:32,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,485 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,485 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:32,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:32,485 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,485 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:32,486 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:32,486 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:32,486 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,486 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:32,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,487 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,487 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,487 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:32,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:32,487 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:32,503 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,504 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,504 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:32,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:32,504 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,504 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:32,505 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,505 - INFO - number of orbitals:  94
-2024-12-09 10:29:32,505 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,505 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,506 - INFO - moving on ...
-2024-12-09 10:29:32,506 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:32,506 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:32,506 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:32,506 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,506 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:32,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,507 - INFO - number of orbitals:  70
-2024-12-09 10:29:32,507 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,507 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,507 - INFO - moving on ...
-2024-12-09 10:29:32,507 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:32,507 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:32,507 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:32,507 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,507 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:32,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,509 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,509 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,509 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:32,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:32,509 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:32,527 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,527 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,528 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:32,528 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:32,528 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,528 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:32,530 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,531 - INFO - number of orbitals:  79
-2024-12-09 10:29:32,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,531 - INFO - moving on ...
-2024-12-09 10:29:32,531 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:32,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,534 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,534 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:32,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:32,534 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:32,552 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,553 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,553 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:32,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:32,553 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,553 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:32,553 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:32,553 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:32,553 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,553 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:32,553 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,553 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,553 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,555 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,555 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,555 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:32,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:32,555 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:32,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,571 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,572 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:32,572 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,572 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,572 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,574 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,574 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,574 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:32,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:32,574 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:32,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,590 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,590 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:32,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,592 - INFO - number of orbitals:  90
-2024-12-09 10:29:32,592 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,592 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,592 - INFO - moving on ...
-2024-12-09 10:29:32,592 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:32,592 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,593 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,593 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,594 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,594 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,595 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:32,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:32,595 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:32,611 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,612 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,612 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:32,612 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,612 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,612 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,614 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,614 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,614 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:32,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:32,614 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:32,631 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,631 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,631 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:32,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,633 - INFO - number of orbitals:  90
-2024-12-09 10:29:32,633 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,634 - INFO - moving on ...
-2024-12-09 10:29:32,634 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:32,634 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:32,634 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:32,634 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,634 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:32,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,635 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:32,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:32,635 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:32,652 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,653 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,653 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:32,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:32,653 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,653 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:32,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,654 - INFO - number of orbitals:  115
-2024-12-09 10:29:32,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,655 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,655 - INFO - moving on ...
-2024-12-09 10:29:32,655 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:32,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,656 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,656 - INFO - number of supporting files: 2
-2024-12-09 10:29:32,656 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:32,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:32,656 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:32,674 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,675 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,675 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:32,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:32,675 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:32,675 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:32,675 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:32,675 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:32,675 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,675 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:32,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,677 - INFO - number of orbitals:  76
-2024-12-09 10:29:32,677 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,677 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,677 - INFO - moving on ...
-2024-12-09 10:29:32,677 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:32,677 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:32,677 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:32,677 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,677 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:32,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,679 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,679 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,679 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:32,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:32,679 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:32,696 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,697 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,697 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:32,697 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:32,697 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:32,697 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,697 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:32,697 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,700 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,700 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,700 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:32,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:32,700 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:32,717 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,718 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,718 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:32,718 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,720 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,720 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,720 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:32,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:32,720 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:32,735 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,736 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,736 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:32,736 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,736 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,736 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,738 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,738 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,738 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:32,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:32,738 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:32,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,754 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,754 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:32,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,757 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,757 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:32,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:32,757 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:32,773 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,773 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,773 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:32,773 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,775 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,775 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,775 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:32,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:32,776 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:32,792 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,792 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,792 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:32,792 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,792 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,792 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,794 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,794 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,794 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:32,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:32,794 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:32,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,811 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,811 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:32,811 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:32,811 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:32,811 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,811 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:32,811 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,811 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,811 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,813 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,813 - INFO - moving on ...
-2024-12-09 10:29:32,813 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:32,813 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,813 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,815 - INFO - number of orbitals:  70
-2024-12-09 10:29:32,815 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,815 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,815 - INFO - moving on ...
-2024-12-09 10:29:32,815 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:32,815 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,815 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,816 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,817 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,817 - INFO - moving on ...
-2024-12-09 10:29:32,817 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:32,817 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:32,817 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:32,817 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,817 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:32,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,819 - INFO - number of orbitals:  76
-2024-12-09 10:29:32,819 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,819 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,819 - INFO - moving on ...
-2024-12-09 10:29:32,819 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:32,819 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:32,820 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:32,820 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:32,820 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:32,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,820 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,821 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,822 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,822 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:32,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:32,822 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:32,838 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,838 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,838 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:32,838 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,838 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,838 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,840 - INFO - number of orbitals:  70
-2024-12-09 10:29:32,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,840 - INFO - moving on ...
-2024-12-09 10:29:32,840 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:32,840 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,840 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,840 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,842 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,842 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,842 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:32,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:32,842 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:32,859 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,860 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,860 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:32,860 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,862 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,862 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,862 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,862 - INFO - moving on ...
-2024-12-09 10:29:32,862 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:32,862 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,862 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,862 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,863 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,864 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,864 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,864 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:32,864 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:32,864 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:32,881 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,882 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,882 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:32,882 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,882 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,882 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,884 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,884 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,884 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:32,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:32,884 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:32,901 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,901 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,901 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:32,901 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,904 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,904 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,904 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:32,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:32,904 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:32,920 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,920 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,920 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:32,920 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,921 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,921 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,922 - INFO - number of orbitals:  69
-2024-12-09 10:29:32,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:32,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:32,923 - INFO - moving on ...
-2024-12-09 10:29:32,923 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:32,923 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,923 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,923 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,925 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,925 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,925 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:32,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:32,925 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:32,942 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,942 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,942 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:32,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,942 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,942 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,945 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,945 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:32,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:32,945 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:32,961 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,961 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,962 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:32,962 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,962 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,962 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,964 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,964 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,964 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:32,964 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:32,964 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:32,980 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:32,981 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:32,981 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:32,981 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:32,981 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:32,981 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:32,982 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:32,983 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:32,983 - INFO - number of supporting files: 1
-2024-12-09 10:29:32,983 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:32,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:32,983 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:32,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,000 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,000 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:33,000 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,000 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,000 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,002 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,002 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,002 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:33,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:33,002 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:33,018 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,019 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,019 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:33,019 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,019 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,019 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,021 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,021 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,021 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:33,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:33,021 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:33,038 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,038 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,038 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:33,038 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,038 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,038 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,041 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,041 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,041 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:33,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:33,041 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:33,057 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,058 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,058 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:33,058 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,058 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,058 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,060 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,060 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:33,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:33,060 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:33,076 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,076 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,076 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:33,077 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:33,077 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:33,077 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,077 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:33,078 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,078 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,078 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,078 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:33,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:33,078 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:33,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,095 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,095 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:33,095 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:33,095 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,095 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:33,096 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,097 - INFO - number of orbitals:  90
-2024-12-09 10:29:33,097 - INFO - too many orbitals!  we are only considering max_num_orbitals 60.
-2024-12-09 10:29:33,097 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,097 - INFO - moving on ...
-2024-12-09 10:29:33,097 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:33,097 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:33,097 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:33,097 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,097 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:33,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,098 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,098 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:33,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:33,099 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:33,114 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,115 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,115 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:33,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:33,115 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,115 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:33,116 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,117 - INFO - number of orbitals:  118
-2024-12-09 10:29:33,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,117 - INFO - moving on ...
-2024-12-09 10:29:33,117 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:33,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,118 - INFO - number of orbitals:  68
-2024-12-09 10:29:33,118 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,118 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,118 - INFO - moving on ...
-2024-12-09 10:29:33,118 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:33,118 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:33,118 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:33,118 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,118 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:33,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,120 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,120 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,120 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:33,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:33,120 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:33,136 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,137 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,137 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:33,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:33,137 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,137 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:33,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,138 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,139 - INFO - moving on ...
-2024-12-09 10:29:33,139 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:33,139 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:33,139 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:33,139 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,139 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:33,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,140 - INFO - number of orbitals:  66
-2024-12-09 10:29:33,140 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,140 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,140 - INFO - moving on ...
-2024-12-09 10:29:33,140 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:33,141 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:33,141 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:33,141 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,141 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:33,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,143 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,143 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,143 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:33,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:33,143 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:33,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,160 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,160 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:33,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,162 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,162 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,162 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:33,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:33,162 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:33,179 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,179 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,179 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:33,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,181 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,182 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,182 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:33,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:33,182 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,199 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,199 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:33,199 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,199 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,199 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,201 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,201 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,201 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:33,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:33,201 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,218 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,218 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,218 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:33,218 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,219 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,219 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,221 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,221 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,221 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:33,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:33,221 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:33,238 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,238 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,238 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:33,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,240 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,240 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:33,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:33,240 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:33,259 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,259 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,259 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:33,259 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,259 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,259 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,261 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,261 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,261 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:33,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:33,262 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:33,278 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,279 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,279 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:33,279 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,279 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,279 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,281 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,281 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,281 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:33,281 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:33,282 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:33,298 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,299 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,299 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:33,299 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,299 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,299 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,301 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,301 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,301 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:33,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:33,301 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:33,318 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,319 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,319 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:33,319 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,319 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,319 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,321 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,321 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,321 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:33,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:33,321 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:33,337 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,338 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,338 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:33,338 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,338 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,338 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,340 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,340 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,340 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:33,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:33,340 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,357 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,357 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:33,357 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,358 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,358 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,360 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,360 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,360 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:33,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:33,360 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:33,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,378 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,378 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:33,378 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:33,378 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:33,378 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,378 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:33,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,380 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,380 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,380 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:33,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:33,380 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:33,397 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,397 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,397 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:33,397 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,398 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,398 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,399 - INFO - number of orbitals:  108
-2024-12-09 10:29:33,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,400 - INFO - moving on ...
-2024-12-09 10:29:33,400 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:33,400 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:33,400 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:33,400 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,400 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:33,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,401 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,401 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,401 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:33,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:33,402 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:33,419 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,419 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,419 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:33,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:33,419 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,420 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:33,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,421 - INFO - number of orbitals:  135
-2024-12-09 10:29:33,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,421 - INFO - moving on ...
-2024-12-09 10:29:33,421 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:33,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,423 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,423 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,423 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,423 - INFO - moving on ...
-2024-12-09 10:29:33,423 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:33,423 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:33,423 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:33,423 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,423 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:33,424 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,424 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,424 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,424 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:33,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:33,425 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:33,441 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,441 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,441 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:33,441 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:33,441 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,441 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:33,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,443 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,443 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,443 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,443 - INFO - moving on ...
-2024-12-09 10:29:33,443 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:33,443 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:33,443 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:33,443 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,443 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:33,444 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,444 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,445 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,445 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:33,445 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:33,445 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:33,461 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,461 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,461 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:33,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:33,462 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,462 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:33,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,463 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,463 - INFO - moving on ...
-2024-12-09 10:29:33,463 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:33,463 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:33,464 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:33,464 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,464 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:33,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,465 - INFO - number of orbitals:  76
-2024-12-09 10:29:33,465 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,465 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,465 - INFO - moving on ...
-2024-12-09 10:29:33,465 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:33,465 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:33,465 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:33,465 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,465 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:33,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,467 - INFO - number of orbitals:  76
-2024-12-09 10:29:33,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,467 - INFO - moving on ...
-2024-12-09 10:29:33,467 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:33,467 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:33,467 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:33,467 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,467 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:33,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,469 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,469 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:33,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:33,469 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:33,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,486 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,486 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:33,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:33,486 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,486 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:33,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,487 - INFO - number of orbitals:  118
-2024-12-09 10:29:33,488 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,488 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,488 - INFO - moving on ...
-2024-12-09 10:29:33,488 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:33,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,489 - INFO - number of orbitals:  68
-2024-12-09 10:29:33,489 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,489 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,489 - INFO - moving on ...
-2024-12-09 10:29:33,489 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:33,489 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:33,489 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:33,489 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,489 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:33,489 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,490 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,490 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,491 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,491 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,491 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:33,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:33,492 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,515 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,515 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,515 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:33,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,518 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,518 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:33,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:33,518 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:33,534 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,535 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,535 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:33,535 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,535 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,537 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,537 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,537 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:33,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:33,537 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:33,554 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,554 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,554 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:33,554 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,554 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,554 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,556 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,556 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,557 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:33,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:33,557 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:33,573 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,574 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,574 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:33,574 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,574 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,574 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,576 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,576 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,576 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:33,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:33,576 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:33,593 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,593 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,593 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:33,593 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,593 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,593 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,595 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,595 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,595 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,595 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:33,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:33,596 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:33,612 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,612 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,612 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:33,612 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,613 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,613 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,614 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,615 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,615 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:33,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:33,615 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:33,631 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,631 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,631 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:33,631 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,631 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,631 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,633 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,633 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,633 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:33,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:33,634 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:33,651 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,652 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,652 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:33,652 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:33,652 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:33,652 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,652 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:33,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,654 - INFO - number of orbitals:  76
-2024-12-09 10:29:33,654 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,654 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,654 - INFO - moving on ...
-2024-12-09 10:29:33,654 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:33,654 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:33,654 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:33,654 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,654 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:33,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,656 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,656 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,656 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:33,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:33,656 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:33,672 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,672 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,672 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:33,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:33,672 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,673 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:33,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,674 - INFO - number of orbitals:  76
-2024-12-09 10:29:33,674 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,674 - INFO - moving on ...
-2024-12-09 10:29:33,674 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:33,674 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:33,674 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:33,674 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,674 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:33,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,676 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,676 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,676 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:33,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:33,676 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:33,693 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,694 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,694 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:33,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:33,694 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,694 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:33,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,696 - INFO - number of orbitals:  119
-2024-12-09 10:29:33,696 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,696 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,696 - INFO - moving on ...
-2024-12-09 10:29:33,696 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:33,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,697 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,697 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,697 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:33,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:33,697 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:33,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,714 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,714 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:33,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:33,714 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,714 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:33,714 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:33,715 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:33,715 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,715 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:33,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,716 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,716 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,716 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:33,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:33,716 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:33,733 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,734 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,734 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:33,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:33,734 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,734 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:33,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,736 - INFO - number of orbitals:  135
-2024-12-09 10:29:33,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,736 - INFO - moving on ...
-2024-12-09 10:29:33,736 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:33,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,737 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,737 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,737 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,737 - INFO - moving on ...
-2024-12-09 10:29:33,737 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:33,737 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:33,737 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:33,737 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,737 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:33,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,739 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,739 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,739 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:33,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:33,739 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:33,755 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,756 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,756 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:33,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:33,756 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,756 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:33,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,758 - INFO - number of orbitals:  118
-2024-12-09 10:29:33,758 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,758 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,758 - INFO - moving on ...
-2024-12-09 10:29:33,758 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:33,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,759 - INFO - number of orbitals:  68
-2024-12-09 10:29:33,759 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,759 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,759 - INFO - moving on ...
-2024-12-09 10:29:33,759 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:33,759 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:33,759 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:33,759 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,759 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:33,760 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,761 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,761 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,761 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:33,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:33,761 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:33,778 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,779 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,779 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:33,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:33,779 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,779 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:33,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,780 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,780 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,780 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,780 - INFO - moving on ...
-2024-12-09 10:29:33,780 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:33,781 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:33,781 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:33,781 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,781 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:33,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,782 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,782 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,782 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:33,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:33,782 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:33,799 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,799 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,799 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:33,799 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:33,799 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,799 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:33,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,801 - INFO - number of orbitals:  110
-2024-12-09 10:29:33,801 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,801 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,801 - INFO - moving on ...
-2024-12-09 10:29:33,801 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:33,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,802 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,802 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,802 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:33,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:33,803 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:33,819 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,819 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,819 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:33,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:33,819 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,819 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:33,819 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:33,819 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:33,819 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,819 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:33,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,821 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,821 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,821 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:33,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:33,821 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:33,837 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,838 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,838 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:33,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:33,838 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,838 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:33,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,840 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,840 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,840 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,840 - INFO - moving on ...
-2024-12-09 10:29:33,840 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:33,840 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:33,840 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:33,840 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,840 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:33,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,841 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,841 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:33,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:33,841 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:33,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,858 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,858 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:33,858 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:33,858 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:33,858 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,858 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:33,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,859 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,859 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,859 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:33,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:33,860 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:33,875 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,876 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,876 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:33,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:33,876 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,876 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:33,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,877 - INFO - number of orbitals:  88
-2024-12-09 10:29:33,878 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,878 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,878 - INFO - moving on ...
-2024-12-09 10:29:33,878 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:33,878 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:33,878 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:33,878 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,878 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:33,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,879 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,879 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,879 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:33,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:33,879 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:33,895 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,896 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,896 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:33,896 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:33,896 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:33,896 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,896 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:33,896 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,896 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,896 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,898 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,898 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:33,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:33,898 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:33,915 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,915 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,915 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:33,915 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,915 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,916 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,918 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,918 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,918 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:33,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:33,918 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:33,934 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,934 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,934 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:33,934 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,935 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,935 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,936 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,937 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,937 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:33,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:33,937 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:33,952 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,953 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,953 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:33,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:33,953 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:33,953 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:33,954 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,955 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,955 - INFO - number of supporting files: 1
-2024-12-09 10:29:33,955 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:33,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:33,955 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:33,972 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,972 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,972 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:33,972 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:33,972 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:33,972 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:33,972 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:33,974 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,974 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,974 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,974 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:33,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:33,974 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:33,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:33,991 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:33,991 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:33,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:33,992 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:33,992 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:33,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,993 - INFO - number of orbitals:  85
-2024-12-09 10:29:33,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:33,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:33,993 - INFO - moving on ...
-2024-12-09 10:29:33,993 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:33,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:33,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:33,994 - INFO - number of supporting files: 2
-2024-12-09 10:29:33,994 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:33,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:33,995 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:34,011 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,011 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,011 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:34,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:34,011 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,011 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:34,012 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:34,012 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:34,012 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,012 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:34,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,013 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,013 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:34,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:34,013 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:34,029 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,030 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,030 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:34,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:34,030 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,030 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:34,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,031 - INFO - number of orbitals:  110
-2024-12-09 10:29:34,031 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,031 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,031 - INFO - moving on ...
-2024-12-09 10:29:34,031 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:34,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,033 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,033 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,033 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:34,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:34,033 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,049 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,049 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:34,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:34,049 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,049 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:34,049 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:34,049 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:34,049 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,049 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:34,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,051 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,051 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,051 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:34,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:34,051 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:34,068 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,068 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,068 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:34,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:34,068 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,068 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:34,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,070 - INFO - number of orbitals:  85
-2024-12-09 10:29:34,070 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,070 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,070 - INFO - moving on ...
-2024-12-09 10:29:34,070 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:34,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,071 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,071 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,071 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:34,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:34,072 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:34,089 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,089 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,089 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:34,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:34,089 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,089 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:34,090 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:34,090 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:34,090 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,090 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:34,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,091 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,091 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:34,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:34,091 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:34,109 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,109 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,109 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:34,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:34,109 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,109 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:34,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,111 - INFO - number of orbitals:  88
-2024-12-09 10:29:34,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,111 - INFO - moving on ...
-2024-12-09 10:29:34,111 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:34,111 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:34,111 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:34,111 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,111 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:34,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,112 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,112 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,112 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:34,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:34,113 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:34,129 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,129 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,129 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:34,130 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:34,130 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:34,130 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,130 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:34,130 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,130 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,130 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,131 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,132 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,132 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,132 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:34,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:34,132 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:34,148 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,148 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,148 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:34,149 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,149 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,149 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,151 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,151 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:34,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:34,151 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,168 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,168 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:34,168 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,168 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,168 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,170 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,170 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:34,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:34,170 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:34,186 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,186 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,186 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:34,187 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,187 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,187 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,189 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,189 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:34,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:34,189 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,205 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,205 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,205 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:34,205 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,205 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,207 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,207 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:34,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:34,207 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:34,224 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,225 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,225 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:34,225 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,225 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,225 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,227 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,227 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:34,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:34,227 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:34,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,244 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,244 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:34,244 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,246 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,246 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,246 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:34,246 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:34,246 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:34,263 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,263 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,263 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:34,263 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,264 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,264 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,266 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,266 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:34,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:34,266 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:34,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,283 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,283 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:34,283 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,283 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,285 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,285 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,285 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:34,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:34,285 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:34,301 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,302 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,302 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:34,302 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:34,302 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:34,302 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,302 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:34,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,303 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,303 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,303 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:34,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:34,304 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:34,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,320 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,320 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:34,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:34,320 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,320 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:34,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,321 - INFO - number of orbitals:  88
-2024-12-09 10:29:34,321 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,322 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,322 - INFO - moving on ...
-2024-12-09 10:29:34,322 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:34,322 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:34,322 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:34,322 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,322 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:34,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,323 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,323 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,323 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:34,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:34,323 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:34,339 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,340 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,340 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:34,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:34,340 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,340 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:34,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,342 - INFO - number of orbitals:  72
-2024-12-09 10:29:34,342 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,342 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,342 - INFO - moving on ...
-2024-12-09 10:29:34,342 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:34,342 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:34,342 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:34,342 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,342 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:34,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,343 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,343 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,344 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:34,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:34,344 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:34,362 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,362 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,362 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:34,362 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:34,362 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:34,362 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,363 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:34,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,364 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,364 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,364 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:34,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:34,364 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:34,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,382 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,382 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:34,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:34,382 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,382 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:34,382 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:34,382 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:34,382 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,382 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:34,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,384 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,384 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,384 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:34,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:34,384 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:34,400 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,401 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,401 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:34,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:34,401 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,401 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:34,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,403 - INFO - number of orbitals:  116
-2024-12-09 10:29:34,403 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,403 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,403 - INFO - moving on ...
-2024-12-09 10:29:34,403 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:34,403 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:34,403 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:34,403 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,403 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:34,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,404 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,404 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,404 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:34,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:34,405 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:34,421 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,422 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,422 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:34,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:34,422 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,422 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:34,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,424 - INFO - number of orbitals:  79
-2024-12-09 10:29:34,424 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,424 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,424 - INFO - moving on ...
-2024-12-09 10:29:34,424 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:34,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,425 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,425 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,425 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:34,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:34,426 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:34,443 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,444 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,444 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:34,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:34,444 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,444 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:34,444 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:34,444 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:34,444 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,444 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:34,444 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,447 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,447 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:34,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:34,447 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:34,463 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,464 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,464 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:34,464 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,464 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,464 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,466 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,466 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,466 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:34,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:34,466 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:34,482 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,483 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,483 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:34,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,485 - INFO - number of orbitals:  68
-2024-12-09 10:29:34,485 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,485 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,485 - INFO - moving on ...
-2024-12-09 10:29:34,485 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:34,485 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,485 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,485 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,487 - INFO - number of orbitals:  76
-2024-12-09 10:29:34,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,487 - INFO - moving on ...
-2024-12-09 10:29:34,487 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:34,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,489 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,489 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,489 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:34,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:34,489 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:34,506 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,507 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,507 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:34,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,507 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,507 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,508 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,509 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,509 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,509 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:34,509 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:34,509 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:34,525 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,525 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,525 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:34,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,526 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,526 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,527 - INFO - number of orbitals:  68
-2024-12-09 10:29:34,527 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,527 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,528 - INFO - moving on ...
-2024-12-09 10:29:34,528 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:34,528 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,528 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,528 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,529 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,529 - INFO - number of orbitals:  76
-2024-12-09 10:29:34,529 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,529 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,529 - INFO - moving on ...
-2024-12-09 10:29:34,529 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:34,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,530 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,531 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,531 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,531 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:34,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:34,531 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:34,548 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,548 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,548 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:34,548 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,548 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,548 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,550 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,550 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,550 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:34,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:34,551 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:34,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,567 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,567 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:34,568 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,568 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,570 - INFO - number of orbitals:  68
-2024-12-09 10:29:34,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,570 - INFO - moving on ...
-2024-12-09 10:29:34,570 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:34,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,572 - INFO - number of orbitals:  76
-2024-12-09 10:29:34,572 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,572 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,572 - INFO - moving on ...
-2024-12-09 10:29:34,572 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:34,572 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:34,572 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:34,572 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,572 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:34,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,574 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,574 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,574 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:34,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:34,574 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:34,590 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,591 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,591 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:34,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:34,591 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,591 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:34,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,592 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,592 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:34,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:34,592 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:34,608 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,609 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,609 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:34,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:34,609 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,609 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:34,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,611 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,611 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,611 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:34,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:34,611 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:34,627 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,627 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,627 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:34,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:34,628 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,628 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:34,628 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:34,628 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:34,628 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,628 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:34,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,629 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,629 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,629 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:34,629 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:34,630 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:34,646 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,647 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,647 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:34,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:34,647 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,647 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:34,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,648 - INFO - number of orbitals:  110
-2024-12-09 10:29:34,648 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,648 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,648 - INFO - moving on ...
-2024-12-09 10:29:34,648 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:34,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,650 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,650 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:34,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:34,650 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:34,666 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,666 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,666 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:34,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:34,666 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,666 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:34,666 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:34,666 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:34,667 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,667 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:34,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,668 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,668 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,668 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:34,668 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:34,668 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:34,684 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,685 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,685 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:34,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:34,685 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,685 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:34,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,686 - INFO - number of orbitals:  110
-2024-12-09 10:29:34,686 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,686 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,686 - INFO - moving on ...
-2024-12-09 10:29:34,686 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:34,687 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,687 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,687 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,688 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:34,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:34,688 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:34,703 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,704 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,704 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:34,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:34,704 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,704 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:34,704 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:34,704 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:34,704 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,704 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:34,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,707 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,707 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,707 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:34,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:34,707 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:34,723 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,723 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,723 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:34,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,725 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,725 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,725 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:34,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:34,725 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,742 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,742 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,742 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:34,743 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,743 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,743 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,745 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,745 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,745 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:34,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:34,745 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:34,768 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,768 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,769 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:34,769 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,769 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,769 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,771 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,771 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,772 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:34,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:34,772 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:34,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,794 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,794 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:34,794 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,797 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,797 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:34,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:34,797 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:34,814 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,814 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,814 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:34,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,816 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,816 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:34,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:34,816 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:34,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,833 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,833 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:34,833 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,836 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,836 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:34,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:34,836 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:34,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,853 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,853 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:34,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,855 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,855 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:34,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:34,855 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:34,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,872 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,872 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:34,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:34,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:34,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:34,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,875 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:34,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:34,875 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:34,894 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,894 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,894 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:34,895 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:34,895 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:34,895 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,895 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:34,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,897 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,897 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,897 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:34,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:34,897 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:34,919 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,920 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,920 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:34,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:34,920 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,920 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:34,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,923 - INFO - number of orbitals:  88
-2024-12-09 10:29:34,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,923 - INFO - moving on ...
-2024-12-09 10:29:34,923 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:34,923 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:34,923 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:34,923 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,923 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:34,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,925 - INFO - number of orbitals:  76
-2024-12-09 10:29:34,925 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,925 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,925 - INFO - moving on ...
-2024-12-09 10:29:34,926 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:34,926 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:34,926 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:34,926 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,926 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:34,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,928 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,928 - INFO - number of supporting files: 1
-2024-12-09 10:29:34,928 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:34,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:34,928 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:34,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,950 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,951 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:34,951 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:34,951 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:34,951 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,951 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:34,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,953 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,954 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,954 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:34,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:34,954 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:34,977 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:34,978 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:34,978 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:34,978 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:34,978 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:34,978 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:34,980 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,980 - INFO - number of orbitals:  74
-2024-12-09 10:29:34,981 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:34,981 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:34,981 - INFO - moving on ...
-2024-12-09 10:29:34,981 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:34,981 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:34,981 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:34,981 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:34,981 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:34,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:34,983 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:34,983 - INFO - number of supporting files: 2
-2024-12-09 10:29:34,983 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:34,983 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:34,983 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:35,007 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,008 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,008 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:35,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:35,008 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,008 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:35,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,010 - INFO - number of orbitals:  90
-2024-12-09 10:29:35,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,011 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,011 - INFO - moving on ...
-2024-12-09 10:29:35,011 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:35,011 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:35,011 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:35,011 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,011 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:35,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,013 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,013 - INFO - moving on ...
-2024-12-09 10:29:35,013 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:35,013 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:35,013 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:35,013 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,013 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:35,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,015 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,015 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,015 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:35,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:35,015 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:35,037 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,037 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,037 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:35,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:35,038 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,038 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:35,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,040 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,040 - INFO - moving on ...
-2024-12-09 10:29:35,040 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:35,040 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:35,040 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:35,040 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,040 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:35,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,042 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,042 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,043 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:35,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:35,043 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:35,064 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,064 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,065 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:35,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:35,065 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,065 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:35,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,066 - INFO - number of orbitals:  106
-2024-12-09 10:29:35,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,067 - INFO - moving on ...
-2024-12-09 10:29:35,067 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:35,067 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:35,067 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:35,067 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,067 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:35,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,068 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,068 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:35,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:35,068 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:35,086 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,086 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,086 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:35,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:35,086 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,086 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:35,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,088 - INFO - number of orbitals:  118
-2024-12-09 10:29:35,088 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,088 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,088 - INFO - moving on ...
-2024-12-09 10:29:35,088 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:35,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,090 - INFO - number of orbitals:  68
-2024-12-09 10:29:35,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,090 - INFO - moving on ...
-2024-12-09 10:29:35,090 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:35,090 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:35,090 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:35,090 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,090 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:35,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,091 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,091 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:35,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:35,092 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:35,109 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,109 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,109 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:35,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:35,110 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,110 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:35,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,111 - INFO - number of orbitals:  114
-2024-12-09 10:29:35,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,111 - INFO - moving on ...
-2024-12-09 10:29:35,111 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:35,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,113 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,113 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,113 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:35,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:35,113 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:35,130 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,131 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,131 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:35,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:35,131 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,131 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:35,131 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:35,131 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:35,131 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,131 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:35,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,133 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,133 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,133 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:35,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:35,133 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:35,150 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,150 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,150 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:35,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:35,150 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,150 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:35,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,152 - INFO - number of orbitals:  115
-2024-12-09 10:29:35,152 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,152 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,152 - INFO - moving on ...
-2024-12-09 10:29:35,152 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:35,153 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,153 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,153 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,153 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:35,153 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:35,153 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:35,170 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,170 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,170 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:35,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:35,170 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,170 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:35,171 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:35,171 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:35,171 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,171 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:35,172 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,172 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,172 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,172 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:35,172 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:35,172 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:35,188 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,189 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,189 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:35,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:35,189 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,189 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:35,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,191 - INFO - number of orbitals:  78
-2024-12-09 10:29:35,191 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,191 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,191 - INFO - moving on ...
-2024-12-09 10:29:35,191 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:35,191 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:35,191 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:35,191 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,191 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:35,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,192 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,192 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,192 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:35,192 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:35,192 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:35,209 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,209 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,209 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:35,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:35,209 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,209 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:35,209 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:35,210 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:35,210 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,210 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:35,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,211 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,211 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,211 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:35,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:35,211 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:35,228 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,228 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,228 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:35,228 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:35,228 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:35,228 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,229 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:35,230 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,230 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,230 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,230 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:35,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:35,230 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:35,247 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,247 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,247 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:35,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:35,247 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,247 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:35,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,249 - INFO - number of orbitals:  86
-2024-12-09 10:29:35,249 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,249 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,249 - INFO - moving on ...
-2024-12-09 10:29:35,249 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:35,249 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:35,249 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:35,249 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,249 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:35,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,250 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,251 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,251 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:35,251 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:35,251 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:35,268 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,268 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,268 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:35,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:35,268 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,268 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:35,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,270 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,270 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,270 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,270 - INFO - moving on ...
-2024-12-09 10:29:35,270 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:35,271 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:35,271 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:35,271 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,271 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:35,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,272 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,272 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:35,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:35,272 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:35,289 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,289 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,289 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:35,289 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:35,290 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:35,290 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,290 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:35,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,291 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,291 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,291 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:35,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:35,291 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:35,309 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,309 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,309 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:35,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:35,309 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,309 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:35,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,311 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,311 - INFO - moving on ...
-2024-12-09 10:29:35,311 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:35,311 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:35,311 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:35,311 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,311 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:35,312 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,313 - INFO - number of orbitals:  76
-2024-12-09 10:29:35,313 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,313 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,313 - INFO - moving on ...
-2024-12-09 10:29:35,313 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:35,313 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:35,313 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:35,313 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,313 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:35,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,314 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,314 - INFO - moving on ...
-2024-12-09 10:29:35,315 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:35,315 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:35,315 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:35,315 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,315 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:35,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,316 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,316 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:35,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:35,316 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:35,336 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,337 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,337 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:35,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:35,337 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,337 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:35,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,339 - INFO - number of orbitals:  116
-2024-12-09 10:29:35,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,339 - INFO - moving on ...
-2024-12-09 10:29:35,339 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:35,339 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:35,339 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:35,339 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,339 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:35,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,340 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,340 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,340 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:35,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:35,340 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:35,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,357 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,357 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:35,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:35,357 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,357 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:35,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,359 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,359 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,359 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,359 - INFO - moving on ...
-2024-12-09 10:29:35,359 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:35,359 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:35,359 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:35,359 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,359 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:35,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,361 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,361 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,361 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:35,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:35,361 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:35,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,378 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,378 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:35,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:35,378 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,378 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:35,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,379 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,380 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,380 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,380 - INFO - moving on ...
-2024-12-09 10:29:35,380 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:35,380 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:35,380 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:35,380 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,380 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:35,381 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,381 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,381 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,381 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:35,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:35,381 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:35,398 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,398 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,398 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:35,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:35,398 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,398 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:35,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,400 - INFO - number of orbitals:  110
-2024-12-09 10:29:35,400 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,400 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,400 - INFO - moving on ...
-2024-12-09 10:29:35,400 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:35,401 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,401 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,401 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,401 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:35,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:35,401 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:35,417 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,418 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,418 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:35,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:35,418 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,418 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:35,418 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:35,418 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:35,418 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,418 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:35,420 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,420 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,420 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,420 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:35,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:35,420 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:35,436 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,437 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,437 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:35,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:35,437 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,437 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:35,439 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,439 - INFO - number of orbitals:  135
-2024-12-09 10:29:35,439 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,439 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,439 - INFO - moving on ...
-2024-12-09 10:29:35,439 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:35,440 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,441 - INFO - number of orbitals:  88
-2024-12-09 10:29:35,441 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,441 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,441 - INFO - moving on ...
-2024-12-09 10:29:35,441 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:35,441 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:35,441 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:35,441 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,441 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:35,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,442 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,443 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:35,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:35,443 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:35,459 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,460 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,460 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:35,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:35,460 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,460 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:35,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,461 - INFO - number of orbitals:  119
-2024-12-09 10:29:35,461 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,461 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,461 - INFO - moving on ...
-2024-12-09 10:29:35,461 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:35,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,463 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,463 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,463 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:35,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:35,463 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:35,479 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,479 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,479 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:35,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:35,480 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,480 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:35,480 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:35,480 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:35,480 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,480 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:35,481 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,481 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,481 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,481 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:35,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:35,482 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:35,498 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,498 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,498 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:35,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:35,499 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,499 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:35,500 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,500 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,500 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,500 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:35,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:35,500 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:35,517 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,517 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,517 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:35,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:35,518 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,518 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:35,518 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:35,518 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:35,518 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,518 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:35,519 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,519 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,519 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,520 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:35,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:35,520 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:35,536 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,536 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,536 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:35,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:35,536 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,536 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:35,536 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:35,536 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:35,536 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,537 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:35,538 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,538 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,538 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,538 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:35,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:35,538 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:35,554 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,554 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,554 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:35,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:35,554 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,554 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:35,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,556 - INFO - number of orbitals:  89
-2024-12-09 10:29:35,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,556 - INFO - moving on ...
-2024-12-09 10:29:35,556 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:35,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,557 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,557 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,557 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:35,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:35,557 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:35,573 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,574 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,574 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:35,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:35,574 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,574 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:35,574 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:35,574 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:35,574 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,574 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:35,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,576 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,576 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,576 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:35,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:35,576 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:35,592 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,592 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,592 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:35,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:35,593 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,593 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:35,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,594 - INFO - number of orbitals:  94
-2024-12-09 10:29:35,594 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,594 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,594 - INFO - moving on ...
-2024-12-09 10:29:35,594 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:35,595 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:35,595 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:35,595 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,595 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:35,596 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,596 - INFO - number of orbitals:  70
-2024-12-09 10:29:35,596 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,596 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,596 - INFO - moving on ...
-2024-12-09 10:29:35,596 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:35,596 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:35,596 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:35,596 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,596 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:35,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,598 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,598 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,598 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:35,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:35,598 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:35,614 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,614 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,614 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:35,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:35,615 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,615 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:35,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,616 - INFO - number of orbitals:  79
-2024-12-09 10:29:35,616 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,616 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,616 - INFO - moving on ...
-2024-12-09 10:29:35,616 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:35,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,618 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,618 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,618 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:35,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:35,618 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:35,635 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,635 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,635 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:35,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:35,636 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,636 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:35,636 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:35,636 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:35,636 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,636 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:35,636 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,636 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,636 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,638 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,638 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,638 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:35,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:35,638 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:35,656 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,656 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,656 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:35,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,657 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,657 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,659 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,659 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,659 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:35,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:35,659 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:35,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,676 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,676 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:35,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,678 - INFO - number of orbitals:  90
-2024-12-09 10:29:35,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,678 - INFO - moving on ...
-2024-12-09 10:29:35,678 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:35,678 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,680 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,681 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,681 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:35,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:35,681 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:35,698 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,698 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,698 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:35,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,699 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,699 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,700 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,701 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,701 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,701 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:35,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:35,701 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:35,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,723 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,723 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:35,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,725 - INFO - number of orbitals:  90
-2024-12-09 10:29:35,725 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,725 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,725 - INFO - moving on ...
-2024-12-09 10:29:35,725 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:35,725 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:35,725 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:35,726 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,726 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:35,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,727 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,727 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,727 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:35,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:35,727 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:35,743 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,744 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,744 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:35,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:35,744 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,744 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:35,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,745 - INFO - number of orbitals:  115
-2024-12-09 10:29:35,745 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,745 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,745 - INFO - moving on ...
-2024-12-09 10:29:35,745 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:35,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,747 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,747 - INFO - number of supporting files: 2
-2024-12-09 10:29:35,747 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:35,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:35,747 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:35,763 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,763 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,763 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:35,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:35,763 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:35,763 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:35,763 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:35,763 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:35,764 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,764 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:35,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,765 - INFO - number of orbitals:  76
-2024-12-09 10:29:35,765 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,765 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,765 - INFO - moving on ...
-2024-12-09 10:29:35,765 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:35,765 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:35,765 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:35,765 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,765 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:35,767 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,767 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,767 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,767 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:35,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:35,767 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:35,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,783 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,783 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:35,784 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:35,784 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:35,784 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,784 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:35,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,786 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,786 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,786 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:35,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:35,786 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:35,803 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,803 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,803 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:35,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,805 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,805 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,805 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,805 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:35,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:35,805 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:35,821 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,822 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,822 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:35,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,824 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,824 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,824 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:35,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:35,824 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:35,840 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,841 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,841 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:35,841 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,841 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,841 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,842 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,843 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,843 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,843 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:35,843 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:35,843 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:35,859 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,860 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,860 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:35,860 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,860 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,860 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,862 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,862 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,862 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:35,862 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:35,862 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:35,878 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,878 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,878 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:35,878 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,879 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,879 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,881 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,881 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,881 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:35,881 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:35,881 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:35,898 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,898 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,898 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:35,898 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:35,898 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:35,898 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,898 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:35,898 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,899 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,899 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,901 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,901 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,901 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,901 - INFO - moving on ...
-2024-12-09 10:29:35,901 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:35,901 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,901 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,901 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,902 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,903 - INFO - number of orbitals:  70
-2024-12-09 10:29:35,903 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,903 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,903 - INFO - moving on ...
-2024-12-09 10:29:35,903 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:35,903 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,903 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,903 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,905 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,905 - INFO - moving on ...
-2024-12-09 10:29:35,905 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:35,905 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:35,905 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:35,905 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,905 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:35,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,907 - INFO - number of orbitals:  76
-2024-12-09 10:29:35,907 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,907 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,907 - INFO - moving on ...
-2024-12-09 10:29:35,907 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:35,907 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:35,907 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:35,907 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:35,907 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:35,907 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,908 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,908 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,909 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,909 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,909 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:35,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:35,909 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:35,926 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,926 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,926 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:35,926 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,926 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,926 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,928 - INFO - number of orbitals:  70
-2024-12-09 10:29:35,928 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,928 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,929 - INFO - moving on ...
-2024-12-09 10:29:35,929 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:35,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,929 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,931 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,931 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:35,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:35,931 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:35,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,947 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,947 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:35,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,948 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,949 - INFO - number of orbitals:  69
-2024-12-09 10:29:35,950 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:35,950 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:35,950 - INFO - moving on ...
-2024-12-09 10:29:35,950 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:35,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,950 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,950 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,951 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,952 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,952 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:35,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:35,952 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:35,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,968 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,968 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:35,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,969 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,969 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,970 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,971 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,971 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:35,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:35,971 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:35,987 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:35,988 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:35,988 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:35,988 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:35,988 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:35,988 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:35,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:35,990 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:35,990 - INFO - number of supporting files: 1
-2024-12-09 10:29:35,990 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:35,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:35,990 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:36,006 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,006 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,006 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:36,007 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,007 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,007 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,009 - INFO - number of orbitals:  69
-2024-12-09 10:29:36,009 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:36,009 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,009 - INFO - moving on ...
-2024-12-09 10:29:36,009 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:36,009 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,009 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,009 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,011 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,011 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,011 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:36,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:36,011 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:36,027 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,027 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,027 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:36,028 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,028 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,028 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,030 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,030 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,030 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:36,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:36,030 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:36,045 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,046 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,046 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:36,046 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,046 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,046 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,048 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,048 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,048 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:36,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:36,048 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:36,064 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,064 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,064 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:36,064 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,066 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,066 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,066 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:36,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:36,066 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:36,082 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,083 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,083 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:36,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,085 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,085 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:36,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:36,085 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:36,101 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,101 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,101 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:36,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,103 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,103 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:36,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:36,104 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:36,119 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,119 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,120 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:36,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,122 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,122 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,122 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:36,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:36,122 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:36,138 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,138 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,139 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:36,139 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,139 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,139 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,141 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,141 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:36,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:36,141 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:36,157 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,157 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,157 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:36,158 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:36,158 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:36,158 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,158 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:36,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,159 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,159 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:36,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:36,159 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:36,175 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,175 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,176 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:36,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:36,176 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,176 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:36,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,177 - INFO - number of orbitals:  90
-2024-12-09 10:29:36,177 - INFO - too many orbitals!  we are only considering max_num_orbitals 65.
-2024-12-09 10:29:36,177 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,177 - INFO - moving on ...
-2024-12-09 10:29:36,177 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:36,178 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:36,178 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:36,178 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,178 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:36,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,179 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,179 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,179 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:36,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:36,179 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:36,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,195 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,195 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:36,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:36,195 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,195 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:36,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,196 - INFO - number of orbitals:  118
-2024-12-09 10:29:36,196 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,196 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,196 - INFO - moving on ...
-2024-12-09 10:29:36,196 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:36,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,198 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,198 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,198 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:36,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:36,198 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:36,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,214 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,215 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:36,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:36,215 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,215 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:36,215 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:36,215 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:36,215 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,215 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:36,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,217 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,217 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,217 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:36,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:36,217 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:36,233 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,233 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,233 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:36,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:36,234 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,234 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:36,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,235 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,235 - INFO - moving on ...
-2024-12-09 10:29:36,235 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:36,236 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:36,236 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:36,236 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,236 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:36,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,237 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,237 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:36,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:36,237 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,254 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,254 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,254 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:36,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:36,254 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,254 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:36,255 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:36,255 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:36,255 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,255 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:36,255 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,255 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,255 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,257 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,257 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,258 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:36,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:36,258 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:36,275 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,275 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,276 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:36,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,276 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,276 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,278 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,278 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:36,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:36,278 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:36,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,295 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,296 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:36,296 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,296 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,296 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,298 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,298 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:36,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:36,298 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,315 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,315 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,315 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:36,315 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,315 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,315 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,317 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,317 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,317 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:36,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:36,317 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,334 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,334 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:36,334 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,334 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,334 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,336 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,336 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:36,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:36,336 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:36,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,353 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,353 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:36,353 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,355 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,355 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,355 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:36,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:36,355 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:36,371 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,372 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,372 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:36,372 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,372 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,372 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,374 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,374 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:36,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:36,374 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:36,391 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,392 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,392 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:36,392 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,392 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,392 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,394 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,394 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:36,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:36,394 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:36,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,410 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,410 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:36,411 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,413 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,413 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:36,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:36,413 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:36,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,431 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,431 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:36,431 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,431 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,431 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,433 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,433 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:36,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:36,434 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:36,450 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,451 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,451 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:36,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,453 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,453 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:36,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:36,453 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,471 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,471 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,471 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:36,471 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,471 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,471 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,473 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,473 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,473 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:36,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:36,473 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:36,490 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,490 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,490 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:36,490 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:36,490 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:36,490 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,491 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:36,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,492 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,493 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,493 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:36,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:36,493 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:36,508 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,509 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,509 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:36,509 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,509 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,509 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,510 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,511 - INFO - number of orbitals:  108
-2024-12-09 10:29:36,511 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,511 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,511 - INFO - moving on ...
-2024-12-09 10:29:36,511 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:36,511 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:36,511 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:36,511 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,511 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:36,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,512 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,512 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,513 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:36,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:36,513 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:36,529 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,529 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,530 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:36,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:36,530 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,530 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:36,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,531 - INFO - number of orbitals:  135
-2024-12-09 10:29:36,531 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,531 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,531 - INFO - moving on ...
-2024-12-09 10:29:36,532 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:36,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,533 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,533 - INFO - moving on ...
-2024-12-09 10:29:36,533 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:36,533 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:36,533 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:36,533 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,533 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:36,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,535 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:36,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:36,535 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:36,552 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,552 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,552 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:36,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:36,553 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,553 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:36,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,554 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,555 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,555 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,555 - INFO - moving on ...
-2024-12-09 10:29:36,555 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:36,555 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:36,555 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:36,555 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,555 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:36,557 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,557 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,557 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,557 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:36,557 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:36,557 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:36,575 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,575 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,575 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:36,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:36,575 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,575 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:36,577 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,577 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,577 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,577 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,577 - INFO - moving on ...
-2024-12-09 10:29:36,577 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:36,577 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:36,577 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:36,577 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,577 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:36,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,579 - INFO - number of orbitals:  76
-2024-12-09 10:29:36,579 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,579 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,579 - INFO - moving on ...
-2024-12-09 10:29:36,579 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:36,579 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:36,579 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:36,579 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,579 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:36,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,580 - INFO - number of orbitals:  76
-2024-12-09 10:29:36,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,581 - INFO - moving on ...
-2024-12-09 10:29:36,581 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:36,581 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:36,581 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:36,581 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,581 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:36,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,582 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,582 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:36,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:36,582 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:36,599 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,599 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,599 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:36,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:36,599 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,599 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:36,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,601 - INFO - number of orbitals:  118
-2024-12-09 10:29:36,601 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,601 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,601 - INFO - moving on ...
-2024-12-09 10:29:36,601 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:36,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,602 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,602 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,602 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:36,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:36,602 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:36,618 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,618 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,619 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:36,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:36,619 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,619 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:36,619 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:36,619 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:36,619 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,619 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:36,619 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,619 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,619 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,621 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,621 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,621 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:36,621 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:36,621 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,637 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,637 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,637 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:36,637 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,637 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,637 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,638 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,639 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,639 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,639 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:36,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:36,639 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:36,655 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,655 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,655 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:36,655 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,657 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,657 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,657 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:36,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:36,658 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:36,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,675 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,675 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:36,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,678 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,678 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,678 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:36,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:36,678 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:36,694 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,695 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,695 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:36,695 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,695 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,695 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,697 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,697 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,697 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:36,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:36,697 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:36,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,713 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,713 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:36,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,713 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,713 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,715 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,715 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:36,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:36,716 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:36,731 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,731 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,732 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:36,732 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,732 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,732 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,734 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,734 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,734 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:36,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:36,734 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:36,751 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,751 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,751 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:36,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:36,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:36,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:36,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,754 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,754 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:36,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:36,754 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:36,771 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,771 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,771 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:36,772 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:36,772 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:36,772 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,772 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:36,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,773 - INFO - number of orbitals:  76
-2024-12-09 10:29:36,773 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,773 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,773 - INFO - moving on ...
-2024-12-09 10:29:36,773 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:36,773 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:36,773 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:36,773 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,774 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:36,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,775 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,775 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,775 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:36,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:36,775 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:36,791 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,791 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,791 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:36,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:36,791 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,792 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:36,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,793 - INFO - number of orbitals:  76
-2024-12-09 10:29:36,793 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,793 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,793 - INFO - moving on ...
-2024-12-09 10:29:36,793 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:36,793 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:36,793 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:36,794 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,794 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:36,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,795 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,795 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,795 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:36,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:36,795 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:36,811 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,811 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,812 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:36,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:36,812 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,812 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:36,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,813 - INFO - number of orbitals:  119
-2024-12-09 10:29:36,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,813 - INFO - moving on ...
-2024-12-09 10:29:36,813 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:36,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,815 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,815 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,815 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:36,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:36,815 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:36,831 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,831 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,831 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:36,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:36,831 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,831 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:36,831 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:36,832 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:36,832 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,832 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:36,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,833 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,833 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,833 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:36,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:36,833 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:36,849 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,850 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,850 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:36,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:36,850 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,850 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:36,851 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,852 - INFO - number of orbitals:  135
-2024-12-09 10:29:36,852 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,852 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,852 - INFO - moving on ...
-2024-12-09 10:29:36,852 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:36,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,853 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,853 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,853 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,853 - INFO - moving on ...
-2024-12-09 10:29:36,853 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:36,853 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:36,853 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:36,853 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,853 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:36,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,854 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,855 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,855 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:36,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:36,855 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:36,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,871 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,871 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:36,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:36,871 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,871 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:36,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,873 - INFO - number of orbitals:  118
-2024-12-09 10:29:36,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,873 - INFO - moving on ...
-2024-12-09 10:29:36,873 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:36,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,874 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,874 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:36,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:36,874 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:36,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,891 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,891 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:36,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:36,891 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,891 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:36,891 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:36,891 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:36,891 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,891 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:36,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,893 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,893 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:36,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:36,893 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:36,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,909 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,909 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:36,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:36,909 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,909 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:36,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,911 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,911 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,911 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,911 - INFO - moving on ...
-2024-12-09 10:29:36,911 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:36,911 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:36,911 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:36,911 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,911 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:36,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,912 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,912 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,912 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:36,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:36,912 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:36,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,929 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,929 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:36,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:36,929 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,929 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:36,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,931 - INFO - number of orbitals:  110
-2024-12-09 10:29:36,931 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,931 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,931 - INFO - moving on ...
-2024-12-09 10:29:36,931 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:36,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,932 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,932 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:36,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:36,933 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:36,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,949 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,949 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:36,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:36,949 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,949 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:36,950 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:36,950 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:36,950 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,950 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:36,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,951 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,951 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,951 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:36,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:36,951 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:36,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,968 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,968 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:36,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:36,968 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:36,968 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:36,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,970 - INFO - number of orbitals:  88
-2024-12-09 10:29:36,970 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:36,970 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:36,970 - INFO - moving on ...
-2024-12-09 10:29:36,970 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:36,970 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:36,970 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:36,970 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,971 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:36,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,972 - INFO - number of supporting files: 1
-2024-12-09 10:29:36,972 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:36,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:36,972 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:36,989 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:36,989 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:36,989 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:36,990 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:36,990 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:36,990 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:36,990 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:36,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:36,991 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:36,991 - INFO - number of supporting files: 2
-2024-12-09 10:29:36,991 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:36,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:36,991 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:37,008 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,009 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,009 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:37,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:37,009 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,009 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:37,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,010 - INFO - number of orbitals:  88
-2024-12-09 10:29:37,010 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,010 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,010 - INFO - moving on ...
-2024-12-09 10:29:37,011 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:37,011 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:37,011 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:37,011 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,011 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:37,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,012 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,012 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,012 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:37,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:37,012 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:37,028 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,029 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,029 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:37,029 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:37,029 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:37,029 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,029 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:37,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,032 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,032 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:37,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:37,032 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,049 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,049 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:37,049 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,049 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,051 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,051 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,051 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:37,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:37,051 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:37,068 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,068 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,068 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:37,068 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,068 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,069 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,071 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,071 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,071 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:37,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:37,071 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,087 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,088 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,088 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:37,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,090 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,090 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:37,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:37,090 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:37,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,106 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,106 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:37,107 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:37,107 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:37,107 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,107 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:37,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,108 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,108 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,108 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:37,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:37,108 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,123 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,123 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,123 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:37,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:37,123 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,123 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:37,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,125 - INFO - number of orbitals:  85
-2024-12-09 10:29:37,125 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,125 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,125 - INFO - moving on ...
-2024-12-09 10:29:37,125 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:37,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,126 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,126 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,126 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:37,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:37,126 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:37,142 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,142 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,142 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:37,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:37,142 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,142 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:37,143 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:37,143 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:37,143 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,143 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:37,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,144 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,144 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,144 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:37,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:37,144 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:37,160 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,160 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,161 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:37,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:37,161 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,161 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:37,162 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,162 - INFO - number of orbitals:  110
-2024-12-09 10:29:37,162 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,162 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,162 - INFO - moving on ...
-2024-12-09 10:29:37,162 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:37,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,163 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,163 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,163 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:37,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:37,164 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:37,178 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,179 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,179 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:37,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:37,179 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,179 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:37,179 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:37,179 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:37,179 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,179 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:37,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,181 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,181 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:37,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:37,181 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:37,196 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,196 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,196 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:37,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:37,196 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,196 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:37,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,198 - INFO - number of orbitals:  85
-2024-12-09 10:29:37,198 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,198 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,198 - INFO - moving on ...
-2024-12-09 10:29:37,198 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:37,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,199 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,199 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,199 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:37,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:37,199 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:37,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,215 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,215 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:37,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:37,215 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,215 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:37,215 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:37,215 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:37,215 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,215 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:37,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,217 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,217 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:37,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:37,217 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:37,232 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,232 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,232 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:37,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:37,232 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,232 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:37,234 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,234 - INFO - number of orbitals:  88
-2024-12-09 10:29:37,234 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,234 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,234 - INFO - moving on ...
-2024-12-09 10:29:37,234 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:37,234 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:37,234 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:37,235 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,235 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:37,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,236 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,236 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,236 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:37,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:37,236 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:37,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,253 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,254 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:37,254 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:37,254 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:37,254 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,254 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:37,254 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,254 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,254 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,256 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,257 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,257 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:37,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:37,257 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:37,277 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,277 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,277 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:37,277 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,278 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,278 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,280 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,280 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,280 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:37,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:37,280 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:37,297 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,297 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,297 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:37,297 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,297 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,297 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,299 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,299 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,299 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:37,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:37,300 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:37,316 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,316 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,316 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:37,316 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,317 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,317 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,318 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,318 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,319 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:37,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:37,319 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:37,335 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,335 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,335 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:37,335 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,335 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,335 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,337 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,337 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,337 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:37,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:37,337 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:37,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,353 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,354 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:37,354 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,354 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,354 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,356 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,356 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:37,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:37,356 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:37,373 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,373 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,373 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:37,373 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,373 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,373 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,375 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,375 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,375 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,375 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:37,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:37,375 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:37,392 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,392 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,392 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:37,392 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,393 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,393 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,395 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,395 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:37,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:37,395 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:37,411 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,412 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,412 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:37,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,414 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,414 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,414 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:37,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:37,414 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:37,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,431 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,431 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:37,431 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:37,431 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:37,431 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,431 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:37,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,433 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,433 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:37,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:37,433 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:37,449 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,450 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,450 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:37,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:37,450 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,450 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:37,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,452 - INFO - number of orbitals:  88
-2024-12-09 10:29:37,452 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,452 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,452 - INFO - moving on ...
-2024-12-09 10:29:37,452 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:37,452 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:37,452 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:37,452 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,452 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:37,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,454 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,454 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,454 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:37,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:37,454 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:37,471 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,472 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,472 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:37,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:37,472 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,472 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:37,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,474 - INFO - number of orbitals:  72
-2024-12-09 10:29:37,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,474 - INFO - moving on ...
-2024-12-09 10:29:37,474 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:37,474 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:37,474 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:37,475 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,475 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:37,476 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,476 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,476 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,476 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:37,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:37,476 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:37,492 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,493 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,493 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:37,493 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:37,493 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:37,493 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,493 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:37,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,495 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,495 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,495 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:37,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:37,495 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:37,511 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,512 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,512 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:37,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:37,512 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,512 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:37,512 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:37,512 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:37,512 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,512 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:37,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,514 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,514 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,514 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:37,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:37,514 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:37,531 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,531 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,531 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:37,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:37,531 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,531 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:37,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,533 - INFO - number of orbitals:  116
-2024-12-09 10:29:37,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,533 - INFO - moving on ...
-2024-12-09 10:29:37,533 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:37,533 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:37,533 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:37,533 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,533 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:37,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,535 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,535 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:37,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:37,535 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,551 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,551 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:37,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:37,551 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,551 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:37,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,552 - INFO - number of orbitals:  79
-2024-12-09 10:29:37,552 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,553 - INFO - moving on ...
-2024-12-09 10:29:37,553 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:37,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,554 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,554 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,554 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:37,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:37,554 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:37,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,570 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,570 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:37,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:37,570 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,570 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:37,570 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:37,570 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:37,570 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,570 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:37,570 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,570 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,570 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,572 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,572 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:37,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:37,572 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:37,588 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,588 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,588 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:37,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,589 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,589 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,590 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,591 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:37,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:37,591 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:37,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,607 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,607 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:37,607 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,607 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,607 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,609 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,609 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:37,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:37,610 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:37,625 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,626 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,626 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:37,626 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,626 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,626 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,628 - INFO - number of orbitals:  76
-2024-12-09 10:29:37,628 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,628 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,628 - INFO - moving on ...
-2024-12-09 10:29:37,628 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:37,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,629 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,630 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,630 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,630 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:37,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:37,630 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:37,645 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,646 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,646 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:37,646 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,646 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,646 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,648 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,648 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,648 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:37,648 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:37,648 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:37,663 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,664 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,664 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:37,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,665 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,666 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,666 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:37,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:37,666 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:37,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,683 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,683 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:37,683 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,683 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,685 - INFO - number of orbitals:  76
-2024-12-09 10:29:37,685 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,685 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,685 - INFO - moving on ...
-2024-12-09 10:29:37,685 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:37,685 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,685 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,685 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,686 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,687 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,687 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,687 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:37,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:37,687 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:37,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,703 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,703 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:37,703 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,703 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,703 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,705 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,705 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:37,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:37,705 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:37,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,721 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,721 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:37,722 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,722 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,722 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,723 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,724 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,724 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:37,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:37,724 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:37,739 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,740 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,740 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:37,740 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,740 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,740 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,742 - INFO - number of orbitals:  76
-2024-12-09 10:29:37,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,742 - INFO - moving on ...
-2024-12-09 10:29:37,742 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:37,742 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:37,742 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:37,742 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,742 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:37,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,743 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,743 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,743 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:37,744 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:37,744 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:37,759 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,759 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,759 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:37,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:37,759 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,759 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:37,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,761 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,761 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,761 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:37,761 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:37,761 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:37,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,777 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,777 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:37,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:37,777 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,777 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:37,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,778 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,778 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,778 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:37,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:37,778 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:37,795 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,795 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,795 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:37,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:37,795 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,795 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:37,796 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:37,796 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:37,796 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,796 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:37,797 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,797 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,797 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:37,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:37,797 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:37,814 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,814 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,815 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:37,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:37,815 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,815 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:37,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,816 - INFO - number of orbitals:  110
-2024-12-09 10:29:37,816 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,816 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,816 - INFO - moving on ...
-2024-12-09 10:29:37,816 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:37,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,818 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,818 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,818 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:37,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:37,818 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:37,834 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,834 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,834 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:37,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:37,834 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,834 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:37,835 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:37,835 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:37,835 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,835 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:37,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,836 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,836 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:37,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:37,836 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:37,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,853 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,853 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:37,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:37,853 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,853 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:37,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,855 - INFO - number of orbitals:  110
-2024-12-09 10:29:37,855 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:37,855 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:37,855 - INFO - moving on ...
-2024-12-09 10:29:37,855 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:37,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,856 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,856 - INFO - number of supporting files: 2
-2024-12-09 10:29:37,856 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:37,856 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:37,856 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:37,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,872 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,872 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:37,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:37,873 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:37,873 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:37,873 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:37,873 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:37,873 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:37,873 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:37,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,875 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,875 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:37,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:37,875 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:37,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,891 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,891 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:37,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,893 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,893 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:37,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:37,893 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:37,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,909 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,909 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:37,909 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,909 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,909 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,911 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,911 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:37,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:37,911 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:37,927 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,928 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,928 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:37,928 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,928 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,928 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,930 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,930 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:37,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:37,930 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:37,946 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,946 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,947 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:37,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,947 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,949 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,949 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:37,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:37,949 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:37,965 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,966 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,966 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:37,966 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,966 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,966 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,968 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,969 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,969 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:37,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:37,969 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:37,985 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:37,985 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:37,985 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:37,986 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:37,986 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:37,986 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:37,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:37,988 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:37,988 - INFO - number of supporting files: 1
-2024-12-09 10:29:37,988 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:37,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:37,988 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,004 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,004 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,005 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:38,005 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,005 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,005 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,007 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,007 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,007 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:38,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:38,007 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:38,024 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,024 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,024 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:38,024 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,026 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,026 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,027 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:38,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:38,027 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:38,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,043 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,044 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:38,044 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:38,044 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:38,044 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,044 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:38,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,045 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,045 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:38,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:38,046 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:38,062 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,062 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,062 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:38,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:38,062 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,062 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:38,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,064 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,064 - INFO - moving on ...
-2024-12-09 10:29:38,064 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:38,064 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:38,064 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:38,064 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,064 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:38,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,066 - INFO - number of orbitals:  76
-2024-12-09 10:29:38,066 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,066 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,066 - INFO - moving on ...
-2024-12-09 10:29:38,066 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:38,066 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:38,066 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:38,066 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,066 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:38,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,067 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,067 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,067 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:38,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:38,067 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:38,085 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,086 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,086 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:38,086 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:38,086 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:38,086 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,086 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:38,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,088 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,088 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,088 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:38,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:38,088 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:38,108 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,109 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,109 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:38,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:38,109 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,109 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:38,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,111 - INFO - number of orbitals:  74
-2024-12-09 10:29:38,112 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,112 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,112 - INFO - moving on ...
-2024-12-09 10:29:38,112 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:38,112 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:38,112 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:38,112 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,112 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:38,114 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,114 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,114 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,114 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:38,114 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:38,115 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,137 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,138 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,138 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:38,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:38,139 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,139 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:38,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,141 - INFO - number of orbitals:  90
-2024-12-09 10:29:38,141 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,141 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,141 - INFO - moving on ...
-2024-12-09 10:29:38,141 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:38,142 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:38,142 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:38,142 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,142 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:38,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,144 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,144 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,144 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:38,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:38,145 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:38,166 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,166 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,166 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:38,167 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:38,167 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:38,167 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,167 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:38,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,169 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,169 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,169 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:38,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:38,169 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:38,191 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,191 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,191 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:38,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:38,191 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,191 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:38,193 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,193 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,193 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,193 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,193 - INFO - moving on ...
-2024-12-09 10:29:38,193 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:38,194 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:38,194 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:38,194 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,194 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:38,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,195 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,195 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,195 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:38,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:38,195 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:38,212 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,213 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,213 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:38,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:38,213 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,213 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:38,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,214 - INFO - number of orbitals:  106
-2024-12-09 10:29:38,215 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,215 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,215 - INFO - moving on ...
-2024-12-09 10:29:38,215 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:38,215 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:38,215 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:38,215 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,215 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:38,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,216 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,216 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:38,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:38,216 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:38,233 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,234 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,234 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:38,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:38,234 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,234 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:38,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,236 - INFO - number of orbitals:  118
-2024-12-09 10:29:38,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,236 - INFO - moving on ...
-2024-12-09 10:29:38,236 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:38,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,237 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,237 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:38,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:38,237 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:38,254 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,254 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,255 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:38,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:38,255 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,255 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:38,255 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:38,255 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:38,255 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,255 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:38,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,257 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,257 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,257 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:38,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:38,257 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:38,275 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,275 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,275 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:38,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:38,275 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,275 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:38,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,277 - INFO - number of orbitals:  114
-2024-12-09 10:29:38,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,277 - INFO - moving on ...
-2024-12-09 10:29:38,277 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:38,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,279 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,279 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,279 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:38,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:38,279 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:38,296 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,296 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,296 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:38,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:38,296 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,296 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:38,297 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:38,297 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:38,297 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,297 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:38,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,298 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,298 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:38,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:38,298 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:38,315 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,316 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,316 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:38,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:38,316 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,316 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:38,317 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,317 - INFO - number of orbitals:  115
-2024-12-09 10:29:38,318 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,318 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,318 - INFO - moving on ...
-2024-12-09 10:29:38,318 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:38,319 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,319 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,319 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,319 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:38,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:38,319 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:38,336 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,336 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,336 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:38,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:38,337 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,337 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:38,337 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:38,337 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:38,337 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,337 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:38,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,338 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,338 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,338 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:38,339 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:38,339 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:38,355 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,356 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,356 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:38,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:38,356 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,356 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:38,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,358 - INFO - number of orbitals:  78
-2024-12-09 10:29:38,358 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,358 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,358 - INFO - moving on ...
-2024-12-09 10:29:38,358 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:38,358 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:38,358 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:38,358 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,358 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:38,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,359 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,359 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,359 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:38,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:38,360 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:38,376 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,377 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,377 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:38,377 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:38,377 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,377 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:38,377 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:38,377 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:38,377 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,377 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:38,378 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,379 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,379 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,379 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:38,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:38,379 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:38,395 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,396 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,396 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:38,396 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:38,396 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:38,396 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,396 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:38,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,397 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,398 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,398 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:38,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:38,398 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:38,414 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,414 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,414 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:38,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:38,414 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,414 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:38,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,416 - INFO - number of orbitals:  86
-2024-12-09 10:29:38,416 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,416 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,416 - INFO - moving on ...
-2024-12-09 10:29:38,416 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:38,416 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:38,416 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:38,416 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,416 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:38,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,418 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,418 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,418 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:38,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:38,418 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:38,433 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,434 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,434 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:38,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:38,434 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,434 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:38,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,436 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,436 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,436 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,436 - INFO - moving on ...
-2024-12-09 10:29:38,436 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:38,436 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:38,436 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:38,436 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,436 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:38,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,437 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,437 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,437 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:38,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:38,438 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:38,454 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,454 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,454 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:38,454 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:38,454 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:38,454 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,454 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:38,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,456 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,456 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,456 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:38,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:38,456 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:38,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,472 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,472 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:38,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:38,472 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,472 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:38,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,474 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,474 - INFO - moving on ...
-2024-12-09 10:29:38,474 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:38,474 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:38,474 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:38,474 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,474 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:38,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,476 - INFO - number of orbitals:  76
-2024-12-09 10:29:38,476 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,476 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,476 - INFO - moving on ...
-2024-12-09 10:29:38,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:38,476 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:38,476 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:38,476 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,476 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:38,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,477 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,477 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,477 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:38,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:38,477 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:38,494 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,494 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,494 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:38,495 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:38,495 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:38,495 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,495 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:38,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,496 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,496 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,496 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:38,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:38,496 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,512 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,513 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,513 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:38,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:38,513 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,513 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:38,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,514 - INFO - number of orbitals:  116
-2024-12-09 10:29:38,515 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,515 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,515 - INFO - moving on ...
-2024-12-09 10:29:38,515 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:38,515 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:38,515 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:38,515 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,515 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:38,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,516 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,516 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,516 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:38,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:38,516 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:38,532 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,533 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,533 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:38,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:38,533 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,533 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:38,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,534 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,534 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,535 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,535 - INFO - moving on ...
-2024-12-09 10:29:38,535 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:38,535 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:38,535 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:38,535 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,535 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:38,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,536 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,536 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,536 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:38,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:38,536 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:38,552 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,552 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,552 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:38,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:38,553 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,553 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:38,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,554 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,554 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,554 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,554 - INFO - moving on ...
-2024-12-09 10:29:38,554 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:38,554 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:38,554 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:38,554 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,554 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:38,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,556 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,556 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,556 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:38,556 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:38,556 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:38,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,572 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,572 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:38,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:38,572 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,572 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:38,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,573 - INFO - number of orbitals:  110
-2024-12-09 10:29:38,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,574 - INFO - moving on ...
-2024-12-09 10:29:38,574 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:38,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,575 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,575 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,575 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:38,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:38,575 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:38,591 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,592 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,592 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:38,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:38,592 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,592 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:38,592 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:38,592 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:38,592 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,592 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:38,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,594 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,594 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,594 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:38,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:38,594 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:38,610 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,611 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,611 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:38,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:38,611 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,611 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:38,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,612 - INFO - number of orbitals:  135
-2024-12-09 10:29:38,612 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,612 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,613 - INFO - moving on ...
-2024-12-09 10:29:38,613 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:38,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,614 - INFO - number of orbitals:  88
-2024-12-09 10:29:38,614 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,614 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,614 - INFO - moving on ...
-2024-12-09 10:29:38,614 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:38,614 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:38,614 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:38,614 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,614 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:38,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,615 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,616 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,616 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:38,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:38,616 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:38,632 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,632 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,632 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:38,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:38,632 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,632 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:38,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,634 - INFO - number of orbitals:  119
-2024-12-09 10:29:38,634 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,634 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,634 - INFO - moving on ...
-2024-12-09 10:29:38,634 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:38,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,635 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:38,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:38,636 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:38,652 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,652 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,652 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:38,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:38,652 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,652 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:38,652 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:38,653 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:38,653 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,653 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:38,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,654 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,654 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,654 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:38,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:38,655 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:38,672 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,672 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,672 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:38,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:38,672 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,672 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:38,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,674 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,674 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,674 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:38,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:38,674 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,690 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,691 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,691 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:38,691 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:38,691 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,691 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:38,691 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:38,691 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:38,691 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,691 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:38,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,693 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,693 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,693 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:38,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:38,693 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:38,709 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,710 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,710 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:38,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:38,710 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,710 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:38,710 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:38,710 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:38,710 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,710 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:38,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,712 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,712 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,712 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:38,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:38,712 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:38,728 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,729 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,729 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:38,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:38,729 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,729 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:38,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,731 - INFO - number of orbitals:  89
-2024-12-09 10:29:38,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,731 - INFO - moving on ...
-2024-12-09 10:29:38,731 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:38,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,733 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,733 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,733 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:38,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:38,733 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:38,750 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,751 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,751 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:38,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:38,751 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,751 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:38,751 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:38,751 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:38,751 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,751 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:38,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,753 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,753 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:38,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:38,753 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:38,769 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,770 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,770 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:38,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:38,770 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,770 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:38,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,772 - INFO - number of orbitals:  94
-2024-12-09 10:29:38,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,772 - INFO - moving on ...
-2024-12-09 10:29:38,772 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:38,772 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:38,772 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:38,772 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,772 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:38,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,774 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,774 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,774 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:38,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:38,774 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:38,792 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,792 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,792 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:38,792 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:38,792 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:38,792 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,792 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:38,794 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,794 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,794 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,794 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:38,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:38,794 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:38,811 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,811 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,811 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:38,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:38,811 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,811 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:38,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,813 - INFO - number of orbitals:  79
-2024-12-09 10:29:38,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,813 - INFO - moving on ...
-2024-12-09 10:29:38,813 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:38,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,814 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,814 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,814 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:38,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:38,814 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:38,831 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,831 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,831 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:38,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:38,831 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,831 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:38,832 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:38,832 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:38,832 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,832 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:38,832 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,832 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,832 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,834 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,834 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,834 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:38,834 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:38,834 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:38,850 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,851 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,851 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:38,851 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,851 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,851 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,853 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,854 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,854 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:38,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:38,854 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:38,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,872 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,872 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:38,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,875 - INFO - number of orbitals:  90
-2024-12-09 10:29:38,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,875 - INFO - moving on ...
-2024-12-09 10:29:38,875 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:38,875 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,875 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,875 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,877 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,877 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,877 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:38,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:38,877 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:38,894 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,894 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,894 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:38,894 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,894 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,894 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,896 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,896 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,896 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:38,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:38,896 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:38,913 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,914 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,914 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:38,914 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,914 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,914 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,916 - INFO - number of orbitals:  90
-2024-12-09 10:29:38,916 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,916 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,916 - INFO - moving on ...
-2024-12-09 10:29:38,916 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:38,916 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:38,916 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:38,916 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,916 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:38,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,917 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,918 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,918 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:38,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:38,918 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:38,934 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,934 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,934 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:38,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:38,934 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,934 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:38,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,936 - INFO - number of orbitals:  115
-2024-12-09 10:29:38,936 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,936 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,936 - INFO - moving on ...
-2024-12-09 10:29:38,936 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:38,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,937 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,938 - INFO - number of supporting files: 2
-2024-12-09 10:29:38,938 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:38,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:38,938 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:38,954 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,954 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,954 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:38,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:38,954 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:38,954 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:38,955 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:38,955 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:38,955 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,955 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:38,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,956 - INFO - number of orbitals:  76
-2024-12-09 10:29:38,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:38,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:38,956 - INFO - moving on ...
-2024-12-09 10:29:38,956 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:38,956 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:38,956 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:38,956 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,956 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:38,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,958 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,958 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:38,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:38,958 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:38,974 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,975 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,975 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:38,975 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:38,975 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:38,975 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:38,975 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:38,975 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,975 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,975 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,977 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,977 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,977 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:38,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:38,978 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:38,994 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:38,995 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:38,995 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:38,995 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:38,995 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:38,995 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:38,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:38,997 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:38,997 - INFO - number of supporting files: 1
-2024-12-09 10:29:38,997 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:38,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:38,997 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:39,014 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,015 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,015 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:39,015 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,015 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,015 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,017 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,017 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,017 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:39,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:39,017 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,034 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,035 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,035 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:39,035 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,035 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,035 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,036 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,037 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,037 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,037 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:39,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:39,037 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:39,054 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,054 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,055 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:39,055 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,055 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,055 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,056 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,057 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,057 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,057 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:39,057 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:39,057 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:39,075 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,075 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,076 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:39,076 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,076 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,076 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,078 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,078 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,078 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:39,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:39,078 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,095 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,095 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:39,095 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:39,096 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:39,096 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,096 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:39,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,098 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:39,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:39,098 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,114 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,115 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,115 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:39,115 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,115 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,115 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,117 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,117 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,117 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:39,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:39,117 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:39,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,136 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,136 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:39,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,138 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,138 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,138 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:39,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:39,138 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:39,156 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,156 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,156 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:39,157 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:39,157 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:39,157 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,157 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:39,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,158 - INFO - number of orbitals:  76
-2024-12-09 10:29:39,158 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:39,158 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,158 - INFO - moving on ...
-2024-12-09 10:29:39,158 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:39,159 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:39,159 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:39,159 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,159 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:39,159 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,159 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,159 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,161 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,161 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:39,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:39,161 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:39,178 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,179 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,179 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:39,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,181 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,181 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:39,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:39,181 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:39,206 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,207 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,207 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:39,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,207 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,207 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,209 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,209 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,209 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:39,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:39,209 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:39,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,226 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,226 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:39,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,228 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,228 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,228 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:39,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:39,228 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,245 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,245 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,245 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:39,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,245 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,245 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,247 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,247 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,247 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:39,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:39,247 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:39,263 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,264 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,264 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:39,264 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,264 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,264 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,266 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,266 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:39,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:39,266 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:39,283 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,283 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,283 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:39,283 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,283 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,283 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,285 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,285 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,285 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:39,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:39,285 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:39,302 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,302 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,302 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:39,302 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,302 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,302 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,304 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,304 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,304 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:39,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:39,304 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:39,321 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,321 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,321 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:39,321 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,322 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,322 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,323 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,323 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,323 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,323 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:39,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:39,324 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:39,339 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,340 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,340 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:39,340 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,340 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,340 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,341 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,342 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,342 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,342 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:39,342 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:39,342 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:39,358 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,359 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,359 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:39,359 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,359 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,359 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,361 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,361 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,361 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:39,361 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:39,361 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:39,378 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,378 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,378 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:39,378 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,378 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,380 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,380 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,380 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,380 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:39,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:39,381 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,397 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,397 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,397 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:39,397 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,397 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,397 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,399 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,399 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,400 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,400 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:39,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:39,400 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:39,416 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,417 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,417 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:39,417 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,417 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,417 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,418 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,419 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,419 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,419 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:39,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:39,419 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:39,435 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,436 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,436 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:39,436 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,436 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,436 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,437 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,438 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,438 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,438 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:39,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:39,438 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:39,454 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,454 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,454 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:39,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,455 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,455 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,457 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,457 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,457 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:39,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:39,457 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:39,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,473 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,473 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:39,473 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:39,473 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:39,473 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,473 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:39,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,475 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,475 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,475 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:39,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:39,475 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:39,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,491 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,492 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:39,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:39,492 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,492 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:39,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,493 - INFO - number of orbitals:  90
-2024-12-09 10:29:39,493 - INFO - too many orbitals!  we are only considering max_num_orbitals 70.
-2024-12-09 10:29:39,493 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,493 - INFO - moving on ...
-2024-12-09 10:29:39,493 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:39,494 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:39,494 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:39,494 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,494 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:39,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,495 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,495 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,495 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:39,495 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:39,495 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:39,512 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,512 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,512 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:39,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:39,512 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,512 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:39,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,514 - INFO - number of orbitals:  118
-2024-12-09 10:29:39,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,514 - INFO - moving on ...
-2024-12-09 10:29:39,514 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:39,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,516 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,516 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,516 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:39,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:39,516 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,532 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,533 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,533 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:39,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:39,533 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,533 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:39,533 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:39,533 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:39,533 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,533 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:39,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,535 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:39,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:39,535 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:39,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,551 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,551 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:39,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:39,551 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,551 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:39,552 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,553 - INFO - number of orbitals:  88
-2024-12-09 10:29:39,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,553 - INFO - moving on ...
-2024-12-09 10:29:39,553 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:39,553 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:39,553 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:39,553 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,553 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:39,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,554 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,554 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,554 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:39,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:39,554 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,571 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,572 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:39,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:39,572 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,572 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:39,572 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:39,572 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:39,572 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,572 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:39,572 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,572 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,572 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,575 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,575 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,575 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:39,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:39,575 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:39,591 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,592 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,592 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:39,592 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,592 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,592 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,593 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,594 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,594 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,594 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:39,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:39,594 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:39,611 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,612 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,612 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:39,612 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,612 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,612 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,614 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,614 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,614 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:39,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:39,614 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,631 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,632 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,632 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:39,632 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,633 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,634 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,634 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,634 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:39,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:39,634 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,652 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,652 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,652 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:39,652 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,652 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,653 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,655 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,655 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,655 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:39,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:39,655 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:39,678 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,679 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,679 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:39,679 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,682 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,682 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,682 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:39,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:39,682 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:39,703 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,703 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,703 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:39,703 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,703 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,703 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,706 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,706 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:39,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:39,706 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:39,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,726 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,726 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:39,726 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,726 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,728 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,729 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,729 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:39,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:39,729 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:39,750 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,751 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,751 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:39,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,754 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,754 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,754 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:39,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:39,755 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:39,778 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,779 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,779 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:39,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,782 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,783 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,783 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:39,783 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:39,783 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:39,807 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,807 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,807 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:39,808 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,808 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,808 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,811 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,811 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,811 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:39,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:39,811 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:39,835 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,836 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,836 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:39,836 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,836 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,836 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,839 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,839 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,840 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:39,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:39,840 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:39,863 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,863 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,863 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:39,864 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:39,864 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:39,864 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,864 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:39,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,867 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,867 - INFO - number of supporting files: 1
-2024-12-09 10:29:39,867 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:39,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:39,867 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:39,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,891 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,891 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:39,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:39,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:39,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:39,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,894 - INFO - number of orbitals:  108
-2024-12-09 10:29:39,894 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,894 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,894 - INFO - moving on ...
-2024-12-09 10:29:39,894 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:39,894 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:39,894 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:39,894 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,894 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:39,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,896 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,896 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,896 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:39,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:39,896 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:39,921 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,921 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,921 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:39,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:39,922 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,922 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:39,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,924 - INFO - number of orbitals:  135
-2024-12-09 10:29:39,924 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,924 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,924 - INFO - moving on ...
-2024-12-09 10:29:39,924 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:39,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,926 - INFO - number of orbitals:  88
-2024-12-09 10:29:39,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,926 - INFO - moving on ...
-2024-12-09 10:29:39,926 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:39,926 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:39,926 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:39,926 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,926 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:39,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,928 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,928 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,928 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:39,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:39,928 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:39,953 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,953 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,953 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:39,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:39,954 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,954 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:39,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,956 - INFO - number of orbitals:  88
-2024-12-09 10:29:39,956 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,956 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,956 - INFO - moving on ...
-2024-12-09 10:29:39,956 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:39,956 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:39,956 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:39,956 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,956 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:39,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,958 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,958 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:39,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:39,959 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:39,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:39,982 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:39,982 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:39,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:39,983 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:39,983 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:39,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,985 - INFO - number of orbitals:  88
-2024-12-09 10:29:39,985 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,985 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,985 - INFO - moving on ...
-2024-12-09 10:29:39,985 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:39,985 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:39,985 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:39,986 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,986 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:39,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,988 - INFO - number of orbitals:  76
-2024-12-09 10:29:39,988 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,988 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,988 - INFO - moving on ...
-2024-12-09 10:29:39,988 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:39,988 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:39,988 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:39,988 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,988 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:39,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,990 - INFO - number of orbitals:  76
-2024-12-09 10:29:39,990 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:39,990 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:39,990 - INFO - moving on ...
-2024-12-09 10:29:39,990 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:39,991 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:39,991 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:39,991 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:39,991 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:39,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:39,992 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:39,992 - INFO - number of supporting files: 2
-2024-12-09 10:29:39,992 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:39,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:39,993 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:40,011 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,011 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,011 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:40,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:40,011 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,011 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:40,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,013 - INFO - number of orbitals:  118
-2024-12-09 10:29:40,013 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,013 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,013 - INFO - moving on ...
-2024-12-09 10:29:40,013 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:40,014 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,015 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,015 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,015 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:40,015 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:40,015 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:40,035 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,036 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,036 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:40,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:40,036 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,036 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:40,036 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:40,036 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:40,036 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,036 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:40,036 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,037 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,037 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,038 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,039 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,039 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,039 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:40,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:40,039 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:40,057 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,057 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,057 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:40,057 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,057 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,057 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,059 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,060 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,060 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,060 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:40,060 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:40,060 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:40,077 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,078 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,078 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:40,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,078 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,080 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,080 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,080 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:40,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:40,081 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:40,098 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,099 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,099 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:40,099 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,101 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,101 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:40,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:40,101 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:40,118 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,119 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,119 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:40,119 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,119 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,119 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,121 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,121 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,121 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:40,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:40,121 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:40,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,139 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,139 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:40,140 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,140 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,140 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,142 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,142 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,142 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:40,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:40,142 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:40,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,159 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,159 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:40,159 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,162 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,162 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:40,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:40,162 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:40,178 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,179 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,179 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:40,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,181 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,181 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:40,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:40,181 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:40,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,199 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,199 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:40,199 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:40,199 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:40,199 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,199 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:40,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,201 - INFO - number of orbitals:  76
-2024-12-09 10:29:40,201 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,201 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,201 - INFO - moving on ...
-2024-12-09 10:29:40,201 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:40,201 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:40,201 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:40,201 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,201 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:40,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,202 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,203 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,203 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:40,203 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:40,203 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:40,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,220 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,220 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:40,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:40,220 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,220 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:40,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,222 - INFO - number of orbitals:  76
-2024-12-09 10:29:40,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,222 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,222 - INFO - moving on ...
-2024-12-09 10:29:40,222 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:40,222 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:40,222 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:40,222 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,222 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:40,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,224 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,224 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,224 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:40,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:40,224 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:40,241 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,241 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,241 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:40,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:40,241 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,241 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:40,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,243 - INFO - number of orbitals:  119
-2024-12-09 10:29:40,243 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,243 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,243 - INFO - moving on ...
-2024-12-09 10:29:40,243 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:40,244 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,245 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,245 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,245 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:40,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:40,245 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:40,262 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,263 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,263 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:40,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:40,263 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,263 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:40,263 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:40,263 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:40,263 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,263 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:40,264 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,265 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,265 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,265 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:40,265 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:40,265 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:40,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,282 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,283 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:40,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:40,283 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,283 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:40,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,284 - INFO - number of orbitals:  135
-2024-12-09 10:29:40,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,284 - INFO - moving on ...
-2024-12-09 10:29:40,284 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:40,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,286 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,286 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,286 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,286 - INFO - moving on ...
-2024-12-09 10:29:40,286 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:40,286 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:40,286 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:40,286 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,286 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:40,287 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,288 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,288 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,288 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:40,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:40,288 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:40,306 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,307 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,307 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:40,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:40,307 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,307 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:40,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,309 - INFO - number of orbitals:  118
-2024-12-09 10:29:40,309 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,309 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,309 - INFO - moving on ...
-2024-12-09 10:29:40,309 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:40,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,311 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,311 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:40,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:40,311 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:40,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,334 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,334 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:40,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:40,334 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,334 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:40,334 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:40,334 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:40,335 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,335 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:40,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,336 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,337 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:40,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:40,337 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:40,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,354 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,354 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:40,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:40,354 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,354 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:40,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,355 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,356 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,356 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,356 - INFO - moving on ...
-2024-12-09 10:29:40,356 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:40,356 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:40,356 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:40,356 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,356 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:40,357 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,357 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,357 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,357 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:40,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:40,357 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:40,374 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,374 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,375 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:40,375 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:40,375 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,375 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:40,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,377 - INFO - number of orbitals:  110
-2024-12-09 10:29:40,377 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,377 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,377 - INFO - moving on ...
-2024-12-09 10:29:40,377 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:40,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,379 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,379 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,379 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:40,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:40,379 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:40,399 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,400 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,400 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:40,400 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:40,400 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,400 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:40,400 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:40,400 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:40,400 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,400 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:40,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,402 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,402 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,402 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:40,402 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:40,402 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:40,419 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,419 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,419 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:40,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:40,419 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,419 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:40,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,421 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,421 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,421 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,421 - INFO - moving on ...
-2024-12-09 10:29:40,421 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:40,422 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:40,422 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:40,422 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,422 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:40,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,423 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,423 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,423 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:40,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:40,423 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:40,441 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,442 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,442 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:40,442 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:40,442 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:40,442 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,442 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:40,443 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,444 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,444 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,444 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:40,444 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:40,444 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:40,461 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,461 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,461 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:40,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:40,461 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,461 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:40,463 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,463 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,463 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,463 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,463 - INFO - moving on ...
-2024-12-09 10:29:40,463 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:40,463 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:40,463 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:40,463 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,463 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:40,464 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,465 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,465 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,465 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:40,465 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:40,465 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:40,481 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,482 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,482 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:40,482 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:40,482 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:40,482 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,482 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:40,482 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,482 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,482 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,484 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,485 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,485 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:40,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:40,485 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:40,502 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,502 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,502 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:40,502 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,502 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,502 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,504 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,504 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,505 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:40,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:40,505 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:40,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,522 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,522 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:40,522 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,522 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,522 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,524 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,524 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,524 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:40,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:40,524 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:40,541 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,541 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,541 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:40,541 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,542 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,542 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,543 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,544 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,544 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:40,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:40,544 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:40,560 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,560 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,560 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:40,561 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:40,561 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:40,561 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,561 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:40,562 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,562 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,562 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:40,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:40,562 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:40,579 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,579 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,579 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:40,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:40,579 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,579 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:40,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,581 - INFO - number of orbitals:  85
-2024-12-09 10:29:40,581 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,581 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,581 - INFO - moving on ...
-2024-12-09 10:29:40,581 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:40,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,582 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,582 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:40,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:40,582 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:40,601 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,601 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,602 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:40,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:40,602 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,602 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:40,602 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:40,602 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:40,602 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,602 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:40,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,604 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,604 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:40,604 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:40,604 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:40,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,627 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,627 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:40,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:40,627 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,627 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:40,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,629 - INFO - number of orbitals:  110
-2024-12-09 10:29:40,629 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,629 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,629 - INFO - moving on ...
-2024-12-09 10:29:40,629 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:40,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,631 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,631 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,631 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:40,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:40,631 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:40,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,650 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,650 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:40,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:40,650 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,650 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:40,650 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:40,650 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:40,650 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,650 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:40,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,652 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,652 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,652 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:40,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:40,652 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:40,671 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,671 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,671 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:40,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:40,671 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,672 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:40,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,673 - INFO - number of orbitals:  85
-2024-12-09 10:29:40,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,674 - INFO - moving on ...
-2024-12-09 10:29:40,674 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:40,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,675 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,675 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,676 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:40,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:40,676 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:40,693 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,693 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,693 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:40,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:40,694 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,694 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:40,694 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:40,694 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:40,694 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,694 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:40,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,696 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,696 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,696 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:40,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:40,696 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:40,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,713 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,713 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:40,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:40,713 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,713 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:40,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,715 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,715 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,715 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,715 - INFO - moving on ...
-2024-12-09 10:29:40,715 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:40,715 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:40,715 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:40,715 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,715 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:40,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,717 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,717 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,717 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:40,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:40,717 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:40,733 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,734 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,734 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:40,734 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:40,734 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:40,734 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,734 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:40,734 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,734 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,736 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,736 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,737 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:40,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:40,737 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:40,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,754 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,754 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:40,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,756 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,756 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:40,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:40,757 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:40,774 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,775 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,775 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:40,775 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,777 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,777 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:40,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:40,777 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:40,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,795 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,795 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:40,795 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,795 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,797 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,797 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:40,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:40,797 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:40,814 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,814 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,814 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:40,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,816 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,816 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:40,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:40,816 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:40,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,833 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,834 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:40,834 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,834 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,834 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,836 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,836 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:40,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:40,836 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:40,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,853 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,853 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:40,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,855 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,855 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:40,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:40,855 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:40,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,872 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,872 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:40,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,874 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:40,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:40,875 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:40,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,892 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,892 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:40,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:40,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:40,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:40,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,894 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,894 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:40,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:40,894 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:40,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,911 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,911 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:40,911 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:40,911 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:40,911 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,911 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:40,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,913 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,913 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:40,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:40,913 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:40,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,930 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,930 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:40,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:40,930 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,930 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:40,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,932 - INFO - number of orbitals:  88
-2024-12-09 10:29:40,932 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:40,932 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:40,932 - INFO - moving on ...
-2024-12-09 10:29:40,932 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:40,932 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:40,932 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:40,932 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,932 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:40,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,933 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,933 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,933 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:40,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:40,934 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:40,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,950 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,950 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:40,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:40,951 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,951 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:40,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,952 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,952 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:40,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:40,952 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:40,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,969 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,969 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:40,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:40,969 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:40,969 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:40,969 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:40,969 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:40,969 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,969 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:40,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,971 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,971 - INFO - number of supporting files: 1
-2024-12-09 10:29:40,971 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:40,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:40,971 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:40,987 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:40,987 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:40,988 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:40,988 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:40,988 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:40,988 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:40,988 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:40,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:40,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:40,989 - INFO - number of supporting files: 2
-2024-12-09 10:29:40,990 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:40,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:40,990 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:41,007 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,008 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,008 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:41,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:41,008 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,008 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:41,008 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:41,008 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:41,009 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,009 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:41,010 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,010 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,010 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,010 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:41,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:41,010 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:41,027 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,027 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,027 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:41,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:41,028 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,028 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:41,029 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,029 - INFO - number of orbitals:  116
-2024-12-09 10:29:41,029 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,029 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,029 - INFO - moving on ...
-2024-12-09 10:29:41,029 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:41,029 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:41,029 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:41,029 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,029 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:41,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,031 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,031 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:41,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:41,031 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:41,047 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,048 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,048 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:41,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:41,048 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,048 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:41,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,050 - INFO - number of orbitals:  79
-2024-12-09 10:29:41,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,050 - INFO - moving on ...
-2024-12-09 10:29:41,050 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:41,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,051 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,051 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,051 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:41,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:41,051 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:41,067 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,068 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,068 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:41,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:41,068 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,068 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:41,068 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:41,068 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:41,068 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,068 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:41,068 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,068 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,069 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,070 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,071 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,071 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:41,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:41,071 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:41,087 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,088 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,088 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:41,088 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,088 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,088 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,089 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,090 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,090 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:41,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:41,090 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:41,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,107 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,107 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:41,107 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,107 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,107 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,109 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,109 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,109 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:41,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:41,109 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:41,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,126 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,126 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:41,126 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,127 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,129 - INFO - number of orbitals:  76
-2024-12-09 10:29:41,129 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,129 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,129 - INFO - moving on ...
-2024-12-09 10:29:41,129 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:41,129 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,129 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,129 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,131 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,131 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,131 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:41,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:41,131 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:41,147 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,148 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,148 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:41,148 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,148 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,148 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,150 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,150 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,150 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:41,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:41,150 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:41,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,168 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,168 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:41,168 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,168 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,168 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,171 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,171 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:41,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:41,171 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:41,188 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,188 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,188 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:41,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,190 - INFO - number of orbitals:  76
-2024-12-09 10:29:41,190 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,190 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,191 - INFO - moving on ...
-2024-12-09 10:29:41,191 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:41,191 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,191 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,191 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,192 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,193 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,193 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,193 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:41,193 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:41,193 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:41,209 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,209 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,210 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:41,210 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,210 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,210 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,211 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,212 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,212 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,212 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:41,212 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:41,212 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:41,229 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,229 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,229 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:41,229 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,229 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,229 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,231 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,231 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,232 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:41,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:41,232 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:41,248 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,248 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,248 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:41,249 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,249 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,249 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,251 - INFO - number of orbitals:  76
-2024-12-09 10:29:41,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,251 - INFO - moving on ...
-2024-12-09 10:29:41,251 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:41,251 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:41,251 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:41,251 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,251 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:41,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,252 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,252 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,252 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:41,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:41,253 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:41,269 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,270 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,270 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:41,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:41,270 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,270 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:41,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,271 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,271 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,272 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:41,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:41,272 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:41,288 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,289 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,289 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:41,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:41,289 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,289 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:41,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,291 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,291 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,291 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:41,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:41,291 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:41,307 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,308 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,308 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:41,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:41,308 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,308 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:41,308 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:41,308 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:41,308 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,308 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:41,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,310 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,310 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,310 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:41,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:41,310 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:41,326 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,327 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,327 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:41,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:41,327 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,327 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:41,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,329 - INFO - number of orbitals:  110
-2024-12-09 10:29:41,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,329 - INFO - moving on ...
-2024-12-09 10:29:41,329 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:41,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,330 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,330 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,330 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:41,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:41,330 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:41,346 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,347 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,347 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:41,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:41,347 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,347 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:41,347 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:41,347 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:41,347 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,347 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:41,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,349 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,349 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,349 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:41,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:41,349 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:41,365 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,366 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,366 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:41,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:41,366 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,366 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:41,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,368 - INFO - number of orbitals:  110
-2024-12-09 10:29:41,368 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,368 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,368 - INFO - moving on ...
-2024-12-09 10:29:41,368 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:41,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,369 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,369 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:41,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:41,369 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:41,386 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,386 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,386 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:41,387 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:41,387 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,387 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:41,387 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:41,387 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:41,387 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,387 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:41,387 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,387 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,387 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,389 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,389 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,389 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:41,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:41,390 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:41,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,407 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,407 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:41,407 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,407 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,407 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,409 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,409 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:41,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:41,409 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:41,426 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,427 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,427 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:41,427 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,427 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,427 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,429 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,429 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,429 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:41,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:41,429 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:41,446 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,446 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,446 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:41,446 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,446 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,448 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,448 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,449 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:41,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:41,449 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:41,465 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,466 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,466 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:41,466 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,466 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,466 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,467 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,468 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,468 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,468 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:41,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:41,468 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:41,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,485 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,485 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:41,485 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,485 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,485 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,487 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,487 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,487 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:41,487 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:41,487 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:41,504 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,504 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,504 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:41,504 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,504 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,505 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,507 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,507 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:41,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:41,507 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:41,524 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,524 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,525 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:41,525 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,525 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,525 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,527 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,527 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,527 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:41,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:41,527 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:41,544 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,544 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,544 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:41,544 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:41,545 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:41,545 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:41,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,547 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,547 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:41,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:41,547 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:41,563 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,563 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,563 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:41,564 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:41,564 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:41,564 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,564 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:41,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,565 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,565 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:41,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:41,565 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:41,582 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,582 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,582 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:41,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:41,582 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,582 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:41,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,584 - INFO - number of orbitals:  88
-2024-12-09 10:29:41,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,584 - INFO - moving on ...
-2024-12-09 10:29:41,584 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:41,584 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:41,584 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:41,584 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,584 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:41,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,585 - INFO - number of orbitals:  76
-2024-12-09 10:29:41,585 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,586 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,586 - INFO - moving on ...
-2024-12-09 10:29:41,586 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:41,586 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:41,586 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:41,586 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,586 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:41,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,587 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,587 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,587 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:41,587 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:41,587 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:41,603 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,604 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,604 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:41,604 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:41,604 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:41,604 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,604 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:41,605 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,606 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,606 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,606 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:41,606 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:41,606 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:41,622 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,623 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,623 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:41,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:41,623 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,623 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:41,624 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,624 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,624 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,624 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:41,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:41,625 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:41,643 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,644 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,644 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:41,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:41,644 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,644 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:41,644 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:41,644 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:41,644 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,644 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:41,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,647 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,647 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,647 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:41,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:41,647 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:41,669 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,670 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,670 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:41,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:41,670 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,670 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:41,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,672 - INFO - number of orbitals:  90
-2024-12-09 10:29:41,672 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,672 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,672 - INFO - moving on ...
-2024-12-09 10:29:41,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:41,673 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:41,673 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:41,673 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,673 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:41,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,675 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,675 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,675 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:41,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:41,675 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:41,699 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,699 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,700 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:41,700 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:41,700 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:41,700 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,700 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:41,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,702 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,702 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,702 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:41,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:41,702 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:41,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,726 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,727 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:41,727 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:41,727 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,727 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:41,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,729 - INFO - number of orbitals:  88
-2024-12-09 10:29:41,729 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,729 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,729 - INFO - moving on ...
-2024-12-09 10:29:41,729 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:41,730 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:41,730 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:41,730 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,730 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:41,731 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,731 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,731 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,731 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:41,731 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:41,731 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:41,747 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,748 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,748 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:41,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:41,748 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,748 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:41,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,750 - INFO - number of orbitals:  106
-2024-12-09 10:29:41,750 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,750 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,750 - INFO - moving on ...
-2024-12-09 10:29:41,750 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:41,750 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:41,750 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:41,750 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,750 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:41,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,751 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,751 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,751 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:41,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:41,751 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:41,768 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,769 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,769 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:41,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:41,769 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,769 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:41,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,770 - INFO - number of orbitals:  118
-2024-12-09 10:29:41,770 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,770 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,770 - INFO - moving on ...
-2024-12-09 10:29:41,770 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:41,771 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,772 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,772 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,772 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:41,772 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:41,772 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:41,788 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,789 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,789 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:41,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:41,789 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,789 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:41,789 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:41,789 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:41,789 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,789 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:41,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,791 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,791 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,791 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:41,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:41,791 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:41,807 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,808 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,808 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:41,808 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:41,808 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,808 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:41,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,810 - INFO - number of orbitals:  114
-2024-12-09 10:29:41,810 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,810 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,810 - INFO - moving on ...
-2024-12-09 10:29:41,810 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:41,811 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,811 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,811 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,811 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:41,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:41,811 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:41,827 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,827 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,827 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:41,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:41,827 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,827 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:41,828 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:41,828 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:41,828 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,828 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:41,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,829 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,829 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,829 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:41,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:41,829 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:41,845 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,846 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,846 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:41,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:41,846 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,846 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:41,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,847 - INFO - number of orbitals:  115
-2024-12-09 10:29:41,847 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,847 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,847 - INFO - moving on ...
-2024-12-09 10:29:41,847 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:41,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,849 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,849 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,849 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:41,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:41,849 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:41,865 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,866 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,866 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:41,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:41,866 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,866 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:41,866 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:41,866 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:41,866 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,866 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:41,867 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,868 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,868 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:41,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:41,868 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:41,884 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,884 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,884 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:41,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:41,884 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,884 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:41,886 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,886 - INFO - number of orbitals:  78
-2024-12-09 10:29:41,886 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,886 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,886 - INFO - moving on ...
-2024-12-09 10:29:41,886 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:41,886 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:41,886 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:41,886 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,886 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:41,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,888 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,888 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,888 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:41,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:41,888 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:41,904 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,905 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,905 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:41,905 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:41,905 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,905 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:41,905 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:41,905 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:41,905 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,905 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:41,907 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,907 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,907 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,907 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:41,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:41,907 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:41,923 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,923 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,923 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:41,923 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:41,923 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:41,923 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,923 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:41,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,925 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,925 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,925 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:41,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:41,925 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:41,942 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,942 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,942 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:41,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:41,942 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,942 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:41,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,944 - INFO - number of orbitals:  86
-2024-12-09 10:29:41,944 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,944 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,944 - INFO - moving on ...
-2024-12-09 10:29:41,944 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:41,944 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:41,944 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:41,944 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,944 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:41,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,946 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,946 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:41,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:41,946 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:41,962 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,962 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,962 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:41,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:41,963 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:41,963 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:41,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,964 - INFO - number of orbitals:  88
-2024-12-09 10:29:41,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:41,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:41,964 - INFO - moving on ...
-2024-12-09 10:29:41,964 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:41,965 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:41,965 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:41,965 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,965 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:41,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,966 - INFO - number of supporting files: 1
-2024-12-09 10:29:41,966 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:41,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:41,966 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:41,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:41,983 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:41,983 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:41,983 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:41,983 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:41,983 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:41,983 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:41,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:41,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:41,984 - INFO - number of supporting files: 2
-2024-12-09 10:29:41,984 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:41,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:41,985 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:42,000 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,001 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,001 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:42,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:42,001 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,001 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:42,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,002 - INFO - number of orbitals:  88
-2024-12-09 10:29:42,002 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,003 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,003 - INFO - moving on ...
-2024-12-09 10:29:42,003 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:42,003 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:42,003 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:42,003 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,003 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:42,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,004 - INFO - number of orbitals:  76
-2024-12-09 10:29:42,004 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,004 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,004 - INFO - moving on ...
-2024-12-09 10:29:42,005 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:42,005 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:42,005 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:42,005 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,005 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:42,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,006 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,006 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,006 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:42,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:42,006 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:42,022 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,022 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,022 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:42,022 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:42,022 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:42,022 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,022 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:42,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,024 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,024 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,024 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:42,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:42,024 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:42,039 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,040 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,040 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:42,040 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:42,040 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,040 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:42,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,041 - INFO - number of orbitals:  116
-2024-12-09 10:29:42,041 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,041 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,041 - INFO - moving on ...
-2024-12-09 10:29:42,041 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:42,041 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:42,042 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:42,042 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,042 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:42,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,043 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,043 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,043 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:42,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:42,043 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:42,059 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,059 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,059 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:42,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:42,059 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,059 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:42,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,060 - INFO - number of orbitals:  88
-2024-12-09 10:29:42,060 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,061 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,061 - INFO - moving on ...
-2024-12-09 10:29:42,061 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:42,061 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:42,061 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:42,061 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,061 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:42,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,062 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,062 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,062 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:42,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:42,062 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:42,078 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,078 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,079 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:42,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:42,079 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,079 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:42,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,080 - INFO - number of orbitals:  88
-2024-12-09 10:29:42,080 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,080 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,080 - INFO - moving on ...
-2024-12-09 10:29:42,080 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:42,080 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:42,080 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:42,080 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,080 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:42,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,082 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,082 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,082 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:42,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:42,082 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:42,098 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,098 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,098 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:42,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:42,098 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,098 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:42,099 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,099 - INFO - number of orbitals:  110
-2024-12-09 10:29:42,100 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,100 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,100 - INFO - moving on ...
-2024-12-09 10:29:42,100 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:42,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,101 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,101 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:42,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:42,101 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:42,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,117 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,117 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:42,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:42,117 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,117 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:42,117 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:42,117 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:42,118 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,118 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:42,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,119 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,119 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,119 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:42,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:42,119 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:42,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,136 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,136 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:42,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:42,136 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,136 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:42,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,137 - INFO - number of orbitals:  135
-2024-12-09 10:29:42,137 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,137 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,138 - INFO - moving on ...
-2024-12-09 10:29:42,138 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:42,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,139 - INFO - number of orbitals:  88
-2024-12-09 10:29:42,139 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,139 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,139 - INFO - moving on ...
-2024-12-09 10:29:42,139 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:42,140 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:42,140 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:42,140 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,140 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:42,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,141 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,142 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:42,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:42,142 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:42,157 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,157 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,157 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:42,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:42,158 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,158 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:42,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,159 - INFO - number of orbitals:  119
-2024-12-09 10:29:42,159 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,159 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,159 - INFO - moving on ...
-2024-12-09 10:29:42,159 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:42,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,160 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,160 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,160 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:42,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:42,160 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:42,176 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,176 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,176 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:42,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:42,176 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,176 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:42,176 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:42,176 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:42,177 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,177 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:42,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,178 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,178 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,178 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:42,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:42,178 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:42,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,194 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,194 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:42,194 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:42,194 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,194 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:42,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,195 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,195 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,195 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:42,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:42,195 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:42,210 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,211 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,211 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:42,211 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:42,211 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,211 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:42,211 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:42,211 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:42,211 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,211 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:42,212 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,212 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,212 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,213 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:42,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:42,213 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:42,229 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,230 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,230 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:42,230 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:42,230 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,230 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:42,230 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:42,230 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:42,230 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,230 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:42,231 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,232 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,232 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,232 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:42,232 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:42,232 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:42,248 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,248 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,249 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:42,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:42,249 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,249 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:42,250 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,250 - INFO - number of orbitals:  89
-2024-12-09 10:29:42,250 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,250 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,250 - INFO - moving on ...
-2024-12-09 10:29:42,250 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:42,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,251 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,252 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,252 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:42,252 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:42,252 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:42,268 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,268 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,268 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:42,268 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:42,268 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,268 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:42,269 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:42,269 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:42,269 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,269 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:42,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,270 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,270 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,270 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:42,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:42,271 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:42,288 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,288 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,288 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:42,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:42,288 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,289 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:42,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,290 - INFO - number of orbitals:  94
-2024-12-09 10:29:42,290 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,290 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,290 - INFO - moving on ...
-2024-12-09 10:29:42,290 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:42,291 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:42,291 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:42,291 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,291 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:42,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,292 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,292 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:42,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:42,292 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:42,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,309 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,309 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:42,309 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:42,309 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:42,309 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,309 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:42,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,311 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,311 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:42,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:42,311 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:42,327 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,327 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,328 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:42,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:42,328 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,328 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:42,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,329 - INFO - number of orbitals:  79
-2024-12-09 10:29:42,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,329 - INFO - moving on ...
-2024-12-09 10:29:42,329 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:42,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,331 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,331 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:42,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:42,331 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:42,347 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,347 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,347 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:42,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:42,347 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,348 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:42,348 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:42,348 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:42,348 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,348 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:42,348 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,348 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,348 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,350 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,350 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,350 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:42,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:42,350 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:42,366 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,367 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,367 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:42,367 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,367 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,367 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,369 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,369 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:42,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:42,369 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:42,385 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,385 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,385 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:42,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,385 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,385 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,387 - INFO - number of orbitals:  90
-2024-12-09 10:29:42,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,388 - INFO - moving on ...
-2024-12-09 10:29:42,388 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:42,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,390 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,390 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:42,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:42,390 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:42,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,407 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,407 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:42,407 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,407 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,407 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,409 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,409 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:42,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:42,409 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:42,424 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,424 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,424 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:42,424 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,426 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,426 - INFO - number of orbitals:  90
-2024-12-09 10:29:42,426 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,426 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,426 - INFO - moving on ...
-2024-12-09 10:29:42,426 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:42,427 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:42,427 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:42,427 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,427 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:42,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,428 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,428 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:42,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:42,428 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:42,446 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,447 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,447 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:42,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:42,447 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,447 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:42,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,449 - INFO - number of orbitals:  115
-2024-12-09 10:29:42,449 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,449 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,449 - INFO - moving on ...
-2024-12-09 10:29:42,449 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:42,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,451 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,451 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,451 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:42,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:42,451 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:42,468 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,468 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,469 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:42,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:42,469 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,469 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:42,469 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:42,469 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:42,469 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,469 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:42,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,470 - INFO - number of orbitals:  76
-2024-12-09 10:29:42,470 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,470 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,471 - INFO - moving on ...
-2024-12-09 10:29:42,471 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:42,471 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:42,471 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:42,471 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,471 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:42,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,472 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,472 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,472 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:42,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:42,472 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:42,489 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,490 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,490 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:42,490 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:42,490 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:42,490 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,490 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:42,490 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,490 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,490 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,492 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,492 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,493 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:42,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:42,493 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:42,511 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,511 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,511 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:42,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,513 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,513 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,513 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:42,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:42,513 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:42,530 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,530 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,530 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:42,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,530 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,532 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,532 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,532 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,532 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:42,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:42,533 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:42,549 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,549 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,550 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:42,550 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,552 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,552 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,552 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:42,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:42,552 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:42,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,569 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,569 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:42,569 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,569 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,569 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,570 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,571 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,571 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,571 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:42,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:42,571 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:42,587 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,587 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,587 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:42,588 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,588 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,588 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,590 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,590 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:42,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:42,590 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:42,606 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,606 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,606 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:42,607 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:42,607 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:42,607 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,607 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:42,607 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,607 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,607 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,608 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,609 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,609 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:42,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:42,609 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:42,624 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,625 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,625 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:42,625 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,625 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,625 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,626 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,627 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,627 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,627 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:42,627 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:42,627 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:42,643 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,644 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,644 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:42,644 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,644 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,644 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,646 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,646 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,646 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:42,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:42,646 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:42,661 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,662 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,662 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:42,662 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:42,662 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:42,662 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,662 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:42,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,663 - INFO - number of orbitals:  76
-2024-12-09 10:29:42,664 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,664 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,664 - INFO - moving on ...
-2024-12-09 10:29:42,664 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:42,664 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:42,664 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:42,664 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,664 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:42,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,664 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,664 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,666 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,666 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:42,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:42,666 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:42,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,682 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,682 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:42,682 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,682 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,684 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,684 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,685 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:42,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:42,685 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:42,700 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,701 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,701 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:42,701 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,701 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,701 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,703 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,703 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,703 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:42,703 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:42,703 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:42,719 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,719 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,719 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:42,719 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,719 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,719 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,721 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,721 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,721 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,721 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:42,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:42,721 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:42,738 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,738 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,738 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:42,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,739 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,739 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,740 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,740 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,741 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,741 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:42,741 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:42,741 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:42,757 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,757 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,758 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:42,758 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,758 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,758 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,760 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,760 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,760 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:42,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:42,760 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:42,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,777 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,777 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:42,777 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,777 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,777 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,779 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,779 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,779 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:42,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:42,779 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:42,798 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,799 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,799 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:42,799 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,799 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,799 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,801 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,801 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,801 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:42,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:42,802 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:42,825 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,825 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,825 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:42,826 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,828 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,828 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,828 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:42,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:42,829 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:42,845 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,845 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,845 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:42,846 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,846 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,846 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,847 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,848 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,848 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:42,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:42,848 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:42,864 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,864 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,864 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:42,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,866 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,866 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,866 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:42,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:42,866 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:42,882 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,883 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,883 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:42,883 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,883 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,883 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,885 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,885 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,885 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:42,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:42,885 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:42,901 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,902 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,902 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:42,902 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,904 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,904 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,904 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:42,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:42,904 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:42,920 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,920 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,920 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:42,920 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,921 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,921 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,922 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,923 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,923 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:42,923 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:42,923 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:42,938 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,939 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,939 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:42,939 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,939 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,939 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,940 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,941 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,941 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,941 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:42,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:42,941 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:42,956 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,956 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,956 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:42,956 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:42,956 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:42,956 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:42,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,958 - INFO - number of supporting files: 1
-2024-12-09 10:29:42,958 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:42,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:42,958 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:42,973 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,974 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,974 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:42,974 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:42,974 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:42,974 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,974 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:42,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,975 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,976 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,976 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:42,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:42,976 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:42,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:42,991 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:42,991 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:42,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:42,991 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:42,991 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:42,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,993 - INFO - number of orbitals:  90
-2024-12-09 10:29:42,993 - INFO - too many orbitals!  we are only considering max_num_orbitals 75.
-2024-12-09 10:29:42,993 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:42,993 - INFO - moving on ...
-2024-12-09 10:29:42,993 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:42,993 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:42,993 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:42,993 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:42,993 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:42,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:42,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:42,994 - INFO - number of supporting files: 2
-2024-12-09 10:29:42,994 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:42,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:42,995 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:43,010 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,010 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,010 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:43,010 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:43,010 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,010 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:43,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,012 - INFO - number of orbitals:  118
-2024-12-09 10:29:43,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,012 - INFO - moving on ...
-2024-12-09 10:29:43,012 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:43,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,013 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,013 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:43,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:43,013 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:43,028 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,028 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,028 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:43,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:43,029 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,029 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:43,029 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:43,029 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:43,029 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,029 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:43,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,030 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,030 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,030 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:43,030 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:43,030 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:43,045 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,045 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,045 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:43,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:43,046 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,046 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:43,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,047 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,047 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,047 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,047 - INFO - moving on ...
-2024-12-09 10:29:43,047 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:43,047 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:43,047 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:43,047 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,047 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:43,048 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,048 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,049 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,049 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:43,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:43,049 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,065 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,065 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,065 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:43,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:43,065 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,065 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:43,066 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:43,066 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:43,066 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,066 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:43,066 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,066 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,066 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,067 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,068 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,068 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:43,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:43,068 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:43,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,084 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,084 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:43,084 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,084 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,084 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,086 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,086 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:43,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:43,086 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:43,102 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,102 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,102 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:43,102 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,102 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,102 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,104 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,104 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:43,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:43,104 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,120 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,121 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,121 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:43,121 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,121 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,121 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,123 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,123 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:43,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:43,123 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,139 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,139 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:43,139 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,139 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,139 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,141 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,141 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:43,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:43,141 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:43,157 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,157 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,157 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:43,157 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,158 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,158 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,160 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,160 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:43,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:43,160 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:43,176 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,176 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,176 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:43,177 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,177 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,177 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,179 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,179 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,179 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:43,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:43,179 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:43,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,195 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,195 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:43,195 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,196 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,196 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,197 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,197 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,198 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:43,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:43,198 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:43,213 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,214 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,214 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:43,214 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,214 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,214 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,216 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,216 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:43,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:43,216 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:43,231 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,232 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,232 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:43,232 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,232 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,232 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,234 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,234 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,234 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:43,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:43,234 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:43,250 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,251 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,251 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:43,251 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,251 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,251 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,253 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,253 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,253 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:43,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:43,253 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,269 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,270 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,270 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:43,270 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,270 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,270 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,272 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,272 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:43,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:43,272 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:43,288 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,289 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,289 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:43,289 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:43,289 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:43,289 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,289 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:43,289 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,289 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,289 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,291 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,292 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,292 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:43,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:43,292 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:43,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,309 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,309 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:43,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,309 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,309 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,311 - INFO - number of orbitals:  108
-2024-12-09 10:29:43,311 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,311 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,311 - INFO - moving on ...
-2024-12-09 10:29:43,311 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:43,312 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:43,312 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:43,312 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,312 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:43,313 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,313 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,313 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,313 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:43,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:43,313 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:43,330 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,331 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,331 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:43,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:43,331 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,331 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:43,332 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,332 - INFO - number of orbitals:  135
-2024-12-09 10:29:43,332 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,332 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,332 - INFO - moving on ...
-2024-12-09 10:29:43,332 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:43,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,334 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,334 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,334 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,334 - INFO - moving on ...
-2024-12-09 10:29:43,334 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:43,334 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:43,334 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:43,334 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,334 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:43,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,335 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,335 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,335 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:43,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:43,335 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:43,351 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,352 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,352 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:43,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:43,352 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,352 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:43,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,353 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,353 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,353 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,353 - INFO - moving on ...
-2024-12-09 10:29:43,353 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:43,354 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:43,354 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:43,354 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,354 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:43,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,355 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,355 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,355 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:43,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:43,355 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:43,370 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,371 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,371 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:43,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:43,371 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,371 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:43,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,372 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,372 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,372 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,372 - INFO - moving on ...
-2024-12-09 10:29:43,372 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:43,373 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:43,373 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:43,373 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,373 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:43,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,374 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,374 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:43,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:43,374 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:43,389 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,389 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,389 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:43,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:43,389 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,389 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:43,390 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:43,390 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:43,390 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,390 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:43,391 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,391 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,391 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,391 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:43,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:43,391 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:43,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,407 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,407 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:43,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:43,407 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,407 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:43,407 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:43,407 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:43,407 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,407 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:43,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,409 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,409 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:43,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:43,409 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:43,425 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,425 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,425 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:43,425 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:43,425 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,426 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:43,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,427 - INFO - number of orbitals:  118
-2024-12-09 10:29:43,427 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,427 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,427 - INFO - moving on ...
-2024-12-09 10:29:43,427 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:43,428 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,428 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,429 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,429 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:43,429 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:43,429 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:43,445 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,446 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,446 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:43,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:43,446 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,446 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:43,446 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:43,446 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:43,446 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,446 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:43,446 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,447 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,448 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,449 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,449 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:43,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:43,449 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,465 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,465 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,465 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:43,465 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,465 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,465 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,467 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,467 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,467 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:43,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:43,467 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:43,483 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,483 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,483 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:43,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,484 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,484 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,486 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,486 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:43,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:43,486 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:43,501 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,501 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,501 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:43,501 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,501 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,502 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,503 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,503 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,503 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,503 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:43,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:43,504 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:43,520 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,520 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,520 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:43,520 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,520 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,520 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,522 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,522 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,522 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:43,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:43,522 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:43,540 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,540 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,541 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:43,541 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,544 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,544 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:43,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:43,544 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:43,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,561 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,562 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:43,562 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,562 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,562 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,564 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,564 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,564 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:43,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:43,564 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:43,580 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,580 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,580 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:43,580 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,580 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,580 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,581 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,582 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,582 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:43,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:43,582 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:43,598 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,598 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,598 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:43,598 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:43,598 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:43,599 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,599 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:43,600 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,600 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,600 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,600 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:43,600 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:43,600 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:43,615 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,616 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,616 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:43,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:43,616 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,616 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:43,616 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:43,616 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:43,616 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,616 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:43,618 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,618 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,618 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,618 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:43,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:43,618 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:43,634 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,634 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,634 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:43,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:43,634 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,634 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:43,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,636 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,636 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,636 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:43,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:43,636 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:43,652 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,652 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,653 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:43,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:43,653 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,653 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:43,653 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:43,653 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:43,653 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,653 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:43,654 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,654 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,655 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,655 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:43,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:43,655 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:43,671 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,671 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,671 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:43,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:43,671 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,671 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:43,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,673 - INFO - number of orbitals:  119
-2024-12-09 10:29:43,673 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,674 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,674 - INFO - moving on ...
-2024-12-09 10:29:43,674 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:43,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,675 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,675 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,675 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:43,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:43,675 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:43,693 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,693 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,693 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:43,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:43,693 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,693 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:43,693 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:43,694 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:43,694 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,694 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:43,695 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,695 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,695 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,695 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:43,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:43,695 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:43,712 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,713 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,713 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:43,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:43,713 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,713 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:43,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,714 - INFO - number of orbitals:  135
-2024-12-09 10:29:43,714 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,714 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,714 - INFO - moving on ...
-2024-12-09 10:29:43,714 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:43,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,716 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,716 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,716 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,716 - INFO - moving on ...
-2024-12-09 10:29:43,716 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:43,716 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:43,716 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:43,716 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,716 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:43,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,717 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,717 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,717 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:43,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:43,717 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:43,734 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,734 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,734 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:43,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:43,734 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,734 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:43,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,736 - INFO - number of orbitals:  118
-2024-12-09 10:29:43,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,736 - INFO - moving on ...
-2024-12-09 10:29:43,736 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:43,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,737 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,737 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,737 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:43,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:43,738 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:43,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,755 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,755 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:43,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:43,755 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,755 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:43,755 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:43,755 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:43,755 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,755 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:43,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,757 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,757 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,757 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:43,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:43,757 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:43,773 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,773 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,773 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:43,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:43,773 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,773 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:43,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,775 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,775 - INFO - moving on ...
-2024-12-09 10:29:43,775 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:43,775 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:43,775 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:43,775 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,775 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:43,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,776 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,776 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,776 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:43,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:43,777 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:43,793 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,793 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,793 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:43,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:43,793 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,794 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:43,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,795 - INFO - number of orbitals:  110
-2024-12-09 10:29:43,795 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,795 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,795 - INFO - moving on ...
-2024-12-09 10:29:43,795 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:43,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,796 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,797 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,797 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:43,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:43,797 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:43,812 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,813 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,813 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:43,813 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:43,813 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,813 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:43,813 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:43,813 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:43,813 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,813 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:43,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,815 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,815 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,815 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:43,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:43,815 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:43,831 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,832 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,832 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:43,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:43,832 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,832 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:43,833 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,834 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,834 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,834 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,834 - INFO - moving on ...
-2024-12-09 10:29:43,834 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:43,834 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:43,834 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:43,834 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,834 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:43,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,835 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,835 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:43,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:43,835 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:43,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,852 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,852 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:43,853 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:43,853 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:43,853 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,853 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:43,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,854 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,854 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,854 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:43,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:43,855 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:43,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,871 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,871 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:43,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:43,871 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,871 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:43,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,873 - INFO - number of orbitals:  88
-2024-12-09 10:29:43,873 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,873 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,873 - INFO - moving on ...
-2024-12-09 10:29:43,873 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:43,873 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:43,873 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:43,873 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,873 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:43,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,874 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,874 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:43,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:43,875 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:43,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,890 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,891 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:43,891 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:43,891 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:43,891 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,891 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:43,891 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,891 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,891 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,893 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,893 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:43,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:43,893 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:43,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,910 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,910 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:43,910 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,910 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,910 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,912 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,912 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,912 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:43,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:43,913 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:43,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,929 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,929 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:43,929 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,929 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,929 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,931 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,931 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,931 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:43,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:43,931 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:43,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,947 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,947 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:43,947 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:43,947 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:43,948 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:43,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,949 - INFO - number of supporting files: 1
-2024-12-09 10:29:43,949 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:43,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:43,950 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:43,966 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,966 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,966 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:43,966 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:43,966 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:43,966 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:43,966 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:43,968 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,968 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,968 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,968 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:43,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:43,969 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:43,985 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:43,985 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:43,985 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:43,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:43,986 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:43,986 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:43,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,987 - INFO - number of orbitals:  85
-2024-12-09 10:29:43,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:43,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:43,987 - INFO - moving on ...
-2024-12-09 10:29:43,987 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:43,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:43,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:43,989 - INFO - number of supporting files: 2
-2024-12-09 10:29:43,989 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:43,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:43,989 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:44,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,005 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,005 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:44,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:44,005 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,005 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:44,006 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:44,006 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:44,006 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,006 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:44,007 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,007 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,007 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,007 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:44,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:44,007 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:44,023 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,024 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,024 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:44,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:44,024 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,024 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:44,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,025 - INFO - number of orbitals:  110
-2024-12-09 10:29:44,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,026 - INFO - moving on ...
-2024-12-09 10:29:44,026 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:44,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,027 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,027 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:44,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:44,027 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:44,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,043 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,043 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:44,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:44,043 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,044 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:44,044 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:44,044 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:44,044 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,044 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:44,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,045 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,045 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:44,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:44,045 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:44,061 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,062 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,062 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:44,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:44,062 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,062 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:44,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,064 - INFO - number of orbitals:  85
-2024-12-09 10:29:44,064 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,064 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,064 - INFO - moving on ...
-2024-12-09 10:29:44,064 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:44,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,065 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,065 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,065 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:44,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:44,065 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:44,081 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,081 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,082 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:44,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:44,082 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,082 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:44,082 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:44,082 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:44,082 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,082 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:44,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,083 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,083 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,083 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:44,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:44,084 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:44,100 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,100 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,100 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:44,100 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:44,100 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,100 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:44,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,102 - INFO - number of orbitals:  88
-2024-12-09 10:29:44,102 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,102 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,102 - INFO - moving on ...
-2024-12-09 10:29:44,102 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:44,102 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:44,102 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:44,102 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,102 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:44,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,103 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,103 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:44,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:44,103 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:44,119 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,120 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,120 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:44,120 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:44,120 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:44,120 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,120 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:44,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,121 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,121 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,123 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,123 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:44,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:44,123 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:44,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,140 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,140 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:44,140 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,140 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,140 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,142 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,142 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,142 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:44,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:44,142 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:44,158 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,158 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,158 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:44,158 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,158 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,158 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,160 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,160 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,160 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:44,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:44,160 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:44,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,177 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,177 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:44,177 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,177 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,177 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,179 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,179 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,179 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:44,179 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:44,179 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:44,196 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,196 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,197 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:44,197 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,197 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,197 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,199 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,199 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,199 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:44,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:44,199 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:44,216 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,216 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,216 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:44,216 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,216 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,216 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,217 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,218 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,218 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:44,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:44,218 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:44,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,235 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,235 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:44,236 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,236 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,236 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,238 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,238 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,238 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:44,238 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:44,238 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:44,254 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,255 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,255 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:44,255 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,255 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,255 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,257 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,257 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,257 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:44,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:44,257 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:44,274 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,274 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,274 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:44,274 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,274 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,274 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,276 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,276 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,276 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:44,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:44,276 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:44,293 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,294 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,294 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:44,294 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:44,294 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:44,294 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,294 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:44,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,296 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,296 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:44,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:44,296 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:44,312 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,312 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,313 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:44,313 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:44,313 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,313 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:44,314 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,314 - INFO - number of orbitals:  88
-2024-12-09 10:29:44,314 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,314 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,314 - INFO - moving on ...
-2024-12-09 10:29:44,314 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:44,315 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:44,315 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:44,315 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,315 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:44,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,316 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,316 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:44,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:44,316 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:44,332 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,332 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,333 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:44,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:44,333 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,333 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:44,334 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,334 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,334 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,334 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:44,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:44,334 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:44,351 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,351 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,351 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:44,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:44,352 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,352 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:44,352 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:44,352 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:44,352 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,352 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:44,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,353 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,353 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,353 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:44,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:44,353 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:44,371 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,371 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,371 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:44,371 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:44,371 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:44,371 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,371 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:44,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,373 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,373 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,373 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:44,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:44,373 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:44,390 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,390 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,391 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:44,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:44,391 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,391 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:44,391 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:44,391 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:44,391 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,391 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:44,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,393 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,393 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,393 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:44,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:44,393 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:44,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,410 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,410 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:44,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:44,410 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,410 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:44,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,412 - INFO - number of orbitals:  116
-2024-12-09 10:29:44,412 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,412 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,412 - INFO - moving on ...
-2024-12-09 10:29:44,412 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:44,412 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:44,412 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:44,412 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,412 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:44,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,414 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,414 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,414 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:44,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:44,414 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:44,431 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,431 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,431 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:44,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:44,432 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,432 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:44,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,433 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,433 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:44,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:44,434 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:44,450 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,451 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,451 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:44,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:44,451 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,451 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:44,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,453 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,453 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:44,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:44,453 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:44,469 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,469 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,470 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:44,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:44,470 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,470 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:44,470 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:44,470 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:44,470 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,470 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:44,470 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,471 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,472 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,472 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,472 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:44,472 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:44,472 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:44,489 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,489 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,489 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:44,489 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,489 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,489 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,491 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,491 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,491 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,491 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:44,491 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:44,491 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:44,508 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,508 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,508 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:44,508 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,508 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,508 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,510 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,510 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,510 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:44,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:44,510 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:44,526 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,527 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,527 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:44,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,529 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,529 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,529 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:44,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:44,529 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:29:44,545 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,545 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,545 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:44,546 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,546 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,546 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,547 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,548 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,548 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,548 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:44,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:44,548 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:44,564 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,564 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,565 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:44,565 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,565 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,565 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,567 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,567 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,567 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:44,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:44,567 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:44,583 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,584 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,584 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:44,584 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,584 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,584 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,586 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,586 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,586 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:44,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:44,586 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:44,602 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,602 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,602 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:44,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,605 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,605 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,605 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:29:44,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:29:44,605 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:29:44,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,621 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,622 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:44,622 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,624 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,624 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,624 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:44,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:44,624 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:44,639 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,640 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,640 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:44,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,642 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,642 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,642 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:44,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:44,642 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:44,657 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,657 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,657 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:44,657 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,658 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,658 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,659 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,659 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,659 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,659 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:44,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:44,660 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:44,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,676 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,676 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:44,676 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,678 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,678 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,678 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:29:44,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:29:44,678 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:29:44,694 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,695 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,695 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:44,695 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:44,695 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:44,695 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,695 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:44,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,696 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,696 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,697 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:44,697 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:44,697 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:44,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,713 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,713 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:44,714 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:44,714 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,714 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:44,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,715 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,715 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:44,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:44,716 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:44,732 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,732 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,732 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:44,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:44,732 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,732 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:44,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,734 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,734 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,734 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:44,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:44,734 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:44,750 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,751 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,751 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:44,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:44,751 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,751 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:44,751 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:44,751 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:44,751 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,751 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:44,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,753 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,753 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:44,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:44,753 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:44,770 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,771 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,771 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:44,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:44,771 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,771 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:44,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,772 - INFO - number of orbitals:  110
-2024-12-09 10:29:44,772 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,772 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,772 - INFO - moving on ...
-2024-12-09 10:29:44,772 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:44,773 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,774 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,774 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,774 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:44,774 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:44,774 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:44,790 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,791 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,791 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:44,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:44,791 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,791 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:44,791 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:44,792 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:44,792 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,792 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:44,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,793 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,793 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,793 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:44,793 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:44,794 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:44,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,811 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,811 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:44,811 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:44,811 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,811 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:44,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,813 - INFO - number of orbitals:  110
-2024-12-09 10:29:44,813 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:44,813 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:44,813 - INFO - moving on ...
-2024-12-09 10:29:44,813 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:44,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,814 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,814 - INFO - number of supporting files: 2
-2024-12-09 10:29:44,814 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:44,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:44,814 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:44,831 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,832 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,832 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:44,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:44,832 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:44,832 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:44,832 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:44,832 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:44,832 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:44,832 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:44,832 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,832 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,833 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,835 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,835 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:44,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:44,835 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:44,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,852 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,852 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:44,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,855 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,855 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:44,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:44,855 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:44,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,872 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,872 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:44,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,875 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,875 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:44,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:44,875 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:44,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,892 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,892 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:44,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,894 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,894 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:44,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:44,894 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:44,910 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,911 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,911 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:44,911 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,911 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,911 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,912 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,913 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,913 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:44,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:44,913 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:44,929 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,930 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,930 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:44,930 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,930 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,930 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,931 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,932 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,932 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:44,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:44,932 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:44,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,949 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,949 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:44,949 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,949 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,949 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,951 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,951 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,951 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,951 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:44,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:44,952 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:44,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,968 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,968 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:44,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,970 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,970 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,971 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:44,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:44,971 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:44,986 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:44,987 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:44,987 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:44,987 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:44,987 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:44,987 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:44,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:44,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:44,989 - INFO - number of supporting files: 1
-2024-12-09 10:29:44,989 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:44,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:44,989 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:45,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,006 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,006 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:45,006 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:45,006 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:45,006 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,006 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:45,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,008 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,008 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,008 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:45,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:45,008 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:45,024 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,024 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,024 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:45,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:45,025 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,025 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:45,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,026 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,026 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,026 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,026 - INFO - moving on ...
-2024-12-09 10:29:45,027 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:45,027 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:45,027 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:45,027 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,027 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:45,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,028 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,028 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,028 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:29:45,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:29:45,028 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:29:45,044 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,045 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,045 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:29:45,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:29:45,045 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,045 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:45,045 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:45,045 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:45,045 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,045 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:45,047 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,047 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,047 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,047 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:45,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:45,047 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:45,062 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,063 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,063 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:45,063 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:45,063 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:45,063 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,063 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:45,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,065 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,065 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:45,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:45,065 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:45,082 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,082 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,082 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:45,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:45,082 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,082 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:45,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,084 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,084 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,084 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:45,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:45,084 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:45,100 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,100 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,101 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:45,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:45,101 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,101 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:45,101 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:45,101 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:45,101 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,101 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:45,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,102 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,102 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,102 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:45,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:45,103 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:45,118 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,118 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,118 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:45,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:45,118 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,118 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:45,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,120 - INFO - number of orbitals:  90
-2024-12-09 10:29:45,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,120 - INFO - moving on ...
-2024-12-09 10:29:45,120 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:45,120 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:45,120 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:45,120 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,120 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:45,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,122 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,122 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,122 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:45,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:45,122 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:45,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,139 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,139 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:45,139 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:45,139 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:45,139 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,140 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:45,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,141 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,141 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:45,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:45,141 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:45,158 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,158 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,158 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:45,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:45,158 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,158 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:45,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,160 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,160 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,160 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,160 - INFO - moving on ...
-2024-12-09 10:29:45,160 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:45,160 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:45,160 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:45,160 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,160 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:45,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,161 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,161 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:45,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:45,161 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:45,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,177 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,177 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:45,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:45,177 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,177 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:45,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,179 - INFO - number of orbitals:  106
-2024-12-09 10:29:45,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,179 - INFO - moving on ...
-2024-12-09 10:29:45,179 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:45,179 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:45,179 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:45,179 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,179 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:45,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,180 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,180 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,180 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:45,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:45,180 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:45,197 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,197 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,197 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:45,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:45,198 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,198 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:45,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,199 - INFO - number of orbitals:  118
-2024-12-09 10:29:45,199 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,199 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,199 - INFO - moving on ...
-2024-12-09 10:29:45,199 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:45,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,201 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,201 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,201 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:45,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:45,201 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:45,216 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,216 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,217 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:45,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:45,217 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,217 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:45,217 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:45,217 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:45,217 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,217 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:45,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,218 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,219 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:45,219 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:45,219 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:45,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,235 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,235 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:45,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:45,236 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,236 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:45,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,237 - INFO - number of orbitals:  114
-2024-12-09 10:29:45,237 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,237 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,237 - INFO - moving on ...
-2024-12-09 10:29:45,237 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:45,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,238 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,239 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,239 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:45,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:45,239 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:45,255 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,255 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,255 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:45,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:45,256 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,256 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:45,256 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:45,256 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:45,256 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,256 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:45,257 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,257 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,258 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,258 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:45,258 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:45,258 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:45,275 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,275 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,275 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:45,275 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:45,275 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,275 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:45,277 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,277 - INFO - number of orbitals:  115
-2024-12-09 10:29:45,277 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,277 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,277 - INFO - moving on ...
-2024-12-09 10:29:45,277 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:45,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,278 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,278 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:45,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:45,278 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:45,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,295 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,295 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:45,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:45,296 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,296 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:45,296 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:45,296 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:45,296 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,296 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:45,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,298 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,298 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:45,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:45,298 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:45,314 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,315 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,315 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:45,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:45,315 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,315 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:45,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,317 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,317 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:29:45,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:29:45,317 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:29:45,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,334 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,334 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:29:45,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:29:45,334 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,334 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:45,334 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:45,334 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:45,334 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,334 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:45,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,336 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,336 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:45,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:45,336 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:45,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,354 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,354 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:45,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:45,354 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,354 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:45,354 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:45,354 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:45,354 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,354 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:45,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,356 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,356 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:45,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:45,356 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:45,372 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,372 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,372 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:45,372 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:45,372 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:45,372 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,372 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:45,373 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,374 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,374 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:45,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:45,374 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:45,390 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,391 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,391 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:45,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:45,391 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,391 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:45,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,393 - INFO - number of orbitals:  86
-2024-12-09 10:29:45,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,393 - INFO - moving on ...
-2024-12-09 10:29:45,393 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:45,393 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:45,393 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:45,393 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,393 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:45,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,394 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,395 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:45,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:45,395 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:45,411 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,411 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,412 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:45,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:45,412 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,412 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:45,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,413 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,413 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,413 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,413 - INFO - moving on ...
-2024-12-09 10:29:45,413 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:45,414 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:45,414 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:45,414 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,414 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:45,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,415 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,415 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,415 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:45,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:45,415 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:45,431 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,432 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,432 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:45,432 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:45,432 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:45,432 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,432 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:45,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,434 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,434 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,434 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:45,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:45,434 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:45,450 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,451 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,451 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:45,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:45,451 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,451 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:45,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,452 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,453 - INFO - moving on ...
-2024-12-09 10:29:45,453 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:45,453 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:45,453 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:45,453 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,453 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:45,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,454 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,454 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,454 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:29:45,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:29:45,454 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:29:45,471 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,471 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,471 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:29:45,471 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:29:45,472 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,472 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:45,472 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:45,472 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:45,472 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,472 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:45,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,473 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,473 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,473 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:45,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:45,474 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:45,490 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,491 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,491 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:45,491 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:45,491 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:45,491 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,491 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:45,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,493 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,493 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,493 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:45,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:45,493 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:45,510 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,510 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,510 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:45,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:45,510 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,510 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:45,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,512 - INFO - number of orbitals:  116
-2024-12-09 10:29:45,512 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,512 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,512 - INFO - moving on ...
-2024-12-09 10:29:45,512 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:45,512 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:45,512 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:45,512 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,512 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:45,513 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,514 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,514 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,514 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:45,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:45,514 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:45,531 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,531 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,531 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:45,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:45,531 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,531 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:45,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,533 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,533 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,533 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,533 - INFO - moving on ...
-2024-12-09 10:29:45,533 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:45,533 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:45,533 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:45,533 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,533 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:45,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,535 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,535 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:45,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:45,535 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:45,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,552 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,552 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:45,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:45,552 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,552 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:45,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,553 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,553 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,553 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,553 - INFO - moving on ...
-2024-12-09 10:29:45,553 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:45,554 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:45,554 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:45,554 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,554 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:45,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,555 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,555 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,555 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:45,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:45,555 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:45,572 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,572 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,572 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:45,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:45,572 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,572 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:45,574 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,574 - INFO - number of orbitals:  110
-2024-12-09 10:29:45,574 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,574 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,574 - INFO - moving on ...
-2024-12-09 10:29:45,574 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:45,575 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,575 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,576 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,576 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:45,576 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:45,576 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:45,592 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,592 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,592 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:45,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:45,593 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,593 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:45,593 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:45,593 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:45,593 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,593 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:45,594 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,594 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,594 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,595 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:45,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:45,595 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:45,611 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,612 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,612 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:45,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:45,612 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,612 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:45,613 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,613 - INFO - number of orbitals:  135
-2024-12-09 10:29:45,613 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,613 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,613 - INFO - moving on ...
-2024-12-09 10:29:45,613 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:45,614 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,615 - INFO - number of orbitals:  88
-2024-12-09 10:29:45,615 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,615 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,615 - INFO - moving on ...
-2024-12-09 10:29:45,615 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:45,615 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:45,615 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:45,615 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,615 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:45,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,616 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,617 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,617 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:45,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:45,617 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:45,634 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,634 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,634 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:45,634 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:45,634 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,634 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:45,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,636 - INFO - number of orbitals:  119
-2024-12-09 10:29:45,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,636 - INFO - moving on ...
-2024-12-09 10:29:45,636 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:45,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,637 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,637 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,637 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:45,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:45,638 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:45,654 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,655 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,655 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:45,655 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:45,655 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,655 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:45,655 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:45,655 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:45,655 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,655 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:45,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,657 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,657 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,657 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:45,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:45,657 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:45,674 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,674 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,674 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:45,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:45,674 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,674 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:45,676 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,676 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,676 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,676 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:45,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:45,676 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:45,693 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,694 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,694 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:45,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:45,694 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,694 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:45,694 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:45,694 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:45,694 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,694 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:45,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,696 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,696 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,696 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:45,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:45,696 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:45,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,713 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,713 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:45,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:45,714 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,714 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:45,714 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:45,714 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:45,714 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,714 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:45,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,715 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,715 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:45,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:45,716 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:45,734 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,734 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,734 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:45,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:45,734 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,734 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:45,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,736 - INFO - number of orbitals:  89
-2024-12-09 10:29:45,736 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,736 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,736 - INFO - moving on ...
-2024-12-09 10:29:45,736 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:45,737 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,737 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,737 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,737 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:45,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:45,737 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:45,753 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,754 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,754 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:45,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:45,754 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,754 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:45,754 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:45,754 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:45,754 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,754 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:45,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,756 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,756 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:45,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:45,756 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:45,772 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,773 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,773 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:45,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:45,773 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,773 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:45,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,774 - INFO - number of orbitals:  94
-2024-12-09 10:29:45,775 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,775 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,775 - INFO - moving on ...
-2024-12-09 10:29:45,775 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:45,775 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:45,775 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:45,775 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,775 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:45,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,776 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,776 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,776 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:45,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:45,776 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:45,793 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,793 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,793 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:45,794 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:45,794 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:45,794 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,794 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:45,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,795 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,795 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,795 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:45,795 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:45,796 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:45,812 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,812 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,812 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:45,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:45,812 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,812 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:45,813 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,814 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,814 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,814 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:29:45,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:29:45,814 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:29:45,830 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,831 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,831 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:29:45,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:29:45,831 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,831 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:45,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,832 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,832 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,832 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:45,833 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:45,833 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:45,849 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,850 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,850 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:45,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:45,850 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,850 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:45,850 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:45,850 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:45,850 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,850 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:45,850 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,850 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,850 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,852 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,852 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,853 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:45,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:45,853 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:45,869 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,870 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,870 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:45,870 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,870 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,870 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,872 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,872 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:45,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:45,872 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:45,889 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,889 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,889 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:45,889 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,889 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,889 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,891 - INFO - number of orbitals:  90
-2024-12-09 10:29:45,891 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,891 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,891 - INFO - moving on ...
-2024-12-09 10:29:45,891 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:45,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,893 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,894 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:45,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:45,894 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:45,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,910 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,910 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:45,910 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,910 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,910 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,912 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,912 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,912 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:45,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:45,912 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:45,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,928 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,928 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:45,928 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:45,928 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:45,928 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:45,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,930 - INFO - number of orbitals:  90
-2024-12-09 10:29:45,930 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,930 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,931 - INFO - moving on ...
-2024-12-09 10:29:45,931 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:45,931 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:45,931 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:45,931 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,931 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:45,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,932 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,932 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:45,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:45,932 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:45,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,949 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,949 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:45,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:45,949 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,949 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:45,950 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,951 - INFO - number of orbitals:  115
-2024-12-09 10:29:45,951 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:45,951 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:45,951 - INFO - moving on ...
-2024-12-09 10:29:45,951 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:45,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,952 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,952 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:45,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:45,952 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:45,968 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,968 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,968 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:45,968 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:45,968 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,968 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:45,969 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:45,969 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:45,969 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,969 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:45,970 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,970 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,970 - INFO - number of supporting files: 2
-2024-12-09 10:29:45,970 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:29:45,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:29:45,970 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:29:45,987 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:45,987 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:45,987 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:29:45,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:29:45,987 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:45,987 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:45,987 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:45,987 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:45,987 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:45,987 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:45,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:45,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:45,989 - INFO - number of supporting files: 1
-2024-12-09 10:29:45,989 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:45,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:45,989 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:46,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,006 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,006 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:46,006 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:46,006 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:46,006 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,006 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:46,006 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,007 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,007 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,008 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,009 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,009 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:46,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:46,009 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:46,025 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,025 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,025 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:46,025 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,027 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,027 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:46,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:46,027 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:46,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,043 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,043 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:46,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,044 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,046 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,046 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,046 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:46,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:46,046 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,062 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,062 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,062 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:46,062 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,065 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,065 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:46,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:46,065 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:46,080 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,081 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,081 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:46,081 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,081 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,081 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,083 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,083 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,083 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:46,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:46,083 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:46,100 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,100 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,100 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:46,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,103 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,103 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:46,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:46,103 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,119 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,119 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,120 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:46,120 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:46,120 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:46,120 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,120 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:46,120 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,120 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,120 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,122 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,123 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,123 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:46,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:46,123 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,143 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,144 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,144 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:46,144 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,144 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,144 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,146 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,146 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,146 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:46,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:46,146 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:46,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,163 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,163 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:46,163 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,163 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,163 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,165 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,165 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:46,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:46,165 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:46,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,182 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,182 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:46,182 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:46,182 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:46,182 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,183 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:46,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,184 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,184 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,184 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:29:46,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:29:46,184 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:29:46,200 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,200 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,201 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:29:46,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:29:46,201 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,201 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:46,201 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:46,201 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:46,201 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,201 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:46,201 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,204 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,204 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:46,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:46,204 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:46,220 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,220 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,220 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:46,220 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,220 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,220 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,222 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,222 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,222 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:46,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:46,222 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:46,238 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,238 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,238 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:46,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,240 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,240 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:46,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:46,241 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:46,257 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,257 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,257 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:46,257 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,258 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,258 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,260 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,260 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,260 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:46,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:46,260 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,276 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,276 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,276 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:46,276 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,277 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,277 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,279 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,279 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:46,279 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:46,279 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:46,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,295 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,295 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:46,295 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,296 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,296 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,297 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,297 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,297 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:46,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:46,298 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:46,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,314 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,314 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:46,314 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,314 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,314 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,316 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,316 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:46,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:46,316 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:46,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,333 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,333 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:46,333 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,333 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,333 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,335 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,335 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,335 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:46,335 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:46,335 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:46,352 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,352 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,352 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:46,352 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,353 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,353 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,354 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,354 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,354 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:46,355 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:46,355 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:46,371 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,371 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,371 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:46,371 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,371 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,371 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,373 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,373 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,373 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:46,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:46,373 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:46,390 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,390 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,390 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:46,391 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,391 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,391 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,393 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,393 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,393 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:46,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:46,393 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:46,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,410 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,410 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:46,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,410 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,410 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,412 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,412 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,412 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:46,412 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:46,412 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,429 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,429 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,429 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:46,429 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,429 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,429 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,431 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,431 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,431 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,431 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:46,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:46,431 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:46,448 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,448 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,449 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:46,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,451 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,451 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,451 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:46,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:46,451 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:46,467 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,468 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,468 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:46,468 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,468 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,468 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,470 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,470 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,470 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:46,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:46,470 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:46,486 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,487 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,487 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:46,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,489 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,489 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,489 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:46,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:46,489 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:46,505 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,505 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,505 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:46,506 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:46,506 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:46,506 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,506 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:46,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,507 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,507 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:46,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:46,507 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:46,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,523 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,524 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:46,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:46,524 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,524 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:46,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,525 - INFO - number of orbitals:  90
-2024-12-09 10:29:46,525 - INFO - too many orbitals!  we are only considering max_num_orbitals 80.
-2024-12-09 10:29:46,525 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,525 - INFO - moving on ...
-2024-12-09 10:29:46,525 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:46,525 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:46,526 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:46,526 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,526 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:46,527 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,527 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,527 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,527 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:46,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:46,527 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:46,543 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,543 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,544 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:46,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:46,544 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,544 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:46,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,545 - INFO - number of orbitals:  118
-2024-12-09 10:29:46,545 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,545 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,545 - INFO - moving on ...
-2024-12-09 10:29:46,545 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:46,546 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,547 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,547 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,547 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:46,547 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:46,547 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,563 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,563 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,563 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:46,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:46,563 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,563 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:46,563 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:46,563 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:46,563 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,564 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:46,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,565 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,565 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:46,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:46,565 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:46,582 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,582 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,582 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:46,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:46,582 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,582 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:46,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,584 - INFO - number of orbitals:  88
-2024-12-09 10:29:46,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,584 - INFO - moving on ...
-2024-12-09 10:29:46,584 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:46,584 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:46,584 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:46,584 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,584 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:46,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,585 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,585 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,585 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:46,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:46,586 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,601 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,602 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,602 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:46,602 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:46,602 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,602 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:46,602 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:46,602 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:46,602 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,602 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:46,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,604 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,605 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:46,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:46,605 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:46,620 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,621 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,621 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:46,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,621 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,621 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,623 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,623 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,623 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:46,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:46,623 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:46,639 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,640 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,640 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:46,640 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,640 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,640 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,642 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,642 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,642 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:46,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:46,642 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,658 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,658 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,658 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:46,659 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,659 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,659 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,661 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,661 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,661 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:46,661 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:46,661 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,676 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,677 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,677 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:46,677 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,677 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,677 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,679 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,679 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,679 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:46,679 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:46,679 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:46,695 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,696 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,696 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:46,696 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,696 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,696 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,698 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,698 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,698 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:46,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:46,698 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:46,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,715 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,715 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:46,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,717 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,717 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,717 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:46,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:46,717 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:46,733 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,733 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,733 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:46,733 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,735 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,735 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:46,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:46,735 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:46,751 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,752 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,752 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:46,752 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,752 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,752 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,753 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,754 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,754 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,754 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:46,754 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:46,754 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:46,770 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,771 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,771 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:46,771 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,771 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,771 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,772 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,773 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,773 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,773 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:46,773 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:46,773 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:46,789 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,789 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,789 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:46,789 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,790 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,790 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,791 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,791 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,792 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,792 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:46,792 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:46,792 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:46,808 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,808 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,808 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:46,808 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,808 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,808 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,810 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,810 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,810 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,810 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:46,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:46,810 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:46,826 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,827 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,827 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:46,827 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:46,827 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:46,827 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,827 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:46,827 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,827 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,827 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,829 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,830 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,830 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:46,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:46,830 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:46,846 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,846 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,846 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:46,846 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,846 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,846 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,848 - INFO - number of orbitals:  108
-2024-12-09 10:29:46,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,848 - INFO - moving on ...
-2024-12-09 10:29:46,848 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:46,848 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:46,848 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:46,848 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,848 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:46,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,850 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,850 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,850 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:46,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:46,850 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:46,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,866 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,866 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:46,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:46,867 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,867 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:46,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,868 - INFO - number of orbitals:  135
-2024-12-09 10:29:46,868 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,868 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,868 - INFO - moving on ...
-2024-12-09 10:29:46,868 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:46,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,869 - INFO - number of orbitals:  88
-2024-12-09 10:29:46,869 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,869 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,869 - INFO - moving on ...
-2024-12-09 10:29:46,869 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:46,869 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:46,870 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:46,870 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,870 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:46,871 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,871 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,871 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,871 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:46,871 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:46,871 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:46,887 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,887 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,887 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:46,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:46,887 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,887 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:46,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,889 - INFO - number of orbitals:  88
-2024-12-09 10:29:46,889 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,889 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,889 - INFO - moving on ...
-2024-12-09 10:29:46,889 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:46,889 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:46,889 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:46,889 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,889 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:46,890 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,890 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,890 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:46,891 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:46,891 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:46,907 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,907 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,907 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:46,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:46,908 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,908 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:46,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,909 - INFO - number of orbitals:  88
-2024-12-09 10:29:46,909 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,909 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,909 - INFO - moving on ...
-2024-12-09 10:29:46,909 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:46,909 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:46,909 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:46,909 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,909 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:46,910 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,911 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,911 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:46,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:46,911 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:46,926 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,927 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,927 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:46,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:46,927 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,927 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:46,927 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:46,927 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:46,927 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,927 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:46,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,929 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,929 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,929 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:46,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:46,929 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:46,944 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,945 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,945 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:46,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:46,945 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,945 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:46,945 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:46,945 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:46,945 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,945 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:46,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,947 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,947 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,947 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:46,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:46,947 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:46,963 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,963 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,963 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:46,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:46,963 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,963 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:46,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,965 - INFO - number of orbitals:  118
-2024-12-09 10:29:46,965 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:46,965 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:46,965 - INFO - moving on ...
-2024-12-09 10:29:46,965 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:46,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,966 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,966 - INFO - number of supporting files: 2
-2024-12-09 10:29:46,966 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:46,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:46,966 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:46,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:46,982 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:46,982 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:46,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:46,982 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:46,982 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:46,983 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:46,983 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:46,983 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:46,983 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:46,983 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:46,983 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:46,983 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:46,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:46,985 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:46,985 - INFO - number of supporting files: 1
-2024-12-09 10:29:46,985 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:46,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:46,985 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:47,001 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,002 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,002 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:47,002 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,002 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,002 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,004 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,004 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,004 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:47,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:47,004 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:47,020 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,021 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,021 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:47,021 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,021 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,021 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,023 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,023 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,023 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:47,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:47,023 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:47,039 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,039 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,039 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:47,039 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,039 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,039 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,041 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,041 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,041 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:47,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:47,042 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:47,058 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,058 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,058 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:47,059 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,059 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,061 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,061 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,061 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:47,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:47,061 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:47,077 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,077 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,077 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:47,077 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,078 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,078 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,079 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,080 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:47,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:47,080 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:47,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,096 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,096 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:47,096 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,096 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,096 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,097 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,098 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:47,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:47,098 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:47,114 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,114 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,114 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:47,114 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,114 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,114 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,115 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,116 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,116 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,116 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:47,116 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:47,116 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:47,132 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,132 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,132 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:47,132 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:47,132 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:47,132 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,132 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:47,133 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,134 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,134 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,134 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:47,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:47,134 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:47,150 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,150 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,150 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:47,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:47,150 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,150 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:47,150 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:47,150 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:47,150 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,150 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:47,152 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,152 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,152 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,152 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:47,152 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:47,152 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:47,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,169 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,169 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:47,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:47,169 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,169 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:47,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,170 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,171 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:47,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:47,171 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:47,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,187 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,187 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:47,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:47,187 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,187 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:47,187 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:47,187 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:47,187 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,187 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:47,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,189 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,189 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:47,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:47,189 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:47,206 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,206 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,206 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:47,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:47,206 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,206 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:47,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,208 - INFO - number of orbitals:  119
-2024-12-09 10:29:47,208 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,208 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,208 - INFO - moving on ...
-2024-12-09 10:29:47,208 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:47,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,209 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,209 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,209 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:47,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:47,209 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:47,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,225 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,225 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:47,226 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:47,226 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,226 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:47,226 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:47,226 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:47,226 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,226 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:47,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,227 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,227 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:47,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:47,227 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:47,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,244 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,244 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:47,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:47,244 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,244 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:47,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,245 - INFO - number of orbitals:  135
-2024-12-09 10:29:47,246 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,246 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,246 - INFO - moving on ...
-2024-12-09 10:29:47,246 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:47,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,247 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,247 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,247 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,247 - INFO - moving on ...
-2024-12-09 10:29:47,247 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:47,247 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:47,247 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:47,247 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,247 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:47,248 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,248 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,249 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,249 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:47,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:47,249 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:47,266 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,266 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,266 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:47,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:47,266 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,267 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:47,268 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,268 - INFO - number of orbitals:  118
-2024-12-09 10:29:47,268 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,268 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,268 - INFO - moving on ...
-2024-12-09 10:29:47,268 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:47,269 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,270 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,270 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,270 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:47,270 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:47,270 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:47,287 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,287 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,288 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:47,288 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:47,288 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,288 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:47,288 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:47,288 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:47,288 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,288 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:47,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,290 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,290 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,290 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:47,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:47,290 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:47,306 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,306 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,306 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:47,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:47,307 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,307 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:47,308 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,308 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,308 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,308 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,308 - INFO - moving on ...
-2024-12-09 10:29:47,308 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:47,308 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:47,308 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:47,308 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,308 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:47,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,310 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,310 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,310 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:47,310 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:47,310 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:47,327 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,327 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,327 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:47,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:47,327 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,327 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:47,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,329 - INFO - number of orbitals:  110
-2024-12-09 10:29:47,329 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,329 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,329 - INFO - moving on ...
-2024-12-09 10:29:47,329 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:47,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,331 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,331 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:47,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:47,331 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:47,348 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,349 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,349 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:47,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:47,349 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,349 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:47,349 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:47,349 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:47,349 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,349 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:47,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,351 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,351 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,351 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:47,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:47,351 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:47,367 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,368 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,368 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:47,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:47,368 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,368 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:47,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,370 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,370 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,370 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,370 - INFO - moving on ...
-2024-12-09 10:29:47,370 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:47,370 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:47,370 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:47,370 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,370 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:47,371 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,371 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,371 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,371 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:47,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:47,371 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:47,388 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,388 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,388 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:47,388 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:47,388 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:47,389 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,389 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:47,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,390 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,390 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:47,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:47,390 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:47,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,407 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,407 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:47,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:47,407 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,407 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:47,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,409 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,409 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,409 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,409 - INFO - moving on ...
-2024-12-09 10:29:47,409 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:47,409 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:47,409 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:47,409 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,409 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:47,410 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,410 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,410 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,410 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:47,410 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:47,410 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:47,427 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,428 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,428 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:47,428 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:47,428 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:47,428 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,428 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:47,428 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,428 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,428 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,430 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,430 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:47,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:47,430 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:47,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,447 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,447 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:47,447 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,447 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,447 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,449 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,449 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,449 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:47,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:47,449 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:47,466 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,466 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,466 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:47,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,469 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,469 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:47,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:47,469 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:47,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,486 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,486 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:47,486 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,486 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,486 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,488 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,488 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,488 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:47,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:47,488 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:47,505 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,505 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,505 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:47,505 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:47,505 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:47,505 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,505 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:47,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,507 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,507 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:47,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:47,507 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:47,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,524 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,524 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:47,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:47,524 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,524 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:47,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,525 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,525 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,525 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:29:47,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:29:47,526 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:29:47,543 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,543 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,543 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:29:47,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:29:47,544 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,544 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:47,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,545 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,545 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,545 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:47,545 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:47,545 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:47,562 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,563 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,563 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:47,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:47,563 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,563 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:47,563 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:47,563 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:47,563 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,563 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:47,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,565 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,565 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:47,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:47,565 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:47,582 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,582 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,582 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:47,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:47,582 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,582 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:47,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,584 - INFO - number of orbitals:  110
-2024-12-09 10:29:47,584 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,584 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,584 - INFO - moving on ...
-2024-12-09 10:29:47,584 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:47,585 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,586 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,586 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,586 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:47,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:47,586 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:47,602 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,602 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,602 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:47,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:47,603 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,603 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:47,603 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:47,603 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:47,603 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,603 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:47,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,604 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,604 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:47,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:47,605 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:47,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,621 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,622 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:47,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:47,622 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,622 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:47,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,623 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,623 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,623 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:29:47,623 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:29:47,623 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:29:47,640 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,640 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,640 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:29:47,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:29:47,640 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,640 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:47,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,642 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,642 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,642 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:47,642 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:47,642 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:47,658 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,658 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,659 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:47,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:47,659 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,659 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:47,659 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:47,659 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:47,659 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,659 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:47,660 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,660 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,660 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,660 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:47,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:47,660 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:47,676 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,677 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,677 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:47,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:47,677 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,677 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:47,678 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,678 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,678 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,678 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,678 - INFO - moving on ...
-2024-12-09 10:29:47,678 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:47,679 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:47,679 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:47,679 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,679 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:47,680 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,680 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,680 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,680 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:47,680 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:47,680 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:47,697 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,697 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,697 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:47,697 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:47,697 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:47,698 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,698 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:47,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,700 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,700 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,700 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:47,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:47,700 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:47,716 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,716 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,716 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:47,716 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,716 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,716 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,718 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,718 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,718 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,718 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:47,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:47,719 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:47,735 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,735 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,735 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:47,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,737 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,737 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,737 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:47,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:47,737 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:47,753 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,754 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,754 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:47,754 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,754 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,754 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,756 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,756 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,756 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:47,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:47,756 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:47,774 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,774 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,774 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:47,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,774 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,777 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,777 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:47,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:47,777 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:47,793 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,794 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,794 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:47,794 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,794 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,794 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,797 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,797 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:47,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:47,797 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:47,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,814 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,814 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:47,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,816 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,816 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:47,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:47,816 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:47,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,833 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,833 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:47,833 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,833 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,833 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,835 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,835 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:47,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:47,835 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:47,851 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,852 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,852 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:47,852 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:47,852 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:47,852 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:47,853 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,854 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,854 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,854 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:47,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:47,854 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:47,870 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,871 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,871 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:47,871 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:47,871 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:47,871 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,871 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:47,872 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,872 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,872 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,872 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:47,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:47,873 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:47,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,890 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,890 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:47,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:47,890 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,890 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:47,891 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,892 - INFO - number of orbitals:  88
-2024-12-09 10:29:47,892 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,892 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,892 - INFO - moving on ...
-2024-12-09 10:29:47,892 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:47,892 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:47,892 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:47,892 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,892 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:47,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,893 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,893 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:47,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:47,893 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:47,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,910 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,910 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:47,910 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:47,910 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,910 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:47,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,911 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,911 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:47,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:47,912 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:47,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,928 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,928 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:47,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:47,928 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,929 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:47,929 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:47,929 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:47,929 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,929 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:47,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,930 - INFO - number of supporting files: 1
-2024-12-09 10:29:47,930 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:47,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:47,930 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:47,946 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,947 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,947 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:47,947 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:47,947 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:47,947 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,947 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:47,948 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,949 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,949 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:47,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:47,949 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:47,964 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,965 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,965 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:47,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:47,965 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,965 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:47,965 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:47,965 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:47,965 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,965 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:47,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,967 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,967 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,967 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:47,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:47,967 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:47,984 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:47,984 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:47,984 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:47,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:47,984 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:47,984 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:47,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,986 - INFO - number of orbitals:  116
-2024-12-09 10:29:47,986 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:47,986 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:47,986 - INFO - moving on ...
-2024-12-09 10:29:47,986 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:47,986 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:47,987 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:47,987 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:47,987 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:47,988 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:47,988 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:47,988 - INFO - number of supporting files: 2
-2024-12-09 10:29:47,988 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:47,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:47,988 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:48,004 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,005 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,005 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:48,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:48,005 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,005 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:48,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,006 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,006 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,006 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:48,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:48,006 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:48,022 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,023 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,023 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:48,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:48,023 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,023 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:48,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,024 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,024 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,025 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:48,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:48,025 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:48,040 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,041 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,041 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:48,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:48,041 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,041 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:48,041 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:48,041 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:48,041 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,041 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:48,041 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,041 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,041 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,043 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,043 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,043 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,043 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:48,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:48,044 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:48,059 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,060 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,060 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:48,060 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,060 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,060 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,062 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,062 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,062 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:48,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:48,062 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:48,078 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,078 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,078 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:48,078 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,079 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,079 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,080 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,080 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,080 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,081 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:48,081 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:48,081 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:48,096 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,097 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,097 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:48,097 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,105 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,107 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,107 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,107 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:48,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:48,108 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:29:48,130 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,130 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,130 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:48,131 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,131 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,131 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,132 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,133 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,133 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:48,133 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:48,133 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:48,148 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,149 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,149 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:48,149 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,149 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,149 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,150 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,151 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,151 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:48,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:48,151 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:48,166 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,166 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,166 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:48,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,167 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,167 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,168 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,169 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,169 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:48,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:48,169 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:48,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,184 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,185 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:48,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,186 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,187 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,187 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:29:48,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:29:48,187 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:29:48,202 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,202 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,202 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:48,202 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,202 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,202 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,205 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,205 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:48,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:48,205 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:48,220 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,221 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,221 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:48,221 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,221 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,221 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,223 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,223 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:48,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:48,223 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:48,239 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,240 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,240 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:48,240 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,240 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,240 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,242 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,242 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:48,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:48,242 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:48,258 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,258 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,259 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:48,259 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,259 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,259 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,261 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,261 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,261 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:29:48,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:29:48,261 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:29:48,277 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,278 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,278 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:48,278 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:48,278 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:48,278 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,278 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:48,279 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,280 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,280 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,280 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:48,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:48,280 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:48,296 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,296 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,296 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:48,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:48,296 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,296 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:48,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,298 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,298 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:48,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:48,298 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:48,315 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,315 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,315 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:48,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:48,315 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,315 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:48,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,317 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,317 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,317 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:48,317 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:48,317 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:48,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,334 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,334 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:48,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:48,334 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,334 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:48,334 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:48,334 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:48,334 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,334 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:48,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,336 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,336 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:48,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:48,336 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:48,352 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,353 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,353 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:48,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:48,353 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,353 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:48,354 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,354 - INFO - number of orbitals:  110
-2024-12-09 10:29:48,355 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,355 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,355 - INFO - moving on ...
-2024-12-09 10:29:48,355 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:48,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,356 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,356 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:48,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:48,356 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:48,372 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,372 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,372 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:48,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:48,373 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,373 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:48,373 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:48,373 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:48,373 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,373 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:48,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,374 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,374 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,374 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:48,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:48,374 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:48,391 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,391 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,391 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:48,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:48,392 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,392 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:48,393 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,393 - INFO - number of orbitals:  110
-2024-12-09 10:29:48,393 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,393 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,393 - INFO - moving on ...
-2024-12-09 10:29:48,393 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:48,394 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,394 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,395 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,395 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:48,395 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:48,395 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:48,411 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,411 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,411 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:48,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:48,411 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,411 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:48,411 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:48,411 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:48,412 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,412 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:48,412 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,412 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,412 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,413 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,414 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,414 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,414 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:48,414 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:48,414 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:48,430 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,431 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,431 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:48,431 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,431 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,431 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,432 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,433 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,433 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:48,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:48,433 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:48,449 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,449 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,449 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:48,449 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,449 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,449 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,451 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,451 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,451 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,451 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:48,451 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:48,452 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:48,468 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,468 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,468 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:48,468 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,468 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,468 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,470 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,470 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,470 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,470 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:48,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:48,470 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:48,487 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,487 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,487 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:48,487 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,487 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,487 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,489 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,489 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,489 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:48,489 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:48,489 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:48,505 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,505 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,505 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:48,505 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,506 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,506 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,507 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,507 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,508 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:48,508 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:48,508 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:48,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,523 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,523 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:48,523 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,524 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,524 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,526 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,526 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,526 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:48,526 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:48,526 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:48,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,542 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,542 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:48,542 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,542 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,542 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,544 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,544 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:48,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:48,544 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:48,560 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,560 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,560 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:48,560 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:48,560 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:48,560 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:48,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,562 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,562 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:48,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:48,562 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:48,577 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,578 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,578 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:48,578 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:48,578 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:48,578 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,578 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:48,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,579 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,579 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,580 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:48,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:48,580 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:48,595 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,596 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,596 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:48,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:48,596 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,596 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:48,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,597 - INFO - number of orbitals:  88
-2024-12-09 10:29:48,597 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,597 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,597 - INFO - moving on ...
-2024-12-09 10:29:48,597 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:48,598 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:48,598 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:48,598 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,598 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:48,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,599 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,599 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,599 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:29:48,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:29:48,599 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:29:48,614 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,615 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,615 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:29:48,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:29:48,615 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,615 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:48,615 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:48,615 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:48,615 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,615 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:48,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,617 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,617 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,617 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:48,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:48,617 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:48,633 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,633 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,633 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:48,634 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:48,634 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:48,634 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,634 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:48,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,635 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:48,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:48,635 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:48,651 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,651 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,651 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:48,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:48,651 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,651 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:48,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,653 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,653 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,653 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:48,653 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:48,653 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:48,668 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,669 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,669 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:48,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:48,669 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,669 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:48,669 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:48,669 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:48,669 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,669 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:48,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,671 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,671 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,671 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:48,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:48,671 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:48,686 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,687 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,687 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:48,687 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:48,687 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,687 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:48,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,688 - INFO - number of orbitals:  90
-2024-12-09 10:29:48,689 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,689 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,689 - INFO - moving on ...
-2024-12-09 10:29:48,689 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:48,689 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:48,689 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:48,689 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,689 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:48,690 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,690 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,690 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,690 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:48,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:48,690 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:48,705 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,706 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,706 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:48,706 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:48,706 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:48,706 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,706 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:48,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,708 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,708 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,708 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:48,708 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:48,708 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:48,724 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,724 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,724 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:48,724 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:48,725 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,725 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:48,726 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,726 - INFO - number of orbitals:  88
-2024-12-09 10:29:48,726 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,726 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,726 - INFO - moving on ...
-2024-12-09 10:29:48,726 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:48,726 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:48,726 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:48,726 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,726 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:48,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,728 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,728 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,728 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:48,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:48,728 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:48,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,744 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,745 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:48,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:48,745 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,745 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:48,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,746 - INFO - number of orbitals:  106
-2024-12-09 10:29:48,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,746 - INFO - moving on ...
-2024-12-09 10:29:48,746 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:48,746 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:48,746 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:48,746 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,746 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:48,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,748 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,748 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,748 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:48,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:48,748 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:48,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,764 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,764 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:48,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:48,764 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,765 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:48,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,766 - INFO - number of orbitals:  118
-2024-12-09 10:29:48,766 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,766 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,766 - INFO - moving on ...
-2024-12-09 10:29:48,766 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:48,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,768 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,768 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,768 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:48,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:48,768 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:48,785 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,785 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,785 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:48,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:48,785 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,785 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:48,786 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:48,786 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:48,786 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,786 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:48,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,787 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,787 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,787 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:48,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:48,787 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:48,806 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,806 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,806 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:48,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:48,806 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,806 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:48,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,808 - INFO - number of orbitals:  114
-2024-12-09 10:29:48,808 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,808 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,808 - INFO - moving on ...
-2024-12-09 10:29:48,808 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:48,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,810 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,810 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,810 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:48,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:48,810 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:48,827 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,827 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,827 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:48,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:48,827 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,827 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:48,828 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:48,828 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:48,828 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,828 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:48,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,829 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,829 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,829 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:48,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:48,829 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:48,846 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,846 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,847 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:48,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:48,847 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,847 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:48,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,848 - INFO - number of orbitals:  115
-2024-12-09 10:29:48,848 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,848 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,848 - INFO - moving on ...
-2024-12-09 10:29:48,848 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:48,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,850 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,850 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,850 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:48,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:48,850 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:48,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,867 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,867 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:48,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:48,867 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,867 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:48,867 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:48,867 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:48,867 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,867 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:48,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,869 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,869 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,869 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:48,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:48,869 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:48,885 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,885 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,886 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:48,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:48,886 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,886 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:48,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,887 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,887 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,887 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:29:48,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:29:48,887 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:29:48,904 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,904 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,904 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:29:48,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:29:48,904 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,904 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:48,904 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:48,904 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:48,905 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,905 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:48,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,906 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,906 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,906 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:48,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:48,906 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:48,925 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,926 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,926 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:48,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:48,926 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,926 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:48,926 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:48,926 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:48,926 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,926 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:48,928 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,928 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,928 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,928 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:48,929 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:48,929 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:48,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,947 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,947 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:48,948 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:48,948 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:48,948 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,948 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:48,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,949 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,949 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:48,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:48,949 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:48,965 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,966 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,966 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:48,966 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:48,966 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,966 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:48,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,968 - INFO - number of orbitals:  86
-2024-12-09 10:29:48,968 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,968 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,968 - INFO - moving on ...
-2024-12-09 10:29:48,968 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:48,968 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:48,968 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:48,968 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,968 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:48,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,969 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,969 - INFO - number of supporting files: 2
-2024-12-09 10:29:48,969 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:48,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:48,969 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:48,985 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:48,986 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:48,986 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:48,986 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:48,986 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:48,986 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:48,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,987 - INFO - number of orbitals:  88
-2024-12-09 10:29:48,987 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:48,987 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:48,987 - INFO - moving on ...
-2024-12-09 10:29:48,987 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:48,988 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:48,988 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:48,988 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:48,988 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:48,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:48,989 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:48,989 - INFO - number of supporting files: 1
-2024-12-09 10:29:48,989 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:48,989 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:48,989 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:49,005 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,005 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,005 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:49,005 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:49,005 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:49,005 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,005 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:49,006 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,007 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,007 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,007 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:49,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:49,007 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:49,023 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,024 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,024 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:49,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:49,024 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,024 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:49,025 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,025 - INFO - number of orbitals:  88
-2024-12-09 10:29:49,025 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,025 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,025 - INFO - moving on ...
-2024-12-09 10:29:49,025 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:49,026 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:49,026 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:49,026 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,026 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:49,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,027 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,027 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:29:49,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:29:49,027 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:29:49,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,043 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,043 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:29:49,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:29:49,043 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,043 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:49,043 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:49,043 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:49,044 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,044 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:49,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,045 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,045 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:49,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:49,045 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:49,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,063 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,063 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:49,064 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:49,064 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:49,064 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,064 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:49,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,067 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,067 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,067 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:49,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:49,067 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:49,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,084 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,084 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:49,084 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:49,084 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,085 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:49,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,086 - INFO - number of orbitals:  116
-2024-12-09 10:29:49,086 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,086 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,086 - INFO - moving on ...
-2024-12-09 10:29:49,086 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:49,086 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:49,086 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:49,086 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,086 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:49,087 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,088 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,088 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,088 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:49,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:49,088 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:49,104 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,104 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,104 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:49,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:49,104 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,104 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:49,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,106 - INFO - number of orbitals:  88
-2024-12-09 10:29:49,106 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,106 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,106 - INFO - moving on ...
-2024-12-09 10:29:49,106 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:49,106 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:49,106 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:49,106 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,106 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:49,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,107 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,107 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,108 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:49,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:49,108 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:49,124 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,125 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,125 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:49,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:49,125 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,125 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:49,126 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,126 - INFO - number of orbitals:  88
-2024-12-09 10:29:49,126 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,126 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,126 - INFO - moving on ...
-2024-12-09 10:29:49,126 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:49,127 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:49,127 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:49,127 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,127 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:49,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,128 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,128 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,128 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:49,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:49,128 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:49,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,145 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,145 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:49,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:49,145 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,145 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:49,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,147 - INFO - number of orbitals:  110
-2024-12-09 10:29:49,147 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,147 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,147 - INFO - moving on ...
-2024-12-09 10:29:49,147 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:49,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,148 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,148 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:49,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:49,148 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:49,164 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,164 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,164 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:49,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:49,164 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,164 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:49,165 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:49,165 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:49,165 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,165 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:49,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,166 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,166 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,166 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:49,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:49,167 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:49,183 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,184 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,184 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:49,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:49,184 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,184 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:49,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,186 - INFO - number of orbitals:  135
-2024-12-09 10:29:49,186 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,186 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,186 - INFO - moving on ...
-2024-12-09 10:29:49,186 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:49,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,187 - INFO - number of orbitals:  88
-2024-12-09 10:29:49,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,187 - INFO - moving on ...
-2024-12-09 10:29:49,187 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:49,187 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:49,187 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:49,187 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,187 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:49,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,189 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,189 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:49,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:49,189 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:49,205 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,205 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,205 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:49,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:49,205 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,205 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:49,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,207 - INFO - number of orbitals:  119
-2024-12-09 10:29:49,207 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,207 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,207 - INFO - moving on ...
-2024-12-09 10:29:49,207 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:49,208 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,208 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,208 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,208 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:49,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:49,208 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:49,224 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,225 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,225 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:49,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:49,225 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,225 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:49,225 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:49,225 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:49,225 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,225 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:49,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,226 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,227 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,227 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:49,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:49,227 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:49,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,243 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,243 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:49,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:49,243 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,243 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:49,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,245 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,245 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,245 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:49,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:49,245 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:49,261 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,262 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,262 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:49,262 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:49,262 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,262 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:49,262 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:49,262 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:49,262 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,262 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:49,263 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,264 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,264 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,264 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:49,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:49,264 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:49,280 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,280 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,280 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:49,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:49,280 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,280 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:49,281 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:49,281 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:49,281 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,281 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:49,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,282 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,282 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,282 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:49,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:49,282 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:49,298 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,298 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,298 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:49,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:49,299 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,299 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:49,300 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,300 - INFO - number of orbitals:  89
-2024-12-09 10:29:49,300 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,300 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,300 - INFO - moving on ...
-2024-12-09 10:29:49,300 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:49,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,301 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,301 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,301 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:49,301 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:49,302 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:49,318 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,318 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,318 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:49,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:49,318 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,318 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:49,319 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:49,319 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:49,319 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,319 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:49,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,320 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,320 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,320 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:49,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:49,320 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:49,337 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,337 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,337 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:49,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:49,337 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,337 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:49,339 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,339 - INFO - number of orbitals:  94
-2024-12-09 10:29:49,339 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,339 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,339 - INFO - moving on ...
-2024-12-09 10:29:49,339 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:49,339 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:49,339 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:49,339 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,339 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:49,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,341 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,341 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,341 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:49,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:49,341 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:49,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,357 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,357 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:49,358 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:49,358 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:49,358 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,358 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:49,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,359 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,359 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,359 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:49,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:49,359 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:49,376 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,376 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,376 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:49,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:49,376 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,376 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:49,377 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,378 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,378 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,378 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:29:49,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:29:49,378 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:29:49,394 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,394 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,394 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:29:49,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:29:49,394 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,394 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:49,396 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,396 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,396 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,396 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:49,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:49,396 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:49,412 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,413 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,413 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:49,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:49,413 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,413 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:49,413 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:49,413 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:49,413 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,413 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:49,413 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,413 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,413 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,414 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,415 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,415 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,415 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:49,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:49,415 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:49,432 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,432 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,432 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:49,432 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,432 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,432 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,434 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,434 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,434 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,434 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:49,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:49,434 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:49,451 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,451 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,451 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:49,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,453 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,453 - INFO - number of orbitals:  90
-2024-12-09 10:29:49,453 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,453 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,454 - INFO - moving on ...
-2024-12-09 10:29:49,454 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:49,454 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,454 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,454 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,455 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,455 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,455 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,456 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:49,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:49,456 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:49,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,472 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,472 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:49,473 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,473 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,473 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,475 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,475 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,475 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:49,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:49,475 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:49,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,492 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,492 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:49,492 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,492 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,492 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,494 - INFO - number of orbitals:  90
-2024-12-09 10:29:49,494 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,494 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,494 - INFO - moving on ...
-2024-12-09 10:29:49,494 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:49,494 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:49,494 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:49,494 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,494 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:49,495 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,496 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,496 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,496 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:49,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:49,496 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:49,512 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,512 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,512 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:49,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:49,512 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,512 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:49,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,514 - INFO - number of orbitals:  115
-2024-12-09 10:29:49,514 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:49,514 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:49,514 - INFO - moving on ...
-2024-12-09 10:29:49,514 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:49,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,515 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,516 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,516 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:49,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:49,516 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:49,532 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,532 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,532 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:49,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:49,532 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,532 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:49,532 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:49,532 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:49,532 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,532 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:49,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,534 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,534 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:29:49,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:29:49,534 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:29:49,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,551 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,551 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:29:49,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:29:49,551 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,551 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:49,552 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:49,552 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:49,552 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,552 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:49,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,553 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,553 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,553 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:49,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:49,553 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:49,570 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,570 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,570 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:49,571 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:49,571 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:49,571 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,571 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:49,571 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,571 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,571 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,573 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,573 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:49,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:49,573 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:49,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,589 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,589 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:49,589 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,592 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,592 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:49,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:49,592 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:49,609 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,610 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,610 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:49,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,610 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,610 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,612 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:49,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:49,612 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:49,629 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,629 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,629 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:49,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,631 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,631 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,631 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:49,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:49,632 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:49,649 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,649 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,649 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:49,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,649 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,649 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,651 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,651 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,652 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,652 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:49,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:49,652 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:49,668 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,668 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,668 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:49,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,668 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,668 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,670 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,670 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,671 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,671 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:49,671 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:49,671 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:49,687 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,687 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,687 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:49,688 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:49,688 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:49,688 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,688 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:49,688 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,688 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,688 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,689 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,690 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,690 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,690 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:49,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:49,690 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:49,706 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,707 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,707 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:49,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,707 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,707 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,708 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,709 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,709 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,709 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:49,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:49,709 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:49,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,726 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,726 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:49,726 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,726 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,726 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,728 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,728 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,728 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:49,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:49,728 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:49,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,744 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,744 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:49,745 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:49,745 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:49,745 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,745 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:49,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,746 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,746 - INFO - number of supporting files: 2
-2024-12-09 10:29:49,746 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:29:49,746 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:29:49,746 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:29:49,762 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,762 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,762 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:29:49,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:29:49,763 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:49,763 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:49,763 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:49,763 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:49,763 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:49,763 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:49,763 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,763 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,763 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,765 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,765 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,765 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:49,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:49,766 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:49,782 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,782 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,782 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:49,782 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,783 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,783 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,784 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,785 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,785 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,785 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:49,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:49,785 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:49,801 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,802 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,802 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:49,802 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,802 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,802 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,804 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,804 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,804 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:49,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:49,804 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:49,820 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,820 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,820 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:49,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,821 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,822 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,823 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:49,823 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:49,823 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:49,838 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,839 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,839 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:49,839 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,839 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,839 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,841 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,841 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:49,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:49,841 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:49,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,857 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,858 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:49,858 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,858 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,858 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,860 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,860 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,860 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:49,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:49,860 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:49,876 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,877 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,877 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:49,877 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,877 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,877 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,878 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,879 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,879 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,879 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:49,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:49,879 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:49,895 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,896 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,896 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:49,896 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,896 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,896 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,897 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,898 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,898 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:49,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:49,898 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:49,914 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,914 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,915 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:49,915 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,915 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,915 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,916 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,917 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,917 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,917 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:49,917 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:49,917 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:49,933 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,933 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,933 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:49,933 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,934 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,934 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,935 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,935 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,936 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,936 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:49,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:49,936 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:49,953 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,953 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,953 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:49,953 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,954 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,954 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,956 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,956 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,956 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:49,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:49,956 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:49,973 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,973 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,973 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:49,973 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,973 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,975 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,975 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,976 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:49,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:49,976 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:49,991 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:49,992 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:49,992 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:49,992 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:49,992 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:49,992 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:49,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:49,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:49,994 - INFO - number of supporting files: 1
-2024-12-09 10:29:49,994 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:49,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:49,994 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:50,010 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,010 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,010 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:50,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,012 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,012 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,012 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:50,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:50,012 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:50,029 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,030 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,030 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:50,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,032 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,032 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,032 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:50,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:50,032 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:50,049 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,049 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,049 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:50,049 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,049 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,051 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,051 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,051 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:50,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:50,051 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:50,068 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,069 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,069 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:50,069 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:50,069 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:50,069 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,069 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:50,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,071 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,071 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,071 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:50,071 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:50,071 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:50,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,088 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,089 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:50,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:50,089 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,089 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:50,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,090 - INFO - number of orbitals:  90
-2024-12-09 10:29:50,090 - INFO - too many orbitals!  we are only considering max_num_orbitals 85.
-2024-12-09 10:29:50,090 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,090 - INFO - moving on ...
-2024-12-09 10:29:50,090 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:50,091 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:50,091 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:50,091 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,091 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:50,092 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,092 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,092 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,092 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:50,092 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:50,092 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:50,109 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,109 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,109 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:50,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:50,110 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,110 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:50,111 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,111 - INFO - number of orbitals:  118
-2024-12-09 10:29:50,111 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,111 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,111 - INFO - moving on ...
-2024-12-09 10:29:50,111 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:50,112 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,113 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,113 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,113 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:50,113 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:50,113 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:50,130 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,130 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,130 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:50,130 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:50,130 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,130 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:50,131 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:50,131 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:50,131 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,131 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:50,132 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,132 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,132 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,132 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:50,132 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:50,132 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:50,149 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,149 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,150 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:50,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:50,150 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,150 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:50,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,151 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,151 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:29:50,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:29:50,151 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:29:50,168 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,168 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,168 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:29:50,169 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:29:50,169 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,169 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:50,169 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:50,169 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:50,169 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,169 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:50,170 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,170 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,170 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:50,171 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:50,171 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,187 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,187 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:50,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:50,187 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,188 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:50,188 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:50,188 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:50,188 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,188 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:50,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,190 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,190 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:50,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:50,190 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:50,207 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,207 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,207 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:50,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,207 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,207 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,209 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,209 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,209 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:50,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:50,209 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:50,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,225 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,226 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:50,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,228 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,228 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,228 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:50,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:50,228 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,244 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,244 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:50,244 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,244 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,244 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,246 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,247 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,247 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:50,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:50,247 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,267 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,268 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,268 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:50,268 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,268 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,268 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,270 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,271 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,271 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,271 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:50,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:50,271 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:50,293 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,293 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,293 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:50,294 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,294 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,294 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,295 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,297 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,297 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:50,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:50,297 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:50,318 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,318 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,318 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:50,318 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,319 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,319 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,321 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,321 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,321 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:50,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:50,322 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:50,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,344 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,344 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:50,344 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,344 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,344 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,347 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,347 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,347 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:50,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:50,347 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:50,367 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,368 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,368 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:50,368 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,368 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,368 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,370 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,370 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,370 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:50,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:50,370 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:50,387 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,387 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,387 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:50,387 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,387 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,387 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,389 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,389 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,389 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,389 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:50,389 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:50,389 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:50,406 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,406 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,406 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:50,406 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,406 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,406 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,408 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,408 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,408 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,408 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:50,408 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:50,408 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,425 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,425 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,425 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:50,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,426 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,427 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,428 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,428 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:50,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:50,428 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:50,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,445 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,445 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:50,445 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:50,445 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:50,445 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,445 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:50,445 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,445 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,445 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,447 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,447 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,447 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:50,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:50,448 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:50,464 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,464 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,464 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:50,465 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,465 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,465 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,466 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,467 - INFO - number of orbitals:  108
-2024-12-09 10:29:50,467 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,467 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,467 - INFO - moving on ...
-2024-12-09 10:29:50,467 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:50,467 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:50,467 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:50,467 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,467 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:50,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,469 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,469 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:50,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:50,469 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:50,485 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,485 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,485 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:50,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:50,486 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,486 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:50,487 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,487 - INFO - number of orbitals:  135
-2024-12-09 10:29:50,487 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,487 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,487 - INFO - moving on ...
-2024-12-09 10:29:50,487 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:50,488 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,488 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,488 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,488 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:29:50,488 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:29:50,488 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:29:50,504 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,505 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,505 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:29:50,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:29:50,505 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,505 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:50,505 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:50,505 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:50,505 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,505 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:50,506 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,507 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,507 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,507 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:50,507 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:50,507 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:50,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,524 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,524 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:50,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:50,524 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,524 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:50,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,525 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,525 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,525 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:29:50,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:29:50,525 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:29:50,541 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,542 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,542 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:29:50,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:29:50,542 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,542 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:50,542 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:50,542 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:50,542 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,542 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:50,543 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,544 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,544 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:50,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:50,544 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:50,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,562 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,562 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:50,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:50,562 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,562 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:50,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,564 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,564 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,564 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:29:50,564 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:29:50,564 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:29:50,580 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,581 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,581 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:29:50,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:29:50,581 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,581 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:50,581 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:50,581 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:50,581 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,581 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:50,583 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,583 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,583 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,583 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:50,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:50,583 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:50,600 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,600 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,601 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:50,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:50,601 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,601 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:50,601 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:50,601 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:50,601 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,601 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:50,602 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,603 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,603 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,603 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:50,603 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:50,603 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:50,620 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,620 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,620 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:50,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:50,620 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,620 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:50,620 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:50,621 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:50,621 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,621 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:50,622 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,622 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,622 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,622 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:50,622 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:50,622 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:50,639 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,640 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,640 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:50,640 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:50,640 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,640 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:50,641 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,642 - INFO - number of orbitals:  118
-2024-12-09 10:29:50,642 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,642 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,642 - INFO - moving on ...
-2024-12-09 10:29:50,642 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:50,643 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,643 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,643 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,643 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:50,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:50,643 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:50,660 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,660 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,660 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:50,660 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:50,660 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,660 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:50,661 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:50,661 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:50,661 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,661 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:50,661 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,663 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,663 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,663 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:50,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:50,663 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,679 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,679 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,679 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:50,679 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,679 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,679 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,681 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,681 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,681 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,681 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:50,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:50,681 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:50,697 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,698 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,698 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:50,698 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,698 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,698 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,699 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,700 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,700 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,700 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:50,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:50,700 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:50,717 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,717 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,717 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:50,717 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,719 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,720 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,720 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:50,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:50,720 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:50,736 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,736 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,736 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:50,736 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,736 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,736 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,738 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,738 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,738 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:50,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:50,738 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:50,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,755 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,755 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:50,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,757 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,757 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,757 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:50,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:50,757 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:50,772 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,772 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,772 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:50,773 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,773 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,773 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,774 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,774 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,775 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,775 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:50,775 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:50,775 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:50,791 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,791 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,791 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:50,791 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:50,792 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:50,792 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:50,793 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,793 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,794 - INFO - number of supporting files: 1
-2024-12-09 10:29:50,794 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:50,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:50,794 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:50,810 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,810 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,811 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:50,811 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:50,811 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:50,811 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,811 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:50,812 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,812 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,812 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,812 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:50,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:50,812 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:50,828 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,829 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,829 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:50,829 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:50,829 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,829 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:50,829 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:50,829 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:50,829 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,829 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:50,830 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,830 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,831 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,831 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:50,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:50,831 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:50,847 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,848 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,848 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:50,848 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:50,848 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,848 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:50,849 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,850 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,850 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,850 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:50,850 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:50,850 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:50,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,867 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,867 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:50,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:50,867 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,867 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:50,867 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:50,867 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:50,867 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,867 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:50,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,869 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,869 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,869 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:50,869 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:50,869 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:50,886 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,886 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,886 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:50,886 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:50,886 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,886 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:50,888 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,888 - INFO - number of orbitals:  119
-2024-12-09 10:29:50,888 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,888 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,888 - INFO - moving on ...
-2024-12-09 10:29:50,888 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:50,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,889 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,889 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,889 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:50,889 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:50,889 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:50,906 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,906 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,907 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:50,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:50,907 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,907 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:50,907 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:50,907 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:50,907 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,907 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:50,908 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,908 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,909 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,909 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:50,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:50,909 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:50,924 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,925 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,925 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:50,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:50,925 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,925 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:50,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,926 - INFO - number of orbitals:  135
-2024-12-09 10:29:50,926 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,926 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,926 - INFO - moving on ...
-2024-12-09 10:29:50,926 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:50,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,927 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,928 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:29:50,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:29:50,928 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:29:50,943 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,943 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,943 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:29:50,944 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:29:50,944 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,944 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:50,944 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:50,944 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:50,944 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,944 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:50,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,945 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,945 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:50,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:50,946 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:50,962 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,962 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,962 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:50,962 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:50,962 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,962 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:50,963 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,964 - INFO - number of orbitals:  118
-2024-12-09 10:29:50,964 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:50,964 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:50,964 - INFO - moving on ...
-2024-12-09 10:29:50,964 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:50,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,965 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,965 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:50,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:50,965 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:50,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:50,981 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:50,981 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:50,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:50,981 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:50,981 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:50,982 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:50,982 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:50,982 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:50,982 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:50,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:50,983 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:50,983 - INFO - number of supporting files: 2
-2024-12-09 10:29:50,984 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:50,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:50,984 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:51,000 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,001 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,001 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:51,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:51,001 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,001 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:51,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,002 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,002 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,003 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:29:51,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:29:51,003 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:29:51,019 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,019 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,019 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:29:51,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:29:51,019 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,019 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:51,020 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:51,020 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:51,020 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,020 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:51,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,021 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,021 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,021 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:51,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:51,021 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:51,038 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,038 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,038 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:51,038 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:51,038 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,038 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:51,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,040 - INFO - number of orbitals:  110
-2024-12-09 10:29:51,040 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:51,040 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:51,040 - INFO - moving on ...
-2024-12-09 10:29:51,040 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:51,041 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,041 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,042 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,042 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:51,042 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:51,042 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:51,058 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,058 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,059 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:51,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:51,059 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,059 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:51,059 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:51,059 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:51,059 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,059 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:51,060 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,061 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,061 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,061 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:51,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:51,061 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:51,077 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,078 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,078 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:51,078 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:51,078 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,078 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:51,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,079 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,079 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 10:29:51,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 10:29:51,080 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 10:29:51,096 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,096 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,096 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 10:29:51,097 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 10:29:51,097 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,097 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:51,097 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:51,097 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:51,097 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,097 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:51,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,098 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,098 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:51,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:51,099 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:51,115 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,115 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,115 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:51,116 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:51,116 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:51,116 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,116 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:51,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,117 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,117 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,117 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:51,117 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:51,118 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:51,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,135 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,135 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:51,135 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:51,135 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,135 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:51,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,137 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,137 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,137 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 10:29:51,137 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 10:29:51,137 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 10:29:51,153 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,154 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,154 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 10:29:51,154 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 10:29:51,154 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,154 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:51,154 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:51,154 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:51,154 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,154 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:51,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,156 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,156 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,156 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:51,156 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:51,156 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:51,173 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,173 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,174 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:51,174 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:51,174 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:51,174 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,174 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:51,174 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,174 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,174 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,176 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,176 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,176 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:51,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:51,176 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:51,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,194 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,194 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:51,194 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,194 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,194 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,196 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,197 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,197 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,197 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:51,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:51,197 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:51,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,215 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,215 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:51,215 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,215 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,215 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,217 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,217 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,217 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:51,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:51,217 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:51,234 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,234 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,235 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:51,235 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,235 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,235 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,237 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,237 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:51,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:51,237 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:51,254 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,254 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,254 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:51,255 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:51,255 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:51,255 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,255 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:51,256 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,256 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,257 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,257 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:51,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:51,257 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:51,274 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,274 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,274 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:51,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:51,275 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,275 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:51,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,276 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,276 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,276 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:29:51,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:29:51,276 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:29:51,293 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,294 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,294 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:29:51,294 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:29:51,294 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,294 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:51,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,296 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,296 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,296 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:51,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:51,296 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:51,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,314 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,314 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:51,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:51,314 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,314 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:51,314 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:51,314 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:51,314 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,314 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:51,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,316 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,316 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:51,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:51,316 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:51,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,333 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,333 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:51,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:51,333 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,333 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:51,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,335 - INFO - number of orbitals:  110
-2024-12-09 10:29:51,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:51,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:51,335 - INFO - moving on ...
-2024-12-09 10:29:51,335 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:51,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,336 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,337 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,337 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:51,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:51,337 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:51,354 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,354 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,354 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:51,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:51,354 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,354 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:51,354 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:51,354 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:51,354 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,355 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:51,356 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,356 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,356 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:51,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:51,356 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:51,374 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,374 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,374 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:51,374 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:51,374 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,374 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:51,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,376 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,376 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,376 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:29:51,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:29:51,376 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:29:51,393 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,394 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,394 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:29:51,394 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:29:51,394 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,394 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:51,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,396 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,396 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,396 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:51,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:51,396 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:51,418 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,419 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,419 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:51,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:51,419 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,419 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:51,419 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:51,419 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:51,419 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,419 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:51,421 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,421 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,422 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,422 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:51,422 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:51,422 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:51,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,448 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,448 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:51,448 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:51,448 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,448 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:51,450 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,450 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,450 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,450 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 10:29:51,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 10:29:51,450 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 10:29:51,475 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,476 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,476 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 10:29:51,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 10:29:51,476 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:51,476 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:51,476 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:51,476 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,476 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:51,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,478 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,478 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,478 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:51,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:51,479 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:51,499 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,500 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,500 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:51,500 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:51,500 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:51,500 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,500 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:51,500 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,500 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,500 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,502 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,502 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,502 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:51,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:51,503 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:51,523 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,523 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,524 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:51,524 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,524 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,524 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,526 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,527 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,527 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,527 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:51,527 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:51,527 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:51,543 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,543 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,544 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:51,544 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,544 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,544 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,545 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,546 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,546 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,546 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:51,546 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:51,546 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:51,563 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,563 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,563 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:51,563 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,563 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,564 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,565 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,565 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,565 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,566 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:51,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:51,566 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:51,582 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,583 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,583 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:51,583 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,583 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,583 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,584 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,585 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,585 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,585 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:51,585 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:51,585 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:51,602 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,602 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,602 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:51,602 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,603 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,603 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,604 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,604 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,605 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,605 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:51,605 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:51,605 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:51,621 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,621 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,621 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:51,621 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,622 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,622 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,623 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,624 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,624 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,624 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:51,624 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:51,624 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:51,640 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,641 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,641 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:51,641 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,641 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,641 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,642 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,643 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,643 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,643 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:51,643 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:51,643 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:51,660 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,660 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,660 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:51,660 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,661 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,661 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,662 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,662 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,663 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,663 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:51,663 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:51,663 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:51,680 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,680 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,680 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:51,681 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:51,681 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:51,681 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,681 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:51,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,682 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,682 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,682 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:51,682 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:51,682 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:51,699 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,700 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,700 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:51,700 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:51,700 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,700 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:51,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,701 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,701 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,701 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 10:29:51,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 10:29:51,701 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 10:29:51,718 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,718 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,718 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 10:29:51,718 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 10:29:51,718 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,718 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:51,718 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:51,719 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:51,719 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,719 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:51,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,720 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,720 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,720 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:51,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:51,720 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:51,737 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,738 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,738 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:51,738 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:51,738 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,738 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:51,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,739 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,739 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,739 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:51,739 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:51,739 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:51,756 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,756 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,756 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:51,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:51,756 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,757 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:51,757 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:51,757 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:51,757 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,757 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:51,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,758 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,758 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,758 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:51,758 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:51,758 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:51,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,776 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,776 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:51,776 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:51,776 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:51,776 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,776 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:51,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,778 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,778 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,778 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:51,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:51,778 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:51,795 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,796 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,796 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:51,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:51,796 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,796 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:51,796 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:51,796 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:51,796 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,796 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:51,798 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,798 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,798 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,798 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:51,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:51,798 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:51,815 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,815 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,815 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:51,815 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:51,815 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,815 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:51,817 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,817 - INFO - number of orbitals:  116
-2024-12-09 10:29:51,817 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:51,817 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:51,817 - INFO - moving on ...
-2024-12-09 10:29:51,817 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:51,817 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:51,818 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:51,818 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,818 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:51,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,819 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,819 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,819 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:51,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:51,819 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:51,836 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,836 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,836 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:51,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:51,837 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,837 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:51,838 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,838 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,838 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,838 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:51,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:51,838 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:51,854 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,855 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,855 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:51,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:51,855 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,855 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:51,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,857 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,857 - INFO - number of supporting files: 2
-2024-12-09 10:29:51,857 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:51,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:51,857 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:51,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,874 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,874 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:51,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:51,874 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:51,874 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:51,874 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:51,874 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:51,874 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:51,874 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:51,874 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,874 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,874 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,876 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,876 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,876 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:51,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:51,876 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:51,893 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,893 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,893 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:51,893 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,893 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,893 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,894 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,895 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,895 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,895 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:51,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:51,895 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:51,912 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,912 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,912 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:51,912 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,912 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,912 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,914 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,914 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,914 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:51,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:51,914 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:51,930 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,931 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,931 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:51,931 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,931 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,931 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,933 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,933 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,933 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:51,933 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:51,933 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:29:51,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,950 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,951 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:51,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,953 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,953 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,953 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:51,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:51,953 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:51,969 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,970 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,970 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:51,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,972 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,972 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:51,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:51,972 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:51,989 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:51,989 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:51,990 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:51,990 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:51,990 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:51,990 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:51,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:51,992 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:51,992 - INFO - number of supporting files: 1
-2024-12-09 10:29:51,992 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:51,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:51,992 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:52,009 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,009 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,009 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:52,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,012 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,012 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,012 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:29:52,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:29:52,012 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:29:52,028 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,029 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,029 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:52,029 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,029 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,029 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,031 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,031 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:52,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:52,031 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:52,047 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,048 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,048 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:52,048 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,048 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,048 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,050 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,050 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,050 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:52,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:52,050 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:52,066 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,067 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,067 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:52,067 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,067 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,067 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,069 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,069 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,069 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:52,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:52,069 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:52,086 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,086 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,086 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:52,086 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,086 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,086 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,088 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,088 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,088 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:29:52,088 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:29:52,088 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:29:52,105 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,105 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,106 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:52,106 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:52,106 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:52,106 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,106 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:52,107 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,108 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,108 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,108 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:52,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:52,108 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:52,125 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,125 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,125 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:52,125 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:52,125 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,125 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:52,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,127 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,127 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,127 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:52,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:52,127 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:52,143 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,144 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,144 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:52,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:52,144 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,144 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:52,145 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,145 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,145 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:52,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:52,146 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:52,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,163 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,163 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:52,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:52,163 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,163 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:52,164 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:52,164 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:52,164 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,164 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:52,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,165 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,165 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:52,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:52,165 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:52,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,182 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,182 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:52,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:52,182 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,182 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:52,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,184 - INFO - number of orbitals:  110
-2024-12-09 10:29:52,184 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,184 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,184 - INFO - moving on ...
-2024-12-09 10:29:52,184 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:52,185 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,185 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,185 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,185 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:52,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:52,185 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:52,202 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,202 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,202 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:52,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:52,202 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,202 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:52,203 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:52,203 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:52,203 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,203 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:52,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,204 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,204 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:52,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:52,204 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:52,220 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,221 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,221 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:52,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:52,221 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,221 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:52,222 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,222 - INFO - number of orbitals:  110
-2024-12-09 10:29:52,222 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,223 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,223 - INFO - moving on ...
-2024-12-09 10:29:52,223 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:52,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,224 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,224 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,224 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:52,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:52,224 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:52,240 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,240 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,241 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:52,241 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:52,241 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,241 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:52,241 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:52,241 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:52,241 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,241 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:52,241 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,241 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,241 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,243 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,244 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,244 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:52,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:52,244 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:52,260 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,261 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,261 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:52,261 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,261 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,261 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,263 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,263 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,263 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:52,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:52,263 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:52,280 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,281 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,281 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:52,281 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,281 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,281 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,283 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,283 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,283 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:52,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:52,283 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:52,300 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,300 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,301 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:52,301 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,301 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,301 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,302 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,303 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,303 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,303 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:52,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:52,303 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:52,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,319 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,319 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:52,319 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,320 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,320 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,321 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,322 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,322 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:52,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:52,322 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:52,338 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,338 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,338 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:52,339 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,339 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,339 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,341 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,341 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,341 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:52,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:52,341 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:52,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,358 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,358 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:52,358 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,358 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,358 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,360 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,360 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,360 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:52,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:52,360 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:52,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,377 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,377 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:52,377 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,377 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,378 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,379 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,379 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,379 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:52,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:52,380 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:52,396 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,396 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,396 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:52,396 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:52,396 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:52,396 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:52,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,398 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,398 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,398 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:52,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:52,398 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:52,415 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,416 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,416 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:52,416 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:52,416 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:52,416 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,416 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:52,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,418 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,418 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,418 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:52,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:52,418 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:52,435 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,435 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,435 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:52,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:52,435 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,435 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:52,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,437 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,437 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,437 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 10:29:52,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 10:29:52,437 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 10:29:52,456 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,457 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,457 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 10:29:52,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 10:29:52,457 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,457 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:52,457 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:52,457 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:52,457 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,457 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:52,459 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,459 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,459 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,459 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:29:52,459 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:29:52,459 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:29:52,476 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,476 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,476 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:29:52,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:29:52,476 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,476 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:52,476 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:52,476 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:52,477 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,477 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:52,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,478 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,478 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,478 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:52,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:52,478 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:52,495 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,496 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,496 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:52,496 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:52,496 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:52,496 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,496 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:52,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,498 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,498 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,498 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:52,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:52,498 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:52,515 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,515 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,515 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:52,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:52,516 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,516 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:52,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,517 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,517 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:52,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:52,517 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:52,534 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,534 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,534 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:52,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:52,535 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,535 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:52,535 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:52,535 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:52,535 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,535 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:52,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,536 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,536 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,536 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:52,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:52,536 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:52,553 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,553 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,553 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:52,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:52,553 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,553 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:52,554 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,555 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,555 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,555 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 10:29:52,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 10:29:52,555 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 10:29:52,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,572 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,572 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 10:29:52,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 10:29:52,572 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,572 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:52,572 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:52,572 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:52,572 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,572 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:52,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,574 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,574 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,574 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:52,574 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:52,574 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:52,590 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,590 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,590 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:52,591 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:52,591 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:52,591 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,591 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:52,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,592 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,592 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:52,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:52,592 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:52,608 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,609 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,609 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:52,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:52,609 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,609 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:52,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,611 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,611 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,611 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 10:29:52,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 10:29:52,611 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 10:29:52,628 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,628 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,628 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 10:29:52,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 10:29:52,628 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,628 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:52,628 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:52,628 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:52,628 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,628 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:52,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,630 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,630 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,630 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:52,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:52,630 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:52,647 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,647 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,647 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:52,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:52,647 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,647 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:52,648 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,649 - INFO - number of orbitals:  106
-2024-12-09 10:29:52,649 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,649 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,649 - INFO - moving on ...
-2024-12-09 10:29:52,649 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:52,649 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:52,649 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:52,649 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,649 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:52,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,650 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,650 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:52,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:52,651 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:52,666 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,666 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,666 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:52,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:52,667 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,667 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:52,668 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,668 - INFO - number of orbitals:  118
-2024-12-09 10:29:52,668 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,668 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,668 - INFO - moving on ...
-2024-12-09 10:29:52,668 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:52,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,669 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,669 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,669 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:52,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:52,669 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:52,686 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,686 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,686 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:52,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:52,686 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,686 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:52,687 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:52,687 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:52,687 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,687 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:52,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,688 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,688 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,688 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:52,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:52,689 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:52,706 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,706 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,706 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:52,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:52,706 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,706 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:52,707 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,708 - INFO - number of orbitals:  114
-2024-12-09 10:29:52,708 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,708 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,708 - INFO - moving on ...
-2024-12-09 10:29:52,708 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:52,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,709 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,709 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,709 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:52,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:52,709 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:52,725 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,726 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,726 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:52,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:52,726 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,726 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:52,726 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:52,726 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:52,726 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,726 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:52,727 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,728 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,728 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,728 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:52,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:52,728 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:52,744 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,745 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,745 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:52,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:52,745 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,745 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:52,746 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,746 - INFO - number of orbitals:  115
-2024-12-09 10:29:52,746 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:52,746 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:52,746 - INFO - moving on ...
-2024-12-09 10:29:52,746 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:52,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,748 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,748 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,748 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:52,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:52,748 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:52,763 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,764 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,764 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:52,764 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:52,764 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,764 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:52,764 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:52,764 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:52,764 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,764 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:52,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,765 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,766 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,766 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:52,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:52,766 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:52,781 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,782 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,782 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:52,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:52,782 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,782 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:52,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,783 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,784 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,784 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:29:52,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:29:52,784 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:29:52,800 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,800 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,800 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:29:52,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:29:52,800 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,800 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:52,800 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:52,800 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:52,801 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,801 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:52,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,802 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,802 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,802 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:52,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:52,802 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:52,818 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,819 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,819 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:52,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:52,819 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,819 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:52,819 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:52,819 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:52,819 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,819 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:52,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,821 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,821 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,821 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:52,821 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:52,821 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:52,837 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,838 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,838 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:52,838 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:52,838 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:52,838 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,838 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:52,839 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,839 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,839 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,839 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:52,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:52,839 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:52,855 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,855 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,855 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:52,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:52,855 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,855 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:52,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,856 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,857 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,857 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 10:29:52,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 10:29:52,857 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 10:29:52,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,873 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,873 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 10:29:52,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 10:29:52,873 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,873 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:52,874 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:52,874 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:52,874 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,874 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:52,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,875 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,875 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:52,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:52,875 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:52,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,892 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,892 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:52,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:52,892 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,892 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:52,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,893 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,893 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,893 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 10:29:52,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 10:29:52,893 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 10:29:52,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,909 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,909 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 10:29:52,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 10:29:52,910 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,910 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:52,910 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:52,910 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:52,910 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,910 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:52,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,911 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,911 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:52,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:52,911 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:52,927 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,928 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,928 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:52,928 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:52,928 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:52,928 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,928 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:52,929 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,930 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,930 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:52,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:52,930 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:52,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,947 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,947 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:52,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:52,947 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,947 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:52,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,949 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,949 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 10:29:52,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 10:29:52,949 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 10:29:52,965 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,965 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,965 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 10:29:52,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 10:29:52,965 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,965 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:52,965 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:52,965 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:52,966 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,966 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:52,967 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,967 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,967 - INFO - number of supporting files: 2
-2024-12-09 10:29:52,967 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:29:52,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:29:52,968 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:29:52,985 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:52,985 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:29:52,985 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:29:52,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:29:52,985 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:52,985 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:52,985 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:52,986 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:52,986 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:52,986 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:52,987 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:52,987 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:52,987 - INFO - number of supporting files: 1
-2024-12-09 10:29:52,987 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:52,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:52,987 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:53,003 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,003 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,004 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:53,004 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:53,004 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:53,004 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,004 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:53,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,005 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,005 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,005 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:53,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:53,006 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:53,022 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,023 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,023 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:53,023 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:53,023 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,023 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:53,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,024 - INFO - number of orbitals:  116
-2024-12-09 10:29:53,024 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,024 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,024 - INFO - moving on ...
-2024-12-09 10:29:53,025 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:53,025 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:53,025 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:53,025 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,025 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:53,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,026 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,026 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,026 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:53,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:53,026 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:53,042 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,043 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,043 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:53,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:53,043 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,043 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:53,044 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,045 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,045 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 10:29:53,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 10:29:53,045 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 10:29:53,061 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,062 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,062 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 10:29:53,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 10:29:53,062 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,062 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:53,062 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:53,062 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:53,062 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,062 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:53,063 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,063 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,064 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,064 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:53,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:53,064 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:53,080 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,080 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,080 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:53,080 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:53,080 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,080 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:53,082 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,082 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,082 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,082 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 10:29:53,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 10:29:53,082 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 10:29:53,099 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,099 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,099 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 10:29:53,099 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 10:29:53,099 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,099 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:53,099 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:53,099 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:53,099 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,100 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:53,101 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,101 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,101 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,101 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:53,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:53,101 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:53,118 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,118 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,118 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:53,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:53,118 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,118 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:53,120 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,120 - INFO - number of orbitals:  110
-2024-12-09 10:29:53,120 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,120 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,120 - INFO - moving on ...
-2024-12-09 10:29:53,120 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:53,121 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,121 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,121 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,121 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:53,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:53,121 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:53,137 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,138 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,138 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:53,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:53,138 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,138 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:53,138 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:53,138 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:53,138 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,138 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:53,140 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,140 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,140 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,140 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:53,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:53,140 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:53,156 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,156 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,157 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:53,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:53,157 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,157 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:53,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,158 - INFO - number of orbitals:  135
-2024-12-09 10:29:53,158 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,158 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,158 - INFO - moving on ...
-2024-12-09 10:29:53,158 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:53,159 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,160 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,160 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 10:29:53,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 10:29:53,160 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,176 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,176 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,176 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 10:29:53,176 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 10:29:53,176 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,176 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:53,177 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:53,177 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:53,177 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,177 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:53,178 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,178 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,178 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,178 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:53,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:53,178 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:53,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,195 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,195 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:53,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:53,195 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,196 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:53,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,197 - INFO - number of orbitals:  119
-2024-12-09 10:29:53,197 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,197 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,197 - INFO - moving on ...
-2024-12-09 10:29:53,197 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:53,198 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,199 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,199 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,199 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:53,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:53,199 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:53,215 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,216 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,216 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:53,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:53,216 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,216 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:53,216 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:53,216 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:53,216 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,216 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:53,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,218 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,218 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:53,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:53,218 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:53,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,235 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,235 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:53,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:53,235 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,235 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:53,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,237 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,237 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:53,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:53,237 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:53,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,253 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,253 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:53,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:53,253 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,253 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:53,254 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:53,254 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:53,254 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,254 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:53,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,255 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,255 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:53,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:53,255 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:53,271 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,272 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,272 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:53,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:53,272 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,272 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:53,272 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:53,272 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:53,272 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,272 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:53,273 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,274 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,274 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,274 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:53,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:53,274 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:53,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,290 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,290 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:53,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:53,290 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,290 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:53,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,292 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,292 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 10:29:53,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 10:29:53,292 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 10:29:53,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,309 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,309 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 10:29:53,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 10:29:53,309 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,309 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:53,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,310 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,310 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,310 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:53,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:53,311 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,326 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,327 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,327 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:53,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:53,327 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,327 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:53,327 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:53,327 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:53,327 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,327 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:53,328 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,329 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,329 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,329 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:53,329 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:53,329 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:53,345 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,345 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,346 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:53,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:53,346 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,346 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:53,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,347 - INFO - number of orbitals:  94
-2024-12-09 10:29:53,347 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,347 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,347 - INFO - moving on ...
-2024-12-09 10:29:53,347 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:53,347 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:53,348 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:53,348 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,348 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:53,349 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,349 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,349 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,349 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:53,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:53,349 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:53,365 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,366 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,366 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:53,366 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:53,366 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:53,366 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,366 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:53,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,367 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,368 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,368 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:53,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:53,368 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:53,384 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,384 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,384 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:53,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:53,384 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,384 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:53,386 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,386 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,386 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,386 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:29:53,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:29:53,386 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:29:53,402 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,403 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,403 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:29:53,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:29:53,403 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,403 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:53,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,404 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,404 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,404 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:53,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:53,404 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:53,422 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,422 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,423 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:53,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:53,423 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,423 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:53,423 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:53,423 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:53,423 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,423 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:53,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,424 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,424 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,426 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,426 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,426 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:53,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:53,426 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:53,443 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,443 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,443 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:53,443 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,444 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,444 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,445 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,446 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,446 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,446 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:53,446 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:53,446 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:53,463 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,463 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,463 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:53,464 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,464 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,464 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,466 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,466 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,466 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 10:29:53,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 10:29:53,466 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,483 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,483 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,483 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:53,483 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,483 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,483 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,485 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,485 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:53,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:53,485 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:53,502 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,502 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,502 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:53,502 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,502 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,502 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,504 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,504 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,504 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:53,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:53,505 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:53,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,521 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,521 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:53,521 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,521 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,521 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,523 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,523 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,523 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 10:29:53,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 10:29:53,523 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 10:29:53,540 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,540 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,540 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:53,540 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:53,540 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:53,540 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,540 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:53,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,542 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,542 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,542 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:53,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:53,542 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:53,558 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,559 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,559 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:53,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:53,559 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,559 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:53,560 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,560 - INFO - number of orbitals:  115
-2024-12-09 10:29:53,560 - INFO - too many orbitals!  we are only considering max_num_orbitals 90.
-2024-12-09 10:29:53,560 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:53,560 - INFO - moving on ...
-2024-12-09 10:29:53,560 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:53,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,562 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,562 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:53,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:53,562 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:53,578 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,578 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,578 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:53,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:53,578 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,579 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:53,579 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:53,579 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:53,579 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,579 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:53,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,580 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,580 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,580 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:29:53,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:29:53,580 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:29:53,596 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,596 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,596 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:29:53,596 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:29:53,596 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,596 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:53,597 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:53,597 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:53,597 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,597 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:53,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,598 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,598 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,598 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:53,598 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:53,598 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:53,614 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,614 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,614 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:53,615 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:53,615 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:53,615 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,615 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:53,615 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,615 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,615 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,616 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,617 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,617 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,617 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:53,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:53,617 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:53,633 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,634 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,634 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:53,634 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,634 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,634 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,636 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,636 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,636 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:53,636 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:53,636 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:53,653 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,653 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,653 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:53,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,654 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,654 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,655 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,656 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,656 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,656 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:53,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:53,656 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:53,673 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,674 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,674 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:53,674 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,674 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,674 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,676 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,676 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,676 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:53,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:53,676 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:53,692 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,693 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,693 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:53,693 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,693 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,693 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,695 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,695 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,695 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:53,695 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:53,695 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:53,712 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,712 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,713 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:53,713 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,713 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,713 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,714 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,715 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,715 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:53,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:53,715 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:53,732 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,732 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,732 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:53,732 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:53,733 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:53,733 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,733 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:53,733 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,733 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,733 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,734 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,735 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,735 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:53,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:53,735 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,753 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,753 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,753 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:53,753 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,753 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,753 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,755 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,755 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,756 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,756 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:53,756 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:53,756 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:53,774 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,774 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,774 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:53,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,778 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,778 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:53,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:53,778 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:53,798 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,799 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,799 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:53,799 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:53,799 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:53,799 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,799 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:53,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,801 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,801 - INFO - number of supporting files: 2
-2024-12-09 10:29:53,801 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:29:53,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:29:53,801 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:29:53,818 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,819 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,819 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:29:53,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:29:53,819 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:53,819 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:53,819 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:53,819 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:53,820 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:53,820 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:53,820 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,820 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,820 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,822 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,822 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:53,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:53,822 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:53,844 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,844 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,845 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:53,845 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,845 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,847 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,847 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,847 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:53,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:53,848 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:53,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,872 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,872 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:53,872 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,872 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,872 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,875 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,875 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:53,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:53,875 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:53,893 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,894 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,894 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:53,894 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,894 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,894 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,897 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,897 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,897 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:53,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:53,897 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:53,916 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,917 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,917 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:53,917 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,919 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,919 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,919 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:53,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:53,919 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:53,935 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,935 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,935 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:53,935 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,936 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,936 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,938 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,938 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,938 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:53,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:53,938 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:53,956 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,957 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,957 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:53,957 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,957 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,957 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,959 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,959 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,960 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,960 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:53,960 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:53,960 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:53,979 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,979 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,979 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:53,979 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:53,979 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:53,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:53,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:53,982 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:53,982 - INFO - number of supporting files: 1
-2024-12-09 10:29:53,982 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:53,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:53,982 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:53,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:53,999 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:53,999 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:53,999 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,000 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,000 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,002 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,002 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,002 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:54,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:54,002 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:54,019 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,019 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,019 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:54,019 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,020 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,020 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,021 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,022 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,022 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,022 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:54,022 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:54,022 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:54,038 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,039 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,039 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:54,039 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,039 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,039 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,040 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,041 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,041 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,041 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:54,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:54,041 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:54,058 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,059 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,059 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:54,059 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,059 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,059 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,061 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,061 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,061 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,061 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:54,062 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:54,062 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:54,079 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,079 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,079 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:54,079 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,079 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,080 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,081 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,081 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,081 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,082 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:54,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:54,082 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:54,098 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,098 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,098 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:54,098 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,099 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,099 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,100 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,100 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,101 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,101 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:54,101 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:54,101 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:54,117 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,117 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,117 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:54,117 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,117 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,119 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,119 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,120 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:54,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:54,120 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:54,137 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,137 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,137 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:54,137 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,137 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,137 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,139 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,139 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,139 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,139 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:54,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:54,139 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:54,156 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,156 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,156 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:54,157 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:54,157 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:54,157 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,157 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:54,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,159 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,159 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,159 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:54,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:54,159 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:54,175 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,175 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,175 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:54,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:54,175 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,175 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:54,176 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,177 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,177 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,177 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 10:29:54,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 10:29:54,177 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 10:29:54,193 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,194 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,194 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 10:29:54,194 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 10:29:54,194 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,194 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:54,194 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:54,194 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:54,194 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,194 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:54,195 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,196 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,196 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,196 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:54,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:54,196 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:54,212 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,212 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,213 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:54,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:54,213 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,213 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:54,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,214 - INFO - number of orbitals:  118
-2024-12-09 10:29:54,214 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:54,214 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:54,214 - INFO - moving on ...
-2024-12-09 10:29:54,214 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:54,215 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,215 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,216 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,216 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:54,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:54,216 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:54,232 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,233 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,233 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:54,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:54,233 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,233 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:54,233 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:54,233 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:54,233 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,233 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:54,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,235 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,235 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,235 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:54,235 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:54,235 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:54,252 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,253 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,253 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:54,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:54,253 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,253 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:54,254 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,255 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,255 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:29:54,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:29:54,255 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:29:54,273 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,274 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,274 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:29:54,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:29:54,274 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,274 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:54,274 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:54,274 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:54,274 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,274 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:54,276 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,276 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,277 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,277 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:54,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:54,277 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,300 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,300 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:54,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:54,300 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,300 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:54,301 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:54,301 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:54,301 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,301 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:54,301 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,301 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,301 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,304 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,304 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,304 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:54,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:54,304 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:54,321 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,322 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,322 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:54,322 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,322 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,322 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,324 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,324 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,325 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:54,325 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:54,325 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:54,341 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,342 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,342 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:54,342 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,342 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,342 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,344 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,344 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,344 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:54,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:54,344 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,361 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,361 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,361 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:54,361 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,361 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,362 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,363 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,364 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,364 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:54,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:54,364 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,387 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,387 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,387 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:54,388 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,388 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,388 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,391 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,391 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:54,391 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:54,391 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:54,410 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,410 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,410 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:54,410 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,411 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,411 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,412 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,413 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,413 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,413 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:54,413 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:54,413 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:54,431 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,431 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,431 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:54,431 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,431 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,431 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,433 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,433 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,433 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,433 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:54,433 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:54,434 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:54,450 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,451 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,451 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:54,451 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,451 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,451 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,453 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,453 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:54,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:54,453 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:54,471 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,471 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,471 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:54,471 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,473 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,474 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,474 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,474 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:54,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:54,474 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:54,490 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,490 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,490 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:54,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,492 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,493 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,493 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,493 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:54,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:54,493 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:54,509 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,510 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,510 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:54,510 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,510 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,510 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,511 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,512 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,512 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,512 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:54,512 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:54,512 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,529 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,529 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,529 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:54,529 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,529 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,529 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,531 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,531 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,531 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:54,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:54,532 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:54,548 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,548 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,548 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:54,549 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:54,549 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:54,549 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,549 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:54,549 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,549 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,549 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,551 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,551 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,551 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:54,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:54,551 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:54,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,567 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,568 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:54,568 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,568 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,568 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,569 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,570 - INFO - number of orbitals:  108
-2024-12-09 10:29:54,570 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:54,570 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:54,570 - INFO - moving on ...
-2024-12-09 10:29:54,570 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:54,570 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:54,570 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:54,570 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,570 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:54,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,572 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,572 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:54,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:54,572 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:54,588 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,588 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,588 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:54,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:54,588 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,588 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:54,589 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,590 - INFO - number of orbitals:  135
-2024-12-09 10:29:54,590 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:54,590 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:54,590 - INFO - moving on ...
-2024-12-09 10:29:54,590 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:54,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,591 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,591 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,591 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:29:54,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:29:54,591 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:29:54,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,607 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,607 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:29:54,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:29:54,607 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,607 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:54,608 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:54,608 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:54,608 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,608 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:54,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,609 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,609 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:54,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:54,609 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:54,626 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,626 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,626 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:54,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:54,626 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,626 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:54,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,628 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,628 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:29:54,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:29:54,628 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:29:54,644 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,644 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,644 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:29:54,644 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:29:54,644 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,644 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:54,644 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:54,644 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:54,644 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,645 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:54,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,646 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,646 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,646 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:54,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:54,646 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:54,662 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,662 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,662 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:54,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:54,663 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,663 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:54,664 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,664 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,664 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,664 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:29:54,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:29:54,664 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:29:54,680 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,681 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,681 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:29:54,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:29:54,681 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,681 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:54,682 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:54,682 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:54,682 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,682 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:54,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,684 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,684 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,684 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:54,684 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:54,684 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:54,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,702 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,702 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:54,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:54,703 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,703 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:54,703 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:54,703 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:54,703 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,703 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:54,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,704 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,704 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,705 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:54,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:54,705 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:54,720 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,721 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,721 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:54,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:54,721 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,721 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:54,721 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:54,721 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:54,721 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,721 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:54,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,723 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,723 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,723 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:54,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:54,723 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:54,739 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,740 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,740 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:54,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:54,740 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,740 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:54,741 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,742 - INFO - number of orbitals:  118
-2024-12-09 10:29:54,742 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:54,742 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:54,742 - INFO - moving on ...
-2024-12-09 10:29:54,742 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:54,743 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,743 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,743 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,743 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:54,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:54,743 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:54,758 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,759 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,759 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:54,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:54,759 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,759 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:54,759 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:54,759 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:54,759 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,759 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:54,759 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,760 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,760 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,761 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,762 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,762 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:54,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:54,762 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,778 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,778 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,778 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:54,779 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,779 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,779 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,781 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,781 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,781 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:54,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:54,781 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:54,797 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,797 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,798 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:54,798 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,798 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,798 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,800 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,800 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,800 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:54,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:54,800 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:54,816 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,817 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,817 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:54,817 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,817 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,817 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,818 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,819 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,819 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,819 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:54,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:54,819 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:54,835 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,836 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,836 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:54,836 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,836 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,836 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,838 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,838 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,838 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:54,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:54,838 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:54,854 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,855 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,855 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:54,855 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,855 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,855 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,857 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,857 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,857 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:54,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:54,857 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:54,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,873 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,874 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:54,874 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,874 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,874 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,875 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,876 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,876 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,876 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:54,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:54,876 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:54,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,892 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,892 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:54,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:54,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:54,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:54,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,894 - INFO - number of supporting files: 1
-2024-12-09 10:29:54,894 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:54,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:54,894 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:54,912 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,912 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,912 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:54,913 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:54,913 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:54,913 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,913 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:54,914 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,915 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,915 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,915 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:54,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:54,915 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:54,938 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,938 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,939 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:54,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:54,939 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,939 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:54,939 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:54,939 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:54,939 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,939 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:54,941 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,941 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,941 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,941 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:54,941 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:54,941 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:54,964 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,964 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,964 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:54,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:54,965 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,965 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:54,966 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,967 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,967 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,967 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:54,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:54,967 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:54,990 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:54,990 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:54,991 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:54,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:54,991 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:54,991 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:54,991 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:54,991 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:54,991 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:54,991 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:54,993 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:54,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:54,994 - INFO - number of supporting files: 2
-2024-12-09 10:29:54,994 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:54,994 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:54,994 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:55,010 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,011 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,011 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:55,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:55,011 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,011 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:55,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,012 - INFO - number of orbitals:  119
-2024-12-09 10:29:55,012 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,012 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,012 - INFO - moving on ...
-2024-12-09 10:29:55,012 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:55,013 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,014 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,014 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,014 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:55,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:55,014 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:55,030 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,031 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,031 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:55,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:55,031 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,031 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:55,031 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:55,031 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:55,031 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,031 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:55,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,033 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,033 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,033 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:55,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:55,033 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:55,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,049 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,049 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:55,049 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:55,049 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,049 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:55,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,050 - INFO - number of orbitals:  135
-2024-12-09 10:29:55,050 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,050 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,050 - INFO - moving on ...
-2024-12-09 10:29:55,051 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:55,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,052 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,052 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,052 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:29:55,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:29:55,052 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:29:55,068 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,068 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,068 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:29:55,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:29:55,068 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,068 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:55,068 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:55,069 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:55,069 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,069 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:55,070 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,070 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,070 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,070 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:55,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:55,070 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:55,086 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,087 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,087 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:55,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:55,087 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,087 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:55,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,089 - INFO - number of orbitals:  118
-2024-12-09 10:29:55,089 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,089 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,089 - INFO - moving on ...
-2024-12-09 10:29:55,089 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:55,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,090 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,090 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,090 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:55,090 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:55,090 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:55,107 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,107 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,107 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:55,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:55,107 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,107 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:55,107 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:55,107 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:55,107 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,107 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:55,109 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,109 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,109 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,109 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:55,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:55,109 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:55,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,127 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,127 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:55,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:55,127 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,127 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:55,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,129 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,129 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:29:55,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:29:55,129 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:29:55,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,145 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,145 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:29:55,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:29:55,146 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,146 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:55,146 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:55,146 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:55,146 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,146 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:55,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,147 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,147 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,147 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:55,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:55,147 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:55,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,163 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,163 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:55,163 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:55,163 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,164 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:55,165 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,165 - INFO - number of orbitals:  110
-2024-12-09 10:29:55,165 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,165 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,165 - INFO - moving on ...
-2024-12-09 10:29:55,165 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:55,166 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,166 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,166 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,166 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:55,166 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:55,166 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:55,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,182 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,182 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:55,182 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:55,182 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,182 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:55,182 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:55,183 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:55,183 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,183 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:55,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,184 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,184 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,184 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:55,184 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:55,184 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:55,200 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,201 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,201 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:55,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:55,201 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,201 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:55,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,202 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,202 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,202 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 10:29:55,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 10:29:55,203 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 10:29:55,219 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,219 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,219 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 10:29:55,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 10:29:55,220 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,220 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:55,220 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:55,220 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:55,220 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,220 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:55,221 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,221 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,221 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,222 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:55,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:55,222 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:55,238 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,238 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,239 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:55,239 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:55,239 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:55,239 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,239 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:55,240 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,240 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,240 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:55,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:55,240 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:55,256 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,257 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,257 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:55,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:55,257 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,257 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:55,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,259 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,259 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,259 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 10:29:55,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 10:29:55,259 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 10:29:55,276 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,276 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,276 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 10:29:55,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 10:29:55,276 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,276 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:55,277 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:55,277 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:55,277 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,277 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:55,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,278 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,278 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:55,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:55,278 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:55,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,296 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,296 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:55,296 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:55,296 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:55,296 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,296 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:55,296 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,296 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,296 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,298 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,298 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,299 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,299 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:55,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:55,299 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:55,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,319 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,319 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:55,319 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,320 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,320 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,322 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,322 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,322 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:55,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:55,323 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:55,344 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,344 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,344 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:55,344 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,344 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,345 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,347 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,347 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,347 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:55,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:55,347 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:55,367 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,367 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,368 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:55,368 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,368 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,368 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,370 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,371 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,371 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,371 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:55,371 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:55,371 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:55,394 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,395 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,395 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:55,395 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:55,395 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:55,395 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,395 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:55,397 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,397 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,397 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,397 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:55,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:55,397 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:55,414 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,415 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,415 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:55,415 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:55,415 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,415 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:55,416 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,416 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,417 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,417 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:29:55,417 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:29:55,417 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:29:55,433 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,434 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,434 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:29:55,434 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:29:55,434 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,434 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:55,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,435 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,435 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,435 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:55,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:55,436 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:55,454 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,455 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,455 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:55,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:55,455 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,455 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:55,455 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:55,455 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:55,455 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,455 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:55,456 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,456 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,457 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,457 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:55,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:55,457 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:55,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,473 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,473 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:55,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:55,473 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,473 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:55,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,474 - INFO - number of orbitals:  110
-2024-12-09 10:29:55,474 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,474 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,474 - INFO - moving on ...
-2024-12-09 10:29:55,474 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:55,475 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,475 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,476 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,476 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:55,476 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:55,476 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:55,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,492 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,492 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:55,492 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:55,492 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,492 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:55,492 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:55,492 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:55,492 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,492 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:55,494 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,494 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,494 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,494 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:55,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:55,494 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:55,510 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,511 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,511 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:55,511 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:55,511 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,511 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:55,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,512 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,512 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,513 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:29:55,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:29:55,513 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:29:55,529 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,529 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,529 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:29:55,530 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:29:55,530 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,530 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:55,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,531 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,531 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,531 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:55,531 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:55,531 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:55,548 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,548 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,548 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:55,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:55,548 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,548 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:55,549 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:55,549 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:55,549 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,549 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:55,550 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,550 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,550 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,550 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:55,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:55,550 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:55,567 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,567 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,567 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:55,567 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:55,567 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,567 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:55,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,569 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,569 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,569 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 10:29:55,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 10:29:55,569 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 10:29:55,585 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,586 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,586 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 10:29:55,586 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 10:29:55,586 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,586 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:55,586 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:55,586 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:55,586 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,586 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:55,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,588 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,588 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,588 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:55,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:55,588 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:55,604 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,604 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,604 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:55,605 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:55,605 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:55,605 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,605 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:55,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,605 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,605 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,606 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,607 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,607 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,607 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:55,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:55,607 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:55,623 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,624 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,624 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:55,624 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,624 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,624 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,625 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,626 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,626 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,626 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:55,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:55,626 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:55,642 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,643 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,643 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:55,643 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,643 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,643 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,644 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,645 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,645 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,645 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:55,645 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:55,645 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:55,661 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,662 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,662 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:55,662 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,662 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,662 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,664 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,664 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,664 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:55,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:55,664 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:55,680 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,680 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,680 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:55,681 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,681 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,681 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,682 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,683 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,683 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,683 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:55,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:55,683 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:55,699 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,699 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,699 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:55,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,701 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,702 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,702 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:55,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:55,702 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:55,718 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,718 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,718 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:55,718 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,718 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,718 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,720 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,720 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,720 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,720 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:55,720 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:55,721 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:55,737 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,738 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,738 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:55,738 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,738 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,738 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,740 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,740 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,740 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:55,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:55,740 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:55,756 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,757 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,757 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:55,757 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,757 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,757 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,758 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,759 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,759 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,759 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:55,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:55,759 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:55,775 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,776 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,776 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:55,776 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:55,776 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:55,776 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,776 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:55,777 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,778 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,778 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,778 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:55,778 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:55,778 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:55,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,794 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,794 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:55,794 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:55,794 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,794 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:55,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,796 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,796 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,796 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 10:29:55,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 10:29:55,796 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 10:29:55,812 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,812 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,812 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 10:29:55,812 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 10:29:55,812 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,812 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:55,812 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:55,812 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:55,812 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,812 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:55,814 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,814 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,814 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,814 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:55,814 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:55,814 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:55,830 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,831 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,831 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:55,831 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:55,831 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,831 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:55,832 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,832 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,832 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,832 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:55,832 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:55,832 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:55,848 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,849 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,849 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:55,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:55,849 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,849 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:55,849 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:55,849 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:55,849 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,849 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:55,850 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,851 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,851 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,851 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:55,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:55,851 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:55,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,867 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,867 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:55,867 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:55,867 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:55,867 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,867 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:55,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,868 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,868 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:55,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:55,869 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:55,885 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,885 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,885 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:55,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:55,885 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,885 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:55,885 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:55,885 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:55,886 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,886 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:55,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,887 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,887 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,887 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:55,887 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:55,887 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:55,902 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,903 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,903 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:55,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:55,903 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,903 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:55,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,904 - INFO - number of orbitals:  116
-2024-12-09 10:29:55,905 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:55,905 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:55,905 - INFO - moving on ...
-2024-12-09 10:29:55,905 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:55,905 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:55,905 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:55,905 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,905 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:55,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,906 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,906 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,906 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:55,906 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:55,906 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:55,923 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,923 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,924 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:55,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:55,924 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,924 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:55,925 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,925 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,925 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,925 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:55,925 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:55,925 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:55,941 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,942 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,942 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:55,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:55,942 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,942 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:55,943 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,943 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,943 - INFO - number of supporting files: 2
-2024-12-09 10:29:55,943 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:55,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:55,943 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:55,958 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,958 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,959 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:55,959 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:55,959 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:55,959 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:55,959 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:55,959 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:55,959 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:55,959 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:55,959 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,959 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,959 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,960 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,961 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,961 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,961 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:55,961 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:55,961 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:55,976 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,977 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,977 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:55,977 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,977 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,977 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,978 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,979 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,979 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,979 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:55,979 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:55,979 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:55,995 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:55,995 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:55,995 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:55,995 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:55,996 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:55,996 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:55,997 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:55,997 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:55,998 - INFO - number of supporting files: 1
-2024-12-09 10:29:55,998 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:55,998 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:55,998 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:56,014 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,014 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,014 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:56,014 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,014 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,014 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,016 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,016 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,017 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,017 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:56,017 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:56,017 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:29:56,033 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,033 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,033 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:29:56,033 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,034 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,034 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,035 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,035 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,035 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:29:56,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:29:56,036 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:29:56,051 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,052 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,052 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:29:56,052 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,052 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,052 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,054 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,054 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,054 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,054 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:29:56,054 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:29:56,055 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:29:56,070 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,071 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,071 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:29:56,071 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,071 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,071 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,073 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,073 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,073 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:29:56,073 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:29:56,073 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:29:56,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,089 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,089 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:29:56,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,091 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,091 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:29:56,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:29:56,091 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:29:56,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,106 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,106 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:29:56,107 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,107 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,107 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,108 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,109 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,109 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:29:56,109 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:29:56,109 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:29:56,123 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,124 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,124 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:29:56,124 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,124 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,124 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,125 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,126 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,126 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,126 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:29:56,126 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:29:56,126 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:29:56,142 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,142 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,142 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:29:56,142 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,142 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,142 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,144 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,144 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,144 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:29:56,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:29:56,144 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:29:56,160 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,160 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,160 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:29:56,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,162 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,162 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,162 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:29:56,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:29:56,162 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:29:56,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,178 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,178 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:29:56,178 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:29:56,178 - INFO - problem_instance short name: be_0
-2024-12-09 10:29:56,178 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,178 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:29:56,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,179 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,179 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,180 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:29:56,180 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:29:56,180 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:29:56,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,196 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,196 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:29:56,196 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:29:56,196 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,196 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:29:56,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,197 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,197 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,197 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:29:56,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:29:56,198 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:29:56,212 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,213 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,213 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:29:56,213 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:29:56,213 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,213 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:29:56,214 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,214 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,215 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,215 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:29:56,215 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:29:56,215 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:29:56,231 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,231 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,231 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:29:56,231 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:29:56,231 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,231 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:29:56,232 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:29:56,232 - INFO - problem_instance short name: f2_0
-2024-12-09 10:29:56,232 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,232 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:29:56,233 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,233 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,233 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,233 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:29:56,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:29:56,233 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:29:56,249 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,249 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,249 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:29:56,249 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:29:56,249 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,249 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:29:56,251 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,251 - INFO - number of orbitals:  110
-2024-12-09 10:29:56,251 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,251 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,251 - INFO - moving on ...
-2024-12-09 10:29:56,251 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:29:56,252 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,252 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,252 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,252 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:29:56,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:29:56,253 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:29:56,269 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,269 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,269 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:29:56,269 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:29:56,269 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,269 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:29:56,269 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:29:56,269 - INFO - problem_instance short name: n2_0
-2024-12-09 10:29:56,269 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,269 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:29:56,271 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,271 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,271 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,271 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:29:56,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:29:56,271 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:29:56,287 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,287 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,287 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:29:56,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:29:56,287 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,287 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:29:56,288 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,289 - INFO - number of orbitals:  110
-2024-12-09 10:29:56,289 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,289 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,289 - INFO - moving on ...
-2024-12-09 10:29:56,289 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:29:56,290 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,290 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,290 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,290 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:29:56,290 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:29:56,290 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:29:56,306 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,307 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,307 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:29:56,307 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:29:56,307 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,307 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:29:56,307 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:29:56,307 - INFO - problem_instance short name: fe_red
-2024-12-09 10:29:56,307 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,307 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:29:56,307 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,307 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,307 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,309 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,309 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,309 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,309 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:29:56,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:29:56,309 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:29:56,325 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,326 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,326 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:29:56,326 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,326 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,326 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,327 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,328 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,328 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,328 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:29:56,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:29:56,328 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:29:56,344 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,345 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,345 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:29:56,345 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,345 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,345 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,346 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,347 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,347 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,347 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:29:56,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:29:56,347 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:29:56,363 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,363 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,364 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:29:56,364 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,364 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,364 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,365 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,366 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,366 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,366 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:29:56,366 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:29:56,366 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:29:56,383 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,383 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,383 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:29:56,383 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,383 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,383 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,385 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,385 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,385 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:29:56,385 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:29:56,386 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:29:56,402 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,402 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,402 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:29:56,402 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,404 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,404 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,404 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:29:56,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:29:56,405 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:29:56,421 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,421 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,421 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:29:56,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,422 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,422 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,423 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,423 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,423 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:29:56,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:29:56,424 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:29:56,440 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,440 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,440 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:29:56,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,441 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,441 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,443 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,443 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:29:56,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:29:56,443 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:29:56,459 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,459 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,459 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:29:56,460 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:56,460 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:56,460 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:56,461 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,461 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,462 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,462 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:29:56,462 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:29:56,462 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:29:56,478 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,479 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,479 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:29:56,479 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:29:56,479 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:29:56,479 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,479 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:29:56,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,481 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,481 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,481 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:29:56,481 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:29:56,481 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:29:56,497 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,498 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,498 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:29:56,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:29:56,498 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,498 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:29:56,499 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,499 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,499 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,499 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 10:29:56,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 10:29:56,499 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 10:29:56,516 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,516 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,516 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 10:29:56,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 10:29:56,516 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,516 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:29:56,516 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:29:56,516 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:29:56,516 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,516 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:29:56,518 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,518 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,518 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,518 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:29:56,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:29:56,518 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:29:56,535 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,535 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,535 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:29:56,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:29:56,535 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,535 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:29:56,535 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:29:56,535 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:29:56,535 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,535 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:29:56,537 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,537 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,537 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,537 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:29:56,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:29:56,537 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:29:56,553 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,553 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,553 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:29:56,554 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:29:56,554 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:29:56,554 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,554 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:29:56,555 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,555 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,555 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,555 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:29:56,555 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:29:56,555 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:29:56,571 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,571 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,571 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:29:56,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:29:56,571 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,571 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:29:56,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,573 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,573 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:29:56,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:29:56,573 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:29:56,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,589 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,589 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:29:56,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:29:56,589 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,589 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:29:56,589 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:29:56,590 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:29:56,590 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,590 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:29:56,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,591 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,591 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,591 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:29:56,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:29:56,591 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:29:56,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,608 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,608 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:29:56,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:29:56,608 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,608 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:29:56,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,609 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,609 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 10:29:56,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 10:29:56,609 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 10:29:56,625 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,626 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,626 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 10:29:56,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 10:29:56,626 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,626 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:29:56,626 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:29:56,626 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:29:56,626 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,626 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:29:56,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,628 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,628 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:29:56,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:29:56,628 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:29:56,643 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,644 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,644 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:29:56,644 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:29:56,644 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:29:56,644 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,644 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:29:56,645 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,646 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,646 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,646 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:29:56,646 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:29:56,646 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:29:56,662 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,662 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,662 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:29:56,662 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:29:56,662 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,662 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:29:56,663 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,664 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,664 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,664 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 10:29:56,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 10:29:56,664 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 10:29:56,681 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,681 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,681 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 10:29:56,681 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 10:29:56,681 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,681 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:29:56,681 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:29:56,682 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:29:56,682 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,682 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:29:56,683 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,683 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,683 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,683 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:29:56,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:29:56,683 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:29:56,700 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,701 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,701 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:29:56,701 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:29:56,701 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,701 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:29:56,702 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,703 - INFO - number of orbitals:  106
-2024-12-09 10:29:56,703 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,703 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,703 - INFO - moving on ...
-2024-12-09 10:29:56,703 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:29:56,703 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:29:56,703 - INFO - problem_instance short name: p2_0
-2024-12-09 10:29:56,703 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,703 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:29:56,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,705 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,705 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,705 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:29:56,705 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:29:56,705 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:29:56,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,722 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,722 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:29:56,722 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:29:56,722 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,722 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:29:56,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,724 - INFO - number of orbitals:  118
-2024-12-09 10:29:56,724 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,724 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,724 - INFO - moving on ...
-2024-12-09 10:29:56,724 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:29:56,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,725 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,725 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,725 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:29:56,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:29:56,725 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:29:56,743 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,743 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,743 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:29:56,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:29:56,743 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,743 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:29:56,743 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:29:56,744 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:29:56,744 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,744 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:29:56,745 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,745 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,745 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,745 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:29:56,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:29:56,746 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:29:56,762 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,762 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,762 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:29:56,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:29:56,762 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,762 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:29:56,764 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,764 - INFO - number of orbitals:  114
-2024-12-09 10:29:56,764 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,764 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,764 - INFO - moving on ...
-2024-12-09 10:29:56,764 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:29:56,765 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,765 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,765 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,765 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:29:56,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:29:56,765 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:29:56,781 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,782 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,782 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:29:56,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:29:56,782 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,782 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:29:56,782 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:29:56,782 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:29:56,782 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,782 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:29:56,783 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,784 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,784 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,784 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:29:56,784 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:29:56,784 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:29:56,800 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,801 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,801 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:29:56,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:29:56,801 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,801 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:29:56,802 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,802 - INFO - number of orbitals:  115
-2024-12-09 10:29:56,803 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:56,803 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:56,803 - INFO - moving on ...
-2024-12-09 10:29:56,803 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:29:56,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,804 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,804 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,804 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:29:56,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:29:56,804 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:29:56,820 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,820 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,820 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:29:56,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:29:56,820 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,820 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:29:56,821 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:29:56,821 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:29:56,821 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,821 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:29:56,822 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,822 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,822 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:29:56,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:29:56,822 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:29:56,838 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,839 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,839 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:29:56,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:29:56,839 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,839 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:29:56,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,840 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,840 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,840 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:29:56,840 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:29:56,840 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:29:56,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,857 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,857 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:29:56,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:29:56,857 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,857 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:29:56,858 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:29:56,858 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:29:56,858 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,858 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:29:56,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,859 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,859 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,859 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:29:56,859 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:29:56,859 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:29:56,875 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,876 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,876 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:29:56,876 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:29:56,876 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,876 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:29:56,876 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:29:56,876 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:29:56,876 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,876 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:29:56,877 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,878 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,878 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,878 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:29:56,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:29:56,878 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:29:56,894 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,895 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,895 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:29:56,895 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:29:56,895 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:29:56,895 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,895 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:29:56,896 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,897 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,897 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,897 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:29:56,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:29:56,897 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:29:56,913 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,913 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,913 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:29:56,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:29:56,914 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,914 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:29:56,915 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,915 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,915 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,915 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 10:29:56,915 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 10:29:56,915 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 10:29:56,931 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,932 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,932 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 10:29:56,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 10:29:56,932 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,932 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:29:56,932 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:29:56,932 - INFO - problem_instance short name: V_1
-2024-12-09 10:29:56,932 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,932 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:29:56,934 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,934 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,934 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,934 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:29:56,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:29:56,934 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:29:56,950 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,951 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,951 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:29:56,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:29:56,951 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,951 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:29:56,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,953 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,953 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 10:29:56,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 10:29:56,953 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 10:29:56,969 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,969 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,969 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 10:29:56,969 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 10:29:56,969 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:56,969 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:29:56,970 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:29:56,970 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:29:56,970 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,970 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:29:56,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,971 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,971 - INFO - number of supporting files: 1
-2024-12-09 10:29:56,971 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:29:56,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:29:56,971 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:29:56,987 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:56,988 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:29:56,988 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:29:56,988 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:29:56,988 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:29:56,988 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:56,988 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:29:56,989 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:56,990 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:56,990 - INFO - number of supporting files: 2
-2024-12-09 10:29:56,990 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:29:56,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:29:56,990 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:29:57,006 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,006 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,006 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:29:57,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:29:57,007 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,007 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:29:57,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,008 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,008 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,008 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 10:29:57,008 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 10:29:57,008 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 10:29:57,025 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,025 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,026 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 10:29:57,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 10:29:57,026 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,026 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:29:57,026 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:29:57,026 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:29:57,026 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,026 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:29:57,027 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,028 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,028 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,028 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:29:57,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:29:57,028 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:29:57,044 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,044 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,045 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:29:57,045 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:29:57,045 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,045 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:29:57,045 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:29:57,045 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:29:57,045 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,045 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:29:57,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,046 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,047 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,047 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:29:57,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:29:57,047 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:29:57,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,063 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,063 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:29:57,063 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:29:57,063 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:29:57,063 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,063 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:29:57,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,065 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,065 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,065 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:29:57,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:29:57,065 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:29:57,081 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,082 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,082 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:29:57,082 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:29:57,082 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,082 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:29:57,083 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,084 - INFO - number of orbitals:  116
-2024-12-09 10:29:57,084 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,084 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,084 - INFO - moving on ...
-2024-12-09 10:29:57,084 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:29:57,084 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:29:57,084 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:29:57,084 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,084 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:29:57,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,085 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,085 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:29:57,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:29:57,086 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:29:57,102 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,102 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,102 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:29:57,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:29:57,102 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,103 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:29:57,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,104 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,104 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 10:29:57,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 10:29:57,104 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 10:29:57,120 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,120 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,121 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 10:29:57,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 10:29:57,121 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,121 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:29:57,121 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:29:57,121 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:29:57,121 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,121 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:29:57,122 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,123 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,123 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:29:57,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:29:57,123 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:29:57,139 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,140 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,140 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:29:57,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:29:57,140 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,140 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:29:57,141 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,141 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,142 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,142 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 10:29:57,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 10:29:57,142 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 10:29:57,158 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,158 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,158 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 10:29:57,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 10:29:57,158 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,158 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:29:57,158 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:29:57,158 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:29:57,158 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,158 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:29:57,160 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,160 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,160 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,160 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:29:57,160 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:29:57,160 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:29:57,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,177 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,177 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:29:57,177 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:29:57,178 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,178 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:29:57,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,179 - INFO - number of orbitals:  110
-2024-12-09 10:29:57,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,179 - INFO - moving on ...
-2024-12-09 10:29:57,179 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:29:57,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,181 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,181 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:29:57,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:29:57,181 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:29:57,197 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,198 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,198 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:29:57,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:29:57,198 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,198 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:29:57,198 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:29:57,198 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:29:57,198 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,198 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:29:57,199 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,200 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,200 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,200 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:29:57,200 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:29:57,200 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:29:57,216 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,216 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,217 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:29:57,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:29:57,217 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,217 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:29:57,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,218 - INFO - number of orbitals:  135
-2024-12-09 10:29:57,218 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,218 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,218 - INFO - moving on ...
-2024-12-09 10:29:57,218 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:29:57,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,219 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,219 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,220 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 10:29:57,220 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 10:29:57,220 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,235 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,236 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,236 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 10:29:57,236 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 10:29:57,236 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,236 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:29:57,236 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:29:57,237 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:29:57,237 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,237 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:29:57,238 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,239 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,239 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,239 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:29:57,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:29:57,239 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:29:57,256 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,256 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,256 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:29:57,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:29:57,256 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,256 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:29:57,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,258 - INFO - number of orbitals:  119
-2024-12-09 10:29:57,258 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,258 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,258 - INFO - moving on ...
-2024-12-09 10:29:57,258 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:29:57,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,259 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,259 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,259 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:29:57,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:29:57,260 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:29:57,276 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,276 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,276 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:29:57,276 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:29:57,276 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,276 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:29:57,277 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:29:57,277 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:29:57,277 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,277 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:29:57,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,278 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,278 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:29:57,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:29:57,278 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:29:57,294 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,295 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,295 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:29:57,295 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:29:57,295 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,295 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:29:57,296 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,297 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,297 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,297 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:29:57,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:29:57,297 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:29:57,313 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,313 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,314 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:29:57,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:29:57,314 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,314 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:29:57,314 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:29:57,314 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:29:57,314 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,314 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:29:57,315 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,315 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,315 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,315 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:29:57,315 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:29:57,316 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:29:57,331 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,331 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,332 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:29:57,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:29:57,332 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,332 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:29:57,332 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:29:57,332 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:29:57,332 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,332 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:29:57,333 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,333 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,333 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,333 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:29:57,333 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:29:57,333 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:29:57,350 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,350 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,350 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:29:57,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:29:57,350 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,350 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:29:57,351 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,352 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,352 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,352 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 10:29:57,352 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 10:29:57,352 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 10:29:57,369 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,370 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,370 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 10:29:57,370 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 10:29:57,370 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,370 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:29:57,372 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,372 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,372 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,372 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:29:57,372 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:29:57,372 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,390 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,390 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,390 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:29:57,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:29:57,390 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,390 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:29:57,391 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:29:57,391 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:29:57,391 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,391 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:29:57,392 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,392 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,392 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,392 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:29:57,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:29:57,393 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:29:57,409 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,409 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,409 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:29:57,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:29:57,409 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,410 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:29:57,411 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,411 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,411 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,411 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-09 10:29:57,411 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
-2024-12-09 10:29:57,411 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
-2024-12-09 10:29:57,428 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,428 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,428 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
-2024-12-09 10:29:57,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
-2024-12-09 10:29:57,428 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,428 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:29:57,429 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:29:57,429 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:29:57,429 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,429 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:29:57,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,430 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,430 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:29:57,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:29:57,430 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:29:57,447 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,447 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,448 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:29:57,448 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:29:57,448 - INFO - problem_instance short name: O_0
-2024-12-09 10:29:57,448 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,448 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:29:57,449 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,450 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,450 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,450 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:29:57,450 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:29:57,450 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:29:57,466 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,466 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,467 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:29:57,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:29:57,467 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,467 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:29:57,468 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,468 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,468 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,468 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:29:57,468 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:29:57,468 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:29:57,484 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,485 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,485 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:29:57,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:29:57,485 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,485 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:29:57,486 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,486 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,486 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,486 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:29:57,486 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:29:57,486 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:29:57,502 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,502 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,502 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:29:57,503 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:29:57,503 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,503 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:29:57,503 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:29:57,503 - INFO - problem_instance short name: ozone
-2024-12-09 10:29:57,503 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,503 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:29:57,503 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,503 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,503 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,505 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,505 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,505 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:29:57,505 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:29:57,505 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:29:57,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,521 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,521 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:29:57,521 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,521 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,521 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,523 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,523 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,523 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:29:57,523 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:29:57,523 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:29:57,540 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,540 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,540 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:29:57,540 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,541 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,541 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,542 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,543 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,543 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,543 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 10:29:57,543 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 10:29:57,543 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,559 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,559 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,559 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:29:57,560 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,560 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,560 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,561 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,562 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,562 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,562 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:29:57,562 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:29:57,562 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:29:57,578 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,578 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,578 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:29:57,578 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,578 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,578 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,580 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,580 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,580 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,580 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:29:57,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:29:57,580 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:29:57,597 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,597 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,597 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:29:57,597 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,597 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,597 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,598 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,599 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,599 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,599 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 10:29:57,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 10:29:57,599 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 10:29:57,615 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,616 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,616 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:29:57,616 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:29:57,616 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:29:57,616 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,616 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:29:57,617 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,618 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,618 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,618 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:29:57,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:29:57,618 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:29:57,634 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,634 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,634 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:29:57,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:29:57,635 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,635 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:29:57,636 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,636 - INFO - number of orbitals:  115
-2024-12-09 10:29:57,636 - INFO - too many orbitals!  we are only considering max_num_orbitals 95.
-2024-12-09 10:29:57,636 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:57,636 - INFO - moving on ...
-2024-12-09 10:29:57,636 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:29:57,637 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,637 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,637 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,638 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:29:57,638 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:29:57,638 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:29:57,654 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,654 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,654 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:29:57,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:29:57,654 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,654 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:29:57,654 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:29:57,654 - INFO - problem_instance short name: VO_0
-2024-12-09 10:29:57,654 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,654 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:29:57,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,656 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,656 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,656 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:29:57,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:29:57,656 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:29:57,672 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,672 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,672 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:29:57,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:29:57,672 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,672 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:29:57,672 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:29:57,672 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:29:57,672 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,672 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:29:57,674 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,674 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,674 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,674 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:29:57,674 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:29:57,674 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:29:57,689 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,690 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,690 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:29:57,690 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:29:57,690 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:29:57,690 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,690 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:29:57,690 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,690 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,690 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,691 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,692 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,692 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,692 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:29:57,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:29:57,692 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:29:57,709 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,709 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,709 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:29:57,709 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,710 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,710 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,711 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,711 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,711 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:29:57,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:29:57,712 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:29:57,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,727 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,727 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:29:57,728 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,728 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,728 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,729 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,730 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,730 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:29:57,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:29:57,730 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:29:57,745 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,746 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,746 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:29:57,746 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,746 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,746 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,747 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,748 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,748 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,748 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:29:57,748 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:29:57,748 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:29:57,764 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,765 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,765 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:29:57,765 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,765 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,765 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,767 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,767 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,767 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:29:57,767 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:29:57,767 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:29:57,783 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,783 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,784 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:29:57,784 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,784 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,784 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,785 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,786 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,786 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,786 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:29:57,786 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:29:57,786 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:29:57,802 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,802 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,803 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:29:57,803 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:29:57,803 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:29:57,803 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,803 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:29:57,803 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,803 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,803 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,804 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,805 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,805 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,805 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:29:57,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:29:57,805 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,821 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,821 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,822 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:29:57,822 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,822 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,822 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,823 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,823 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,824 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,824 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:29:57,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:29:57,824 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:29:57,839 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,840 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,840 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:29:57,840 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,840 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,840 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,842 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,842 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,842 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:29:57,842 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:29:57,842 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:29:57,858 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,858 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,858 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:29:57,859 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:29:57,859 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:29:57,859 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,859 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:29:57,860 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,860 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,860 - INFO - number of supporting files: 2
-2024-12-09 10:29:57,860 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:29:57,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:29:57,860 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:29:57,877 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,877 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,877 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:29:57,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:29:57,877 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:57,877 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:29:57,878 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:29:57,878 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:29:57,878 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:29:57,878 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:29:57,878 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,878 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,878 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,880 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,880 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,880 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:29:57,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:29:57,880 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:29:57,897 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,897 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,897 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:29:57,897 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,897 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,897 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,899 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,899 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,899 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:29:57,899 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:29:57,899 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:29:57,916 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,916 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,916 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:29:57,916 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,917 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,917 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,919 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,919 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,919 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:29:57,919 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:29:57,919 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:29:57,935 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,936 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,936 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:29:57,936 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,936 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,936 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,937 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,938 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,938 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,938 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:29:57,938 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:29:57,938 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:29:57,954 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,955 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,955 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:29:57,955 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,955 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,955 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,956 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,957 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,957 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,957 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:29:57,957 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:29:57,957 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:29:57,973 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,974 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,974 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:29:57,974 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,974 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,974 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,975 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,976 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,976 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,976 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:29:57,976 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:29:57,976 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:29:57,992 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:57,992 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:29:57,992 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:29:57,993 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:57,993 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:57,993 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:57,994 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:57,994 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:57,995 - INFO - number of supporting files: 1
-2024-12-09 10:29:57,995 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:29:57,995 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:29:57,995 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:29:58,011 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,011 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,011 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:29:58,011 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,011 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,011 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,013 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,013 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:29:58,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:29:58,013 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:29:58,029 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,030 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,030 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:29:58,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,031 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,032 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,032 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,032 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:29:58,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:29:58,032 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:29:58,048 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,048 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,048 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:29:58,048 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,048 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,049 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,050 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,050 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,050 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,050 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:29:58,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:29:58,051 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:29:58,067 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,068 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,068 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:29:58,068 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,068 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,068 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,069 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,070 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,070 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,070 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:29:58,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:29:58,070 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:29:58,087 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,087 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,087 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:29:58,087 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,087 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,087 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,088 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,089 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,089 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,089 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:29:58,089 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:29:58,089 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:29:58,106 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,106 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,106 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:29:58,106 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,106 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,106 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,108 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,108 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,108 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,108 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:29:58,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:29:58,109 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:29:58,125 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,125 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,126 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:29:58,126 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,126 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,126 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,128 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,128 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,128 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:29:58,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:29:58,128 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:29:58,144 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,145 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,145 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:29:58,145 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,145 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,145 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,146 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,147 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,147 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,147 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:29:58,147 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:29:58,147 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:29:58,163 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,163 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,163 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:29:58,163 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,163 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,163 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,165 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,165 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:29:58,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:29:58,165 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:29:58,181 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,181 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,181 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:29:58,182 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:29:58,182 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:29:58,182 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,182 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:29:58,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,183 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,183 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,183 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:29:58,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:29:58,183 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:29:58,199 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,199 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,199 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:29:58,199 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:29:58,199 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,199 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:29:58,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,200 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,201 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,201 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 10:29:58,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 10:29:58,201 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 10:29:58,215 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,216 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,216 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 10:29:58,216 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 10:29:58,216 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,216 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:29:58,216 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:29:58,216 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:29:58,216 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,216 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:29:58,218 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,218 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,218 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,218 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:29:58,218 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:29:58,218 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:29:58,234 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,234 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,234 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:29:58,234 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:29:58,234 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,234 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:29:58,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,236 - INFO - number of orbitals:  118
-2024-12-09 10:29:58,236 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,236 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,236 - INFO - moving on ...
-2024-12-09 10:29:58,236 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:29:58,237 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,237 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,237 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:29:58,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:29:58,237 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:29:58,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,253 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,253 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:29:58,253 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:29:58,253 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,253 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:29:58,254 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:29:58,254 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:29:58,254 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,254 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:29:58,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,255 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,255 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:29:58,255 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:29:58,255 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:29:58,272 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,272 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,272 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:29:58,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:29:58,272 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,272 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:29:58,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,274 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,274 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,274 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:29:58,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:29:58,274 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:29:58,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,290 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,291 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:29:58,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:29:58,291 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,291 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:29:58,291 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:29:58,291 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:29:58,291 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,291 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:29:58,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,293 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,293 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:29:58,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:29:58,293 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,309 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,309 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:29:58,309 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:29:58,309 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,309 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:29:58,309 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:29:58,309 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:29:58,309 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,309 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:29:58,310 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,310 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,310 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,312 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,312 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:29:58,312 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:29:58,312 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:29:58,327 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,327 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,327 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:29:58,327 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,327 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,328 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,329 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,329 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,330 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,330 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:29:58,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:29:58,330 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:29:58,345 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,346 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,346 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:29:58,346 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,346 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,346 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,347 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,348 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,348 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,348 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:29:58,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:29:58,348 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,364 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,364 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,364 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:29:58,364 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,365 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,365 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,366 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,367 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,367 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,367 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:29:58,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:29:58,367 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,383 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,384 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,384 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:29:58,384 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,384 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,384 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,386 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,386 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,386 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:29:58,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:29:58,386 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:29:58,403 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,403 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,403 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:29:58,403 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,403 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,403 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,404 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,405 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,405 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,405 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:29:58,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:29:58,405 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:29:58,421 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,422 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,422 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:29:58,422 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,422 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,422 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,423 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,424 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,424 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,424 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:29:58,424 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:29:58,424 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:29:58,440 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,440 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,440 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:29:58,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,440 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,440 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,442 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,442 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:29:58,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:29:58,442 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:29:58,458 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,459 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,459 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:29:58,459 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,459 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,459 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,461 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,461 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,461 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:29:58,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:29:58,461 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:29:58,477 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,477 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,477 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:29:58,477 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,477 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,477 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,479 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,479 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,479 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:29:58,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:29:58,479 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:29:58,496 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,496 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,496 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:29:58,496 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,497 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,497 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,498 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,498 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,499 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:29:58,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:29:58,499 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,515 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,515 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,515 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:29:58,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,517 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,517 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:29:58,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:29:58,518 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:29:58,534 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,534 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,534 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:29:58,535 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:29:58,535 - INFO - problem_instance short name: benzene
-2024-12-09 10:29:58,535 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,535 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:29:58,535 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,535 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,535 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,536 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,537 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,537 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,537 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:29:58,537 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:29:58,537 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:29:58,554 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,554 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,554 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:29:58,554 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,554 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,554 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,556 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,556 - INFO - number of orbitals:  108
-2024-12-09 10:29:58,556 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,556 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,557 - INFO - moving on ...
-2024-12-09 10:29:58,557 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:29:58,557 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:29:58,557 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:29:58,557 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,557 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:29:58,558 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,558 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,558 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,558 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:29:58,558 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:29:58,558 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:29:58,574 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,574 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,575 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:29:58,575 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:29:58,575 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,575 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:29:58,576 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,576 - INFO - number of orbitals:  135
-2024-12-09 10:29:58,576 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,576 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,576 - INFO - moving on ...
-2024-12-09 10:29:58,576 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:29:58,578 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,578 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,578 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,578 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:29:58,578 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:29:58,578 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:29:58,595 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,595 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,595 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:29:58,595 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:29:58,595 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,595 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:29:58,596 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:29:58,596 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:29:58,596 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,596 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:29:58,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,597 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,597 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,597 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:29:58,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:29:58,597 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:29:58,613 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,614 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,614 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:29:58,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:29:58,614 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,614 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:29:58,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,616 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,616 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,616 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:29:58,616 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:29:58,616 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:29:58,632 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,633 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,633 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:29:58,633 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:29:58,633 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,633 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:29:58,633 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:29:58,633 - INFO - problem_instance short name: V_0
-2024-12-09 10:29:58,633 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,633 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:29:58,635 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,635 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,635 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,635 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:29:58,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:29:58,635 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:29:58,651 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,652 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,652 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:29:58,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:29:58,652 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,652 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:29:58,653 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,654 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,654 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,654 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:29:58,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:29:58,654 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:29:58,670 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,670 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,670 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:29:58,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:29:58,671 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,671 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:29:58,671 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:29:58,671 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:29:58,671 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,671 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:29:58,672 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,672 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,672 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,672 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:29:58,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:29:58,673 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:29:58,689 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,689 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,689 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:29:58,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:29:58,690 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,690 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:29:58,690 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:29:58,690 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:29:58,690 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,690 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:29:58,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,692 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,692 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,692 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:29:58,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:29:58,692 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:29:58,709 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,710 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,710 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:29:58,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:29:58,710 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,710 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:29:58,710 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:29:58,710 - INFO - problem_instance short name: na2_0
-2024-12-09 10:29:58,710 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,710 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:29:58,711 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,712 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,712 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,712 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:29:58,712 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:29:58,712 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:29:58,729 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,729 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,729 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:29:58,729 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:29:58,729 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,729 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:29:58,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,731 - INFO - number of orbitals:  118
-2024-12-09 10:29:58,731 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,731 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,731 - INFO - moving on ...
-2024-12-09 10:29:58,731 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:29:58,732 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,732 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,732 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,732 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:29:58,732 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:29:58,732 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:29:58,748 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,749 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,749 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:29:58,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:29:58,749 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,749 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:29:58,749 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:29:58,749 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:29:58,749 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,749 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:29:58,749 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,750 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,750 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,751 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,752 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,752 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,752 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:29:58,752 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:29:58,752 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,768 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,769 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,769 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:29:58,769 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,769 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,769 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,770 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,771 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,771 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,771 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:29:58,771 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:29:58,771 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:29:58,788 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,788 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,788 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:29:58,788 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,788 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,788 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,790 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,790 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,791 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,791 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:29:58,791 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:29:58,791 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:29:58,807 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,808 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,808 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:29:58,808 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,808 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,808 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,809 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,810 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,810 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,810 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:29:58,810 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:29:58,810 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:29:58,827 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,827 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,827 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:29:58,827 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,827 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,827 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,829 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,829 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,829 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,829 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:29:58,830 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:29:58,830 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:29:58,846 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,846 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,846 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:29:58,846 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,847 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,847 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,848 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,849 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,849 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,849 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:29:58,849 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:29:58,849 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:29:58,866 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,866 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,866 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:29:58,867 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,867 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,867 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,869 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,869 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,869 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,869 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:29:58,870 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:29:58,870 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:29:58,887 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,887 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,887 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:29:58,887 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:58,887 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:58,888 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:58,889 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,890 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,890 - INFO - number of supporting files: 1
-2024-12-09 10:29:58,890 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:29:58,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:29:58,890 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:29:58,906 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,907 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,907 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:29:58,907 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:29:58,907 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:29:58,907 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,907 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:29:58,909 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,909 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,909 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,909 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:29:58,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:29:58,909 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:29:58,925 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,925 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,926 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:29:58,926 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:29:58,926 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,926 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:29:58,926 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:29:58,926 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:29:58,926 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,926 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:29:58,927 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,928 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,928 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:29:58,928 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:29:58,928 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:29:58,944 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,944 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,945 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:29:58,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:29:58,945 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,945 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:29:58,946 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,946 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,946 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,946 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:29:58,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:29:58,946 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:29:58,962 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,963 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,963 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:29:58,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:29:58,963 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,963 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:29:58,963 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:29:58,963 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:29:58,963 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:58,963 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:29:58,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,965 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,965 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:29:58,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:29:58,965 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:29:58,981 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:58,981 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:29:58,981 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:29:58,981 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:29:58,981 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:58,981 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:29:58,983 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,983 - INFO - number of orbitals:  119
-2024-12-09 10:29:58,983 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:58,983 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:58,983 - INFO - moving on ...
-2024-12-09 10:29:58,983 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:29:58,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:58,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:58,984 - INFO - number of supporting files: 2
-2024-12-09 10:29:58,984 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:29:58,984 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:29:58,984 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:29:59,001 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,001 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,001 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:29:59,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:29:59,002 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,002 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:29:59,002 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:29:59,002 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:29:59,002 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,002 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:29:59,003 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,003 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,003 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,003 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:29:59,004 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:29:59,004 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:29:59,020 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,020 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,021 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:29:59,021 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:29:59,021 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,021 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:29:59,022 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,022 - INFO - number of orbitals:  135
-2024-12-09 10:29:59,022 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,022 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,022 - INFO - moving on ...
-2024-12-09 10:29:59,022 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:29:59,023 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,024 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,024 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,024 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:29:59,024 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:29:59,024 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:29:59,040 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,041 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,041 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:29:59,041 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:29:59,041 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,041 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:29:59,041 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:29:59,041 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:29:59,041 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,041 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:29:59,042 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,043 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,043 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,043 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:29:59,043 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:29:59,043 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:29:59,060 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,061 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,061 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:29:59,061 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:29:59,061 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,061 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:29:59,062 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,062 - INFO - number of orbitals:  118
-2024-12-09 10:29:59,063 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,063 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,063 - INFO - moving on ...
-2024-12-09 10:29:59,063 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:29:59,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,064 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,064 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,064 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:29:59,064 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:29:59,064 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:29:59,082 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,082 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,083 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:29:59,083 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:29:59,083 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,083 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:29:59,083 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:29:59,083 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:29:59,083 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,083 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:29:59,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,085 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,085 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:29:59,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:29:59,085 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:29:59,101 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,102 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,102 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:29:59,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:29:59,102 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,102 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:29:59,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,104 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,104 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:29:59,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:29:59,104 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:29:59,121 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,122 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,122 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:29:59,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:29:59,122 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,122 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:29:59,122 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:29:59,122 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:29:59,122 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,122 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:29:59,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,124 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,124 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,124 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:29:59,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:29:59,124 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:29:59,140 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,141 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,141 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:29:59,141 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:29:59,141 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,141 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:29:59,143 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,143 - INFO - number of orbitals:  110
-2024-12-09 10:29:59,143 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,143 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,143 - INFO - moving on ...
-2024-12-09 10:29:59,143 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:29:59,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,145 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,145 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,145 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:29:59,145 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:29:59,145 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:29:59,162 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,162 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,162 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:29:59,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:29:59,163 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,163 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:29:59,163 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:29:59,163 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:29:59,163 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,163 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:29:59,164 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,165 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,165 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,165 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:29:59,165 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:29:59,165 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:29:59,182 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,183 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,183 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:29:59,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:29:59,183 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,183 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:29:59,184 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,185 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,185 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,185 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 10:29:59,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 10:29:59,185 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 10:29:59,201 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,202 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,202 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 10:29:59,202 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 10:29:59,202 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,202 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:29:59,202 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:29:59,202 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:29:59,202 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,202 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:29:59,203 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,204 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,204 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:29:59,204 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:29:59,204 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:29:59,221 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,221 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,221 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:29:59,221 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:29:59,221 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:29:59,221 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,222 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:29:59,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,223 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,223 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:29:59,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:29:59,223 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:29:59,240 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,240 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,240 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:29:59,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:29:59,240 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,240 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:29:59,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,242 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,242 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 10:29:59,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 10:29:59,242 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 10:29:59,258 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,259 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,259 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 10:29:59,259 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 10:29:59,259 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,259 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:29:59,259 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:29:59,259 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:29:59,259 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,259 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:29:59,261 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,261 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,261 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,261 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:29:59,261 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:29:59,261 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:29:59,279 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,279 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,279 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:29:59,279 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:29:59,280 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:29:59,280 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,280 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:29:59,280 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,280 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,280 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,282 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,282 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,282 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:29:59,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:29:59,282 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:29:59,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,299 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,300 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:29:59,300 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,300 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,300 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,302 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,302 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,302 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:29:59,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:29:59,302 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:29:59,319 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,319 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,319 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:29:59,320 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,320 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,320 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,321 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,322 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,322 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,322 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:29:59,322 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:29:59,322 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:29:59,338 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,338 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,338 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:29:59,339 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,339 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,339 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,341 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,341 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,341 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:29:59,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:29:59,341 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:29:59,358 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,358 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,358 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:29:59,359 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:29:59,359 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:29:59,359 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,359 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:29:59,360 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,360 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,360 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,360 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:29:59,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:29:59,361 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:29:59,377 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,377 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,378 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:29:59,378 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:29:59,378 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,378 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:29:59,379 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,379 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,379 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,379 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:29:59,379 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:29:59,380 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:29:59,396 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,397 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,397 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:29:59,397 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:29:59,397 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,397 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:29:59,398 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,398 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,398 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,398 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:29:59,398 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:29:59,399 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:29:59,415 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,416 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,416 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:29:59,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:29:59,416 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,416 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:29:59,416 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:29:59,416 - INFO - problem_instance short name: li2_0
-2024-12-09 10:29:59,416 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,416 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:29:59,417 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,418 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,418 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,418 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:29:59,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:29:59,418 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:29:59,434 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,435 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,435 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:29:59,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:29:59,435 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,435 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:29:59,436 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,437 - INFO - number of orbitals:  110
-2024-12-09 10:29:59,437 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,437 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,437 - INFO - moving on ...
-2024-12-09 10:29:59,437 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:29:59,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,438 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,438 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,438 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:29:59,438 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:29:59,438 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:29:59,456 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,457 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,457 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:29:59,457 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:29:59,457 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,457 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:29:59,458 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:29:59,458 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:29:59,458 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,458 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:29:59,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,460 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,460 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,460 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:29:59,460 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:29:59,460 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:29:59,478 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,478 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,478 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:29:59,478 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:29:59,478 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,478 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:29:59,480 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,480 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,480 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,480 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:29:59,480 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:29:59,480 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:29:59,496 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,497 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,497 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:29:59,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:29:59,497 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,497 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:29:59,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,499 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,499 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,499 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:29:59,499 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:29:59,499 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:29:59,514 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,515 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,515 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:29:59,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:29:59,515 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,515 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:29:59,515 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:29:59,515 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:29:59,515 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,515 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:29:59,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,517 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,517 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:29:59,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:29:59,517 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:29:59,533 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,533 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,533 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:29:59,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:29:59,534 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,534 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:29:59,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,535 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,535 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,535 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 10:29:59,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 10:29:59,535 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 10:29:59,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,551 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,552 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 10:29:59,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 10:29:59,552 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,552 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:29:59,552 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:29:59,552 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:29:59,552 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,552 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:29:59,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,553 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,553 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,554 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:29:59,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:29:59,554 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:29:59,570 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,570 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,570 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:29:59,571 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:29:59,571 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:29:59,571 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,571 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:29:59,571 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,571 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,571 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,573 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,573 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:29:59,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:29:59,573 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:29:59,590 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,590 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,590 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:29:59,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,591 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,591 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,593 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,593 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:29:59,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:29:59,593 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:29:59,609 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,610 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,610 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:29:59,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,610 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,610 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,611 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,612 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,612 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,612 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:29:59,612 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:29:59,612 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:29:59,629 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,629 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,629 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:29:59,630 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,630 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,630 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,631 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,632 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,632 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,632 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:29:59,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:29:59,632 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:29:59,648 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,649 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,649 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:29:59,649 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,649 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,649 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,650 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,651 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,651 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,651 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:29:59,651 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:29:59,651 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:29:59,667 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,668 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,668 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:29:59,668 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,668 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,668 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,670 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,670 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,670 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:29:59,670 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:29:59,670 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:29:59,686 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,686 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,686 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:29:59,686 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,686 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,686 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,688 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,688 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,688 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:29:59,688 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:29:59,689 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:29:59,704 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,705 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,705 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:29:59,705 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,705 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,705 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,706 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,707 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,707 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,707 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:29:59,707 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:29:59,707 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:29:59,723 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,724 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,724 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:29:59,724 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,724 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,724 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,725 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,726 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,726 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,726 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:29:59,726 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:29:59,726 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:29:59,742 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,743 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,743 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:29:59,743 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:29:59,743 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:29:59,743 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,743 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:29:59,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,745 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,745 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,745 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:29:59,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:29:59,745 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:29:59,761 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,762 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,762 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:29:59,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:29:59,762 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,762 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:29:59,763 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,763 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,763 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,763 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 10:29:59,763 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 10:29:59,764 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 10:29:59,779 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,780 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,780 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 10:29:59,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 10:29:59,780 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,780 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:29:59,780 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:29:59,780 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:29:59,780 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,781 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:29:59,782 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,782 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,782 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,782 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:29:59,782 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:29:59,782 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:29:59,799 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,799 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,800 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:29:59,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:29:59,800 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,800 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:29:59,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,801 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,801 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,801 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:29:59,801 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:29:59,801 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:29:59,817 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,818 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,818 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:29:59,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:29:59,818 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,818 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:29:59,818 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:29:59,818 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:29:59,818 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,818 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:29:59,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,819 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,820 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,820 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:29:59,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:29:59,820 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:29:59,835 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,835 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,835 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:29:59,835 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:29:59,836 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:29:59,836 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,836 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:29:59,837 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,837 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,837 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,838 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:29:59,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:29:59,838 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:29:59,854 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,854 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,854 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:29:59,854 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:29:59,855 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,855 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:29:59,855 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:29:59,855 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:29:59,855 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,855 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:29:59,856 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,856 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,856 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,856 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:29:59,857 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:29:59,857 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:29:59,873 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,873 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,873 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:29:59,873 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:29:59,873 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,873 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:29:59,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,875 - INFO - number of orbitals:  116
-2024-12-09 10:29:59,875 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:29:59,875 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:29:59,875 - INFO - moving on ...
-2024-12-09 10:29:59,875 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:29:59,875 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:29:59,875 - INFO - problem_instance short name: O_1
-2024-12-09 10:29:59,875 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,875 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:29:59,876 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,877 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,877 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,877 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:29:59,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:29:59,877 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:29:59,893 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,893 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,893 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:29:59,893 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:29:59,894 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,894 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:29:59,895 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,895 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,895 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,895 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:29:59,895 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:29:59,895 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:29:59,911 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,911 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,912 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:29:59,912 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:29:59,912 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,912 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:29:59,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,913 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,913 - INFO - number of supporting files: 2
-2024-12-09 10:29:59,913 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:29:59,913 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:29:59,913 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:29:59,931 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,931 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,931 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:29:59,931 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:29:59,931 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:29:59,931 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:29:59,931 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:29:59,932 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:29:59,932 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:29:59,932 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:29:59,932 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,932 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,932 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,933 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,934 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,934 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,934 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:29:59,934 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:29:59,934 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:29:59,951 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,951 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,951 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:29:59,951 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,953 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,953 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,954 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,954 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:29:59,954 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:29:59,954 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:29:59,970 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,970 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,970 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:29:59,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,972 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,972 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,972 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:29:59,973 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:29:59,973 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:29:59,988 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:29:59,989 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:29:59,989 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:29:59,989 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:29:59,989 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:29:59,989 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:29:59,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:29:59,991 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:29:59,991 - INFO - number of supporting files: 1
-2024-12-09 10:29:59,991 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:29:59,991 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:29:59,991 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:30:00,009 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,009 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,010 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:30:00,010 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,012 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,013 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,013 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,013 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:30:00,013 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:30:00,013 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:30:00,030 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,031 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,031 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:30:00,031 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,031 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,031 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,033 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,033 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,033 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:30:00,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:30:00,033 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:30:00,049 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,050 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,050 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:30:00,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,052 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,052 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,052 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:30:00,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:30:00,052 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:30:00,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,069 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,069 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:30:00,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,072 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,072 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:30:00,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:30:00,072 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:30:00,089 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,089 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,089 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:30:00,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,091 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,091 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:30:00,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:30:00,091 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:30:00,108 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,108 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,108 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:30:00,108 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,109 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,109 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,111 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,111 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,111 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:30:00,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:30:00,111 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:30:00,127 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,127 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,127 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:30:00,127 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,127 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,128 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,129 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,129 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,129 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:30:00,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:30:00,130 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:30:00,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,146 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,146 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:30:00,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,146 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,146 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,148 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,148 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:30:00,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:30:00,148 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:30:00,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,165 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,165 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:30:00,166 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:30:00,166 - INFO - problem_instance short name: be_0
-2024-12-09 10:30:00,166 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,166 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:30:00,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,168 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,168 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:30:00,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:30:00,168 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:30:00,185 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,186 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,186 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:30:00,186 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:30:00,186 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,186 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:30:00,187 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,188 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,188 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,188 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:30:00,188 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:30:00,188 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:30:00,205 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,205 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,205 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:30:00,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:30:00,206 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,206 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:30:00,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,207 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,207 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:30:00,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:30:00,207 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:30:00,224 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,224 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,225 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:30:00,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:30:00,225 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,225 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:30:00,225 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:30:00,225 - INFO - problem_instance short name: f2_0
-2024-12-09 10:30:00,225 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,225 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:30:00,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,227 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,227 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:30:00,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:30:00,227 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:30:00,243 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,243 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,244 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:30:00,244 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:30:00,244 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,244 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:30:00,245 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,245 - INFO - number of orbitals:  110
-2024-12-09 10:30:00,245 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,245 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,245 - INFO - moving on ...
-2024-12-09 10:30:00,245 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:30:00,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,247 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,247 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,247 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:30:00,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:30:00,247 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:30:00,263 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,264 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,264 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:30:00,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:30:00,264 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,264 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:30:00,264 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:30:00,264 - INFO - problem_instance short name: n2_0
-2024-12-09 10:30:00,264 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,264 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:30:00,266 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,266 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,266 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:30:00,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:30:00,266 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:30:00,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,283 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,283 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:30:00,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:30:00,283 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,283 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:30:00,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,284 - INFO - number of orbitals:  110
-2024-12-09 10:30:00,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,285 - INFO - moving on ...
-2024-12-09 10:30:00,285 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:30:00,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,286 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,286 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,286 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:30:00,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:30:00,286 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:30:00,304 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,305 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,305 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:30:00,305 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:30:00,305 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,305 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:30:00,305 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:30:00,305 - INFO - problem_instance short name: fe_red
-2024-12-09 10:30:00,305 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,305 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:30:00,305 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,306 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,306 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,307 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,307 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,308 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,308 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:30:00,308 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:30:00,308 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:30:00,324 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,324 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,324 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:30:00,325 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,325 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,325 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,327 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,327 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,327 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:30:00,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:30:00,327 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:30:00,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,343 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,343 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:30:00,344 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,344 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,344 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,346 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,346 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,346 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:30:00,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:30:00,346 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:30:00,362 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,363 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,363 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:30:00,363 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,363 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,363 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,365 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,365 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,365 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:30:00,365 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:30:00,365 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:30:00,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,381 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,382 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:30:00,382 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,382 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,382 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,384 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,384 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,384 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:30:00,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:30:00,384 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:30:00,401 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,401 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,401 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:30:00,401 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,401 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,403 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,403 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,403 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:30:00,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:30:00,404 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:30:00,420 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,420 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,421 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:30:00,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,423 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,423 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,423 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:30:00,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:30:00,423 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:30:00,439 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,440 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,440 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:30:00,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,440 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,440 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,442 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,443 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,443 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:30:00,443 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:30:00,443 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:30:00,460 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,461 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,461 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:30:00,461 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:00,461 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:00,461 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:00,462 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,463 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,463 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,463 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:30:00,463 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:30:00,464 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:30:00,481 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,481 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,481 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:30:00,481 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:30:00,481 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:30:00,481 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,481 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:30:00,483 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,483 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,483 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,483 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:30:00,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:30:00,483 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:30:00,499 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,500 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,500 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:30:00,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:30:00,500 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,500 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:30:00,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,502 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,502 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,502 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 10:30:00,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 10:30:00,502 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 10:30:00,517 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,518 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,518 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 10:30:00,518 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 10:30:00,518 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,518 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:30:00,518 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:30:00,518 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:30:00,518 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,518 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:30:00,520 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,520 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,520 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,520 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:30:00,520 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:30:00,520 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:30:00,537 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,537 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,538 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:30:00,538 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:30:00,538 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,538 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:30:00,538 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:30:00,538 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:30:00,538 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,538 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:30:00,540 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,540 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,540 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,540 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:30:00,540 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:30:00,540 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:30:00,557 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,557 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,557 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:30:00,558 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:30:00,558 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:30:00,558 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,558 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:30:00,559 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,559 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,559 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,559 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:30:00,559 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:30:00,559 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:30:00,576 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,576 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,577 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:30:00,577 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:30:00,577 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,577 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:30:00,579 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,579 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,579 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,579 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:30:00,579 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:30:00,579 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:30:00,598 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,599 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,599 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:30:00,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:30:00,599 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,599 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:30:00,599 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:30:00,599 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:30:00,599 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,599 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:30:00,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,601 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,601 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,601 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:30:00,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:30:00,601 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:30:00,618 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,618 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,619 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:30:00,619 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:30:00,619 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,619 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:30:00,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,620 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,620 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,620 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 10:30:00,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 10:30:00,621 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 10:30:00,637 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,637 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,637 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 10:30:00,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 10:30:00,637 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,637 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:30:00,637 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:30:00,637 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:30:00,638 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,638 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:30:00,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,639 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,639 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,639 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:30:00,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:30:00,639 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:30:00,655 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,656 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,656 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:30:00,656 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:30:00,656 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:30:00,656 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,656 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:30:00,657 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,658 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,658 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,658 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:30:00,658 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:30:00,658 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:30:00,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,675 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,675 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:30:00,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:30:00,675 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,675 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:30:00,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,677 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,677 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,677 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 10:30:00,677 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 10:30:00,677 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 10:30:00,695 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,696 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,696 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 10:30:00,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 10:30:00,696 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,696 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:30:00,696 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:30:00,696 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:30:00,696 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,696 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:30:00,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,698 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,698 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,698 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:30:00,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:30:00,698 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:30:00,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,715 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,715 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:30:00,715 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:30:00,715 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,715 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:30:00,717 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,717 - INFO - number of orbitals:  106
-2024-12-09 10:30:00,717 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,717 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,717 - INFO - moving on ...
-2024-12-09 10:30:00,717 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:30:00,717 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:30:00,717 - INFO - problem_instance short name: p2_0
-2024-12-09 10:30:00,717 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,717 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:30:00,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,719 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,719 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,719 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:30:00,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:30:00,719 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:30:00,736 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,736 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,736 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:30:00,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:30:00,736 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,736 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:30:00,738 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,738 - INFO - number of orbitals:  118
-2024-12-09 10:30:00,738 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,738 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,738 - INFO - moving on ...
-2024-12-09 10:30:00,738 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:30:00,739 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,739 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,740 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,740 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:30:00,740 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:30:00,740 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:30:00,756 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,757 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,757 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:30:00,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:30:00,757 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,757 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:30:00,757 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:30:00,757 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:30:00,757 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,758 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:30:00,759 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,759 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,759 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,759 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:30:00,759 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:30:00,759 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:30:00,776 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,776 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,777 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:30:00,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:30:00,777 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,777 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:30:00,778 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,778 - INFO - number of orbitals:  114
-2024-12-09 10:30:00,778 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,778 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,778 - INFO - moving on ...
-2024-12-09 10:30:00,779 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:30:00,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,780 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,780 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,780 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:30:00,780 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:30:00,780 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:30:00,797 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,798 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,798 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:30:00,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:30:00,798 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,798 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:30:00,798 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:30:00,798 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:30:00,798 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,798 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:30:00,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,800 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,800 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,800 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:30:00,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:30:00,800 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:30:00,817 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,818 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,818 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:30:00,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:30:00,818 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,818 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:30:00,819 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,820 - INFO - number of orbitals:  115
-2024-12-09 10:30:00,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:00,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:00,820 - INFO - moving on ...
-2024-12-09 10:30:00,820 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:30:00,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,822 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,822 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:30:00,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:30:00,822 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:30:00,839 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,839 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,839 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:30:00,839 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:30:00,839 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,839 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:30:00,839 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:30:00,839 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:30:00,839 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,840 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:30:00,841 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,841 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,841 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,841 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:30:00,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:30:00,841 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:30:00,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,858 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,858 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:30:00,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:30:00,858 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,858 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:30:00,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,860 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,860 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,860 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:30:00,860 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:30:00,860 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:30:00,876 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,877 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,877 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:30:00,877 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:30:00,877 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,877 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:30:00,877 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:30:00,877 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:30:00,877 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,877 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:30:00,879 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,879 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,879 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,879 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:30:00,879 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:30:00,879 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:30:00,896 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,896 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,896 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:30:00,896 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:30:00,896 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,896 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:30:00,897 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:30:00,897 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:30:00,897 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,897 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:30:00,898 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,898 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,898 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,898 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:30:00,898 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:30:00,898 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:30:00,915 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,915 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,916 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:30:00,916 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:30:00,916 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:30:00,916 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,916 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:30:00,917 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,917 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,918 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,918 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:30:00,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:30:00,918 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:30:00,934 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,934 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,935 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:30:00,935 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:30:00,935 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,935 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:30:00,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,936 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,936 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,936 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 10:30:00,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 10:30:00,936 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 10:30:00,953 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,953 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,953 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 10:30:00,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 10:30:00,954 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,954 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:30:00,954 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:30:00,954 - INFO - problem_instance short name: V_1
-2024-12-09 10:30:00,954 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,954 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:30:00,955 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,955 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,955 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,955 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:30:00,955 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:30:00,956 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:30:00,971 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,972 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,972 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:30:00,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:30:00,972 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,972 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:30:00,973 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,974 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,974 - INFO - number of supporting files: 2
-2024-12-09 10:30:00,974 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 10:30:00,974 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 10:30:00,974 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 10:30:00,990 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:00,990 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 10:30:00,990 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 10:30:00,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 10:30:00,990 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:00,990 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:30:00,991 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:30:00,991 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:30:00,991 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:00,991 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:30:00,992 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:00,992 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:00,992 - INFO - number of supporting files: 1
-2024-12-09 10:30:00,992 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:30:00,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:30:00,992 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:30:01,008 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,009 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,009 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:30:01,009 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:30:01,009 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:30:01,009 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,009 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:30:01,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,011 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,011 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,011 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:30:01,011 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:30:01,011 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:30:01,028 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,029 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,029 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:30:01,029 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:30:01,029 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,029 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:30:01,030 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,031 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,031 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,031 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 10:30:01,031 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 10:30:01,031 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 10:30:01,047 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,048 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,048 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 10:30:01,048 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 10:30:01,048 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,048 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:30:01,048 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:30:01,048 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:30:01,048 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,048 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:30:01,049 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,050 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,050 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,050 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:30:01,050 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:30:01,050 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:30:01,066 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,066 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,066 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:30:01,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:30:01,066 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,066 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:30:01,067 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:30:01,067 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:30:01,067 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,067 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:30:01,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,068 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,068 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:30:01,068 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:30:01,068 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:30:01,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,084 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,084 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:30:01,084 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:30:01,084 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:30:01,084 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,084 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:30:01,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,086 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,086 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,086 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:30:01,086 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:30:01,086 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:30:01,102 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,102 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,102 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:30:01,102 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:30:01,103 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,103 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:30:01,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,104 - INFO - number of orbitals:  116
-2024-12-09 10:30:01,104 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,104 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,104 - INFO - moving on ...
-2024-12-09 10:30:01,104 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:30:01,104 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:30:01,104 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:30:01,105 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,105 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:30:01,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,106 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,106 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,106 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:30:01,106 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:30:01,106 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:30:01,122 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,122 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,122 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:30:01,122 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:30:01,122 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,122 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:30:01,124 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,124 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,124 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,124 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 10:30:01,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 10:30:01,124 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 10:30:01,141 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,142 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,142 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 10:30:01,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 10:30:01,142 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,142 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:30:01,142 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:30:01,142 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:30:01,142 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,143 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:30:01,144 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,144 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,144 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,144 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:30:01,144 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:30:01,144 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:30:01,161 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,162 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,162 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:30:01,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:30:01,162 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,162 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:30:01,163 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,164 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,164 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,164 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 10:30:01,164 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 10:30:01,164 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 10:30:01,181 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,181 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,181 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 10:30:01,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 10:30:01,181 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,181 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:30:01,182 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:30:01,182 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:30:01,182 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,182 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:30:01,183 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,183 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,183 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,183 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:30:01,183 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:30:01,184 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:30:01,200 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,201 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,201 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:30:01,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:30:01,201 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,201 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:30:01,202 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,203 - INFO - number of orbitals:  110
-2024-12-09 10:30:01,203 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,203 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,203 - INFO - moving on ...
-2024-12-09 10:30:01,203 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:30:01,204 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,204 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,205 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,205 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:30:01,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:30:01,205 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:30:01,221 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,221 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,221 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:30:01,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:30:01,221 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,222 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:30:01,222 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:30:01,222 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:30:01,222 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,222 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:30:01,223 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,223 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,223 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,223 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:30:01,223 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:30:01,223 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:30:01,240 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,240 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,240 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:30:01,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:30:01,240 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,240 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:30:01,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,242 - INFO - number of orbitals:  135
-2024-12-09 10:30:01,242 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,242 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,242 - INFO - moving on ...
-2024-12-09 10:30:01,242 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:30:01,243 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,243 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,243 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,243 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 10:30:01,243 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 10:30:01,243 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 10:30:01,260 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,260 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,260 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 10:30:01,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 10:30:01,260 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,261 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:30:01,261 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:30:01,261 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:30:01,261 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,261 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:30:01,262 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,262 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,262 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,263 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:30:01,263 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:30:01,263 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:30:01,279 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,279 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,280 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:30:01,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:30:01,280 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,280 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:30:01,281 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,281 - INFO - number of orbitals:  119
-2024-12-09 10:30:01,281 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,281 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,281 - INFO - moving on ...
-2024-12-09 10:30:01,281 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:30:01,282 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,283 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,283 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,283 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:30:01,283 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:30:01,283 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:30:01,299 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,300 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,300 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:30:01,300 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:30:01,300 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,300 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:30:01,300 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:30:01,300 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:30:01,300 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,300 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:30:01,301 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,302 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,302 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,302 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:30:01,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:30:01,302 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:30:01,318 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,319 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,319 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:30:01,319 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:30:01,319 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,319 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:30:01,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,321 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,321 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,321 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:30:01,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:30:01,321 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:30:01,337 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,338 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,338 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:30:01,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:30:01,338 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,338 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:30:01,338 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:30:01,338 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:30:01,338 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,338 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:30:01,340 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,340 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,340 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,340 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:30:01,340 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:30:01,340 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:30:01,357 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,357 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,357 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:30:01,357 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:30:01,357 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,357 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:30:01,358 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:30:01,358 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:30:01,358 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,358 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:30:01,359 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,359 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,359 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,359 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:30:01,359 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:30:01,360 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:30:01,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,381 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,382 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:30:01,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:30:01,382 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,382 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:30:01,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,383 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,384 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,384 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 10:30:01,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 10:30:01,384 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 10:30:01,404 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,405 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,405 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 10:30:01,405 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 10:30:01,405 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,405 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:30:01,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,407 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,407 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,407 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:30:01,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:30:01,407 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:30:01,427 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,428 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,428 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:30:01,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:30:01,428 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,428 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:30:01,428 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:30:01,428 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:30:01,429 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,429 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:30:01,430 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,431 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,431 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:30:01,431 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:30:01,431 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:30:01,451 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,452 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,452 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:30:01,452 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:30:01,452 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,452 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:30:01,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,454 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,454 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,454 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-09 10:30:01,454 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
-2024-12-09 10:30:01,454 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
-2024-12-09 10:30:01,474 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,475 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,475 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
-2024-12-09 10:30:01,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
-2024-12-09 10:30:01,475 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,475 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:30:01,475 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:30:01,475 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:30:01,475 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,475 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:30:01,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,477 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,477 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,477 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:30:01,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:30:01,477 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:30:01,495 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,495 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,495 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:30:01,496 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:30:01,496 - INFO - problem_instance short name: O_0
-2024-12-09 10:30:01,496 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,496 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:30:01,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,497 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,497 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,497 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:30:01,497 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:30:01,497 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:30:01,513 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,513 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,514 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:30:01,514 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:30:01,514 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,514 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:30:01,515 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,516 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,516 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,516 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:30:01,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:30:01,516 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:30:01,532 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,533 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,533 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:30:01,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:30:01,533 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,533 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:30:01,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,534 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,535 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:30:01,535 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:30:01,535 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:30:01,550 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,551 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,551 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:30:01,551 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:30:01,551 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,551 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:30:01,551 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:30:01,551 - INFO - problem_instance short name: ozone
-2024-12-09 10:30:01,551 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,551 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:30:01,551 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,552 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,552 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,554 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,554 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,554 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:30:01,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:30:01,554 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:30:01,570 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,571 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,571 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:30:01,571 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,571 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,571 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,573 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,573 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:30:01,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:30:01,573 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:30:01,590 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,590 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,591 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:30:01,591 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,591 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,591 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,592 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,593 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,593 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,593 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 10:30:01,593 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 10:30:01,593 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 10:30:01,610 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,610 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,610 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:30:01,610 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,611 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,611 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,612 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,613 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,613 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,613 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:30:01,613 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:30:01,613 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:30:01,631 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,631 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,631 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:30:01,632 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,632 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,632 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,634 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,634 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,635 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,635 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:30:01,635 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:30:01,635 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:30:01,654 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,654 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,654 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:30:01,654 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,655 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,655 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,657 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,657 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,657 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 10:30:01,657 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 10:30:01,657 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 10:30:01,673 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,674 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,674 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:30:01,674 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:30:01,674 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:30:01,674 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,674 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:30:01,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,676 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,676 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,676 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:30:01,676 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:30:01,676 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:30:01,692 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,693 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,693 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:30:01,693 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:30:01,693 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,693 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:30:01,694 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,694 - INFO - number of orbitals:  115
-2024-12-09 10:30:01,695 - INFO - too many orbitals!  we are only considering max_num_orbitals 100.
-2024-12-09 10:30:01,695 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:01,695 - INFO - moving on ...
-2024-12-09 10:30:01,695 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:30:01,696 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,696 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,696 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,696 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:30:01,696 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:30:01,696 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:30:01,713 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,713 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,713 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:30:01,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:30:01,713 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,713 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:30:01,714 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:30:01,714 - INFO - problem_instance short name: VO_0
-2024-12-09 10:30:01,714 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,714 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:30:01,715 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,715 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,715 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,715 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:30:01,716 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:30:01,716 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:30:01,733 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,733 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,733 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:30:01,733 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:30:01,733 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,733 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:30:01,734 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:30:01,734 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:30:01,734 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,734 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:30:01,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,735 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,735 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:30:01,735 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:30:01,735 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:30:01,752 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,754 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,754 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:30:01,754 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:30:01,754 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:30:01,754 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,754 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:30:01,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,757 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,757 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,757 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:30:01,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:30:01,757 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:30:01,773 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,774 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,774 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:30:01,774 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,774 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,774 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,775 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,776 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,776 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,776 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:30:01,776 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:30:01,776 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:30:01,793 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,793 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,793 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:30:01,793 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,794 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,794 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,795 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,796 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,796 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,796 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:30:01,796 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:30:01,796 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:30:01,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,813 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,814 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:30:01,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,815 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,816 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,816 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:30:01,816 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:30:01,816 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:30:01,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,833 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,833 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:30:01,833 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,833 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,833 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,834 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,835 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,835 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,835 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:30:01,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:30:01,835 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:30:01,852 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,853 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,853 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:30:01,853 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,853 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,853 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,855 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,855 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:30:01,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:30:01,855 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:30:01,872 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,872 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,872 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:30:01,873 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:30:01,873 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:30:01,873 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,873 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:30:01,873 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,873 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,873 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,874 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,875 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,875 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,875 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:30:01,875 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:30:01,875 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:30:01,891 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,892 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,892 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:30:01,892 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,892 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,892 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,893 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,894 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,894 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,894 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:30:01,894 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:30:01,894 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:30:01,911 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,912 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,912 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:30:01,912 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,912 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,912 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,913 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,914 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,914 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,914 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:30:01,914 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:30:01,914 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:30:01,930 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,930 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,930 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:30:01,931 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:30:01,931 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:30:01,931 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,931 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:30:01,932 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,932 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,932 - INFO - number of supporting files: 2
-2024-12-09 10:30:01,932 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:30:01,932 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:30:01,932 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:30:01,949 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,949 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,949 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:30:01,950 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:30:01,950 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:01,950 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:30:01,950 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:30:01,950 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:30:01,950 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:30:01,950 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:30:01,950 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,951 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,951 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,953 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,953 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:30:01,953 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:30:01,953 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:30:01,969 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,970 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,970 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:30:01,970 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,970 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,970 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,972 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,972 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,972 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:30:01,972 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:30:01,973 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:30:01,989 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:01,990 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:30:01,990 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:30:01,990 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:01,990 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:01,990 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:01,991 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:01,992 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:01,992 - INFO - number of supporting files: 1
-2024-12-09 10:30:01,992 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:30:01,992 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:30:01,992 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:30:02,009 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,009 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,009 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:30:02,009 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,010 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,010 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,011 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,012 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,012 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,012 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:30:02,012 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:30:02,012 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:30:02,030 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,030 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,030 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:30:02,030 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,030 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,030 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,032 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,032 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,033 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,033 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:30:02,033 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:30:02,033 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:30:02,050 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,050 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,050 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:30:02,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,051 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,051 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,052 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,053 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,053 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:30:02,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:30:02,053 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:30:02,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,069 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,069 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:30:02,070 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,070 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,070 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,071 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,072 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,072 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:30:02,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:30:02,072 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:30:02,088 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,089 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,089 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:30:02,089 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,089 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,089 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,090 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,091 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,091 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:30:02,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:30:02,091 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:30:02,108 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,108 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,108 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:30:02,108 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,109 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,109 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,111 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,111 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,111 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:30:02,111 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:30:02,111 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:30:02,128 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,128 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,128 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:30:02,128 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,128 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,128 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,130 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,130 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,131 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,131 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:30:02,131 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:30:02,131 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:30:02,147 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,148 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,148 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:30:02,148 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,148 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,148 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,149 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,150 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,150 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,150 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:30:02,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:30:02,150 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:30:02,167 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,168 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,168 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:30:02,168 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,168 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,168 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,169 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,170 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,170 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,170 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:30:02,170 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:30:02,170 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:30:02,187 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,187 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,187 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:30:02,188 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,188 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,188 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,189 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,190 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,190 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:30:02,190 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:30:02,190 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:30:02,207 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,207 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,207 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:30:02,207 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,207 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,207 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,209 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,209 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,209 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,209 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:30:02,209 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:30:02,210 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:30:02,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,226 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,226 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:30:02,226 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,226 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,226 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,228 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,228 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,228 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:30:02,228 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:30:02,228 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:30:02,245 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,245 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,245 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:30:02,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,246 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,246 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,248 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,248 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,248 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:30:02,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:30:02,248 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:30:02,265 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,265 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,265 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:30:02,266 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:30:02,266 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:30:02,266 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,266 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:30:02,267 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,267 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,267 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,267 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:30:02,267 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:30:02,267 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:30:02,284 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,285 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,285 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:30:02,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:30:02,285 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,285 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:30:02,286 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,286 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,286 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,286 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 10:30:02,286 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 10:30:02,287 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 10:30:02,303 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,303 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,304 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 10:30:02,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 10:30:02,304 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,304 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:30:02,304 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:30:02,304 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:30:02,304 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,304 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:30:02,305 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,306 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,306 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,306 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:30:02,306 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:30:02,306 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:30:02,323 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,323 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,323 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:30:02,323 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:30:02,323 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,323 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:30:02,325 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,325 - INFO - number of orbitals:  118
-2024-12-09 10:30:02,325 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:02,325 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:02,325 - INFO - moving on ...
-2024-12-09 10:30:02,325 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:30:02,326 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,326 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,326 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,326 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:30:02,327 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:30:02,327 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:30:02,343 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,343 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,344 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:30:02,344 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:30:02,344 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,344 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:30:02,344 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:30:02,344 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:30:02,344 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,344 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:30:02,345 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,345 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,346 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,346 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:30:02,346 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:30:02,346 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:30:02,362 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,363 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,363 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:30:02,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:30:02,363 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,363 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:30:02,364 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,364 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,364 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,364 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:30:02,364 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:30:02,365 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:30:02,381 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,381 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,381 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:30:02,381 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:30:02,382 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,382 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:30:02,382 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:30:02,382 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:30:02,382 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,382 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:30:02,383 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,383 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,383 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,384 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:30:02,384 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:30:02,384 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,400 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,400 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,401 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:30:02,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:30:02,401 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,401 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:30:02,401 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:30:02,401 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:30:02,401 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,401 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:30:02,401 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,402 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,402 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,403 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,403 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,404 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,404 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:30:02,404 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:30:02,404 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:30:02,420 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,421 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,421 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:30:02,421 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,421 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,421 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,422 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,423 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,423 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,423 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:30:02,423 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:30:02,423 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:30:02,439 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,440 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,440 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:30:02,440 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,440 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,440 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,441 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,442 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,442 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,442 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:30:02,442 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:30:02,442 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,458 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,458 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,459 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:30:02,459 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,459 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,459 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,460 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,461 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,461 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,461 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:30:02,461 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:30:02,461 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,476 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,477 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,477 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:30:02,477 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,477 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,477 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,478 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,479 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,479 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,479 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:30:02,479 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:30:02,479 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:30:02,495 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,496 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,496 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:30:02,496 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,496 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,496 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,498 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,498 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,498 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,498 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:30:02,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:30:02,499 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:30:02,514 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,515 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,515 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:30:02,515 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,515 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,515 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,516 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,517 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,517 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:30:02,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:30:02,517 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:30:02,533 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,533 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,533 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:30:02,533 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,533 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,534 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,535 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,535 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,535 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,535 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:30:02,536 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:30:02,536 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:30:02,551 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,552 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,552 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:30:02,552 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,552 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,552 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,554 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,554 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,554 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:30:02,554 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:30:02,554 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:30:02,570 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,571 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,571 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:30:02,571 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,571 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,571 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,572 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,573 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,573 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,573 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:30:02,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:30:02,573 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:30:02,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,590 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,590 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:30:02,590 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,590 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,590 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,592 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,592 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,592 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:30:02,592 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:30:02,592 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,608 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,609 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,609 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:30:02,609 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,609 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,609 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,611 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,611 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,611 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:30:02,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:30:02,611 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:30:02,628 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,628 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,628 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:30:02,629 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:30:02,629 - INFO - problem_instance short name: benzene
-2024-12-09 10:30:02,629 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,629 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:30:02,629 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,629 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,629 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,631 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,631 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,631 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:30:02,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:30:02,631 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:30:02,647 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,648 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,648 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:30:02,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,650 - INFO - number of orbitals:  108
-2024-12-09 10:30:02,650 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:02,650 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:02,650 - INFO - moving on ...
-2024-12-09 10:30:02,650 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:30:02,650 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:30:02,650 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:30:02,651 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,651 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:30:02,652 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,652 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,652 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,652 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:30:02,652 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:30:02,652 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:30:02,669 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,669 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,669 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:30:02,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:30:02,670 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,670 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:30:02,671 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,671 - INFO - number of orbitals:  135
-2024-12-09 10:30:02,671 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:02,671 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:02,671 - INFO - moving on ...
-2024-12-09 10:30:02,671 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:30:02,673 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,673 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,673 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,673 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:30:02,673 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:30:02,673 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:30:02,689 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,690 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,690 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:30:02,690 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:30:02,690 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,690 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:30:02,690 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:30:02,690 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:30:02,690 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,690 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:30:02,692 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,692 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,692 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,692 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:30:02,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:30:02,692 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:30:02,708 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,709 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,709 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:30:02,709 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:30:02,709 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,709 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:30:02,710 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,711 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,711 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,711 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:30:02,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:30:02,711 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:30:02,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,728 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,728 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:30:02,728 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:30:02,728 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,728 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:30:02,728 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:30:02,728 - INFO - problem_instance short name: V_0
-2024-12-09 10:30:02,728 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,728 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:30:02,729 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,730 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,730 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,730 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:30:02,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:30:02,730 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:30:02,746 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,747 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,747 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:30:02,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:30:02,747 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,747 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:30:02,748 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,749 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,749 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,749 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:30:02,749 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:30:02,749 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:30:02,765 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,766 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,766 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:30:02,766 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:30:02,766 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,766 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:30:02,766 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:30:02,766 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:30:02,766 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,766 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:30:02,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,768 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,768 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,768 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:30:02,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:30:02,768 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:30:02,785 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,785 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,785 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:30:02,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:30:02,785 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,785 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:30:02,785 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:30:02,785 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:30:02,786 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,786 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:30:02,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,787 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,787 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,787 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:30:02,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:30:02,787 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:30:02,804 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,804 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,804 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:30:02,804 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:30:02,804 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,804 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:30:02,804 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:30:02,804 - INFO - problem_instance short name: na2_0
-2024-12-09 10:30:02,805 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,805 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:30:02,806 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,806 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,806 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,806 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:30:02,806 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:30:02,806 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:30:02,823 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,823 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,823 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:30:02,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:30:02,824 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,824 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:30:02,825 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,825 - INFO - number of orbitals:  118
-2024-12-09 10:30:02,825 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:02,825 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:02,825 - INFO - moving on ...
-2024-12-09 10:30:02,825 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:30:02,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,827 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,827 - INFO - number of supporting files: 2
-2024-12-09 10:30:02,827 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:30:02,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:30:02,827 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:30:02,843 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,844 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,844 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:30:02,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:30:02,844 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:02,844 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:30:02,844 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:30:02,844 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:30:02,844 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:30:02,844 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:30:02,844 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,844 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,846 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,846 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,847 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:30:02,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:30:02,847 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,863 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,863 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,863 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:30:02,864 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,864 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,864 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,866 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,866 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,866 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:30:02,866 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:30:02,866 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:30:02,882 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,883 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,883 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:30:02,883 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,883 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,883 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,885 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,885 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,885 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:30:02,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:30:02,885 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:30:02,902 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,902 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,902 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:30:02,902 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,902 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,902 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,904 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,904 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,904 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,904 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:30:02,904 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:30:02,905 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:30:02,921 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,921 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,922 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:30:02,922 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,922 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,922 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,923 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,924 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,924 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,924 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:30:02,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:30:02,924 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:30:02,940 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,941 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,941 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:30:02,941 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,941 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,941 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,942 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,943 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,943 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,943 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:30:02,943 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:30:02,943 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:30:02,960 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,960 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,960 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:30:02,960 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,961 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,961 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,962 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,963 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,963 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,963 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:30:02,963 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:30:02,963 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:30:02,979 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,980 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,980 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:30:02,980 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:02,980 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:02,980 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:02,981 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:02,982 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:02,982 - INFO - number of supporting files: 1
-2024-12-09 10:30:02,982 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:30:02,982 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:30:02,982 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:30:02,999 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:02,999 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:02,999 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:30:02,999 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:30:02,999 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:30:02,999 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,000 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:30:03,001 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,001 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,001 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,001 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:30:03,001 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:30:03,001 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:30:03,018 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,018 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,018 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:30:03,018 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:30:03,018 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,018 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:30:03,019 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:30:03,019 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:30:03,019 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,019 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:30:03,020 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,020 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,020 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,020 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:30:03,020 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:30:03,020 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:30:03,037 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,037 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,037 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:30:03,037 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:30:03,037 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,037 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:30:03,039 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,039 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,039 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,039 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:30:03,039 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:30:03,039 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:30:03,056 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,056 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,056 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:30:03,056 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:30:03,056 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,057 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:30:03,057 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:30:03,057 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:30:03,057 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,057 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:30:03,058 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,058 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,058 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,059 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:30:03,059 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:30:03,059 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:30:03,075 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,076 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,076 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:30:03,076 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:30:03,076 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,076 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:30:03,077 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,077 - INFO - number of orbitals:  119
-2024-12-09 10:30:03,077 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,077 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,078 - INFO - moving on ...
-2024-12-09 10:30:03,078 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:30:03,079 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,079 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,079 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,079 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:30:03,079 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:30:03,079 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:30:03,095 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,096 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,096 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:30:03,096 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:30:03,096 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,096 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:30:03,096 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:30:03,096 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:30:03,096 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,096 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:30:03,098 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,098 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,098 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,098 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:30:03,098 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:30:03,098 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:30:03,115 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,115 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,115 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:30:03,115 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:30:03,115 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,115 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:30:03,117 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,117 - INFO - number of orbitals:  135
-2024-12-09 10:30:03,117 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,117 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,117 - INFO - moving on ...
-2024-12-09 10:30:03,117 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:30:03,118 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,118 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,118 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,118 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:30:03,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:30:03,119 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:30:03,135 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,135 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,136 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:30:03,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:30:03,136 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,136 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:30:03,136 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:30:03,136 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:30:03,136 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,136 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:30:03,137 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,138 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,138 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,138 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:30:03,138 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:30:03,138 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:30:03,154 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,155 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,155 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:30:03,155 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:30:03,155 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,155 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:30:03,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,157 - INFO - number of orbitals:  118
-2024-12-09 10:30:03,157 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,157 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,157 - INFO - moving on ...
-2024-12-09 10:30:03,157 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:30:03,158 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,158 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,158 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,158 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:30:03,158 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:30:03,158 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:30:03,175 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,175 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,175 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:30:03,175 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:30:03,176 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,176 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:30:03,176 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:30:03,176 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:30:03,176 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,176 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:30:03,177 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,178 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,178 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,178 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:30:03,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:30:03,178 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:30:03,195 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,195 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,195 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:30:03,195 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:30:03,196 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,196 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:30:03,197 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,197 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,197 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,197 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:30:03,197 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:30:03,197 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:30:03,214 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,214 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,214 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:30:03,214 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:30:03,215 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,215 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:30:03,215 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:30:03,215 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:30:03,215 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,215 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:30:03,216 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,216 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,216 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,216 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:30:03,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:30:03,217 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:30:03,233 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,233 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,233 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:30:03,233 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:30:03,234 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,234 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:30:03,235 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,235 - INFO - number of orbitals:  110
-2024-12-09 10:30:03,235 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,235 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,235 - INFO - moving on ...
-2024-12-09 10:30:03,235 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 10:30:03,236 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,237 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,237 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,237 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 10:30:03,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 10:30:03,237 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 10:30:03,253 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,253 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,254 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 10:30:03,254 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 10:30:03,254 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,254 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 10:30:03,254 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 10:30:03,254 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 10:30:03,254 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,254 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 10:30:03,255 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,255 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,256 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,256 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 10:30:03,256 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 10:30:03,256 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 10:30:03,272 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,272 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,272 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 10:30:03,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 10:30:03,272 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,272 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 10:30:03,274 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,274 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,274 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,274 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 10:30:03,274 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 10:30:03,274 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 10:30:03,290 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,291 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,291 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 10:30:03,291 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 10:30:03,291 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,291 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 10:30:03,291 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 10:30:03,291 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 10:30:03,291 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,291 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 10:30:03,292 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,293 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,293 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 10:30:03,293 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 10:30:03,293 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 10:30:03,309 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,309 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,310 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 10:30:03,310 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 10:30:03,310 - INFO - problem_instance short name: Mn_0
-2024-12-09 10:30:03,310 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,310 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 10:30:03,311 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,311 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,311 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 10:30:03,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 10:30:03,312 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 10:30:03,328 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,328 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,328 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 10:30:03,328 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 10:30:03,328 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,328 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 10:30:03,330 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,330 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,330 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,330 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 10:30:03,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 10:30:03,330 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 10:30:03,346 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,346 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,347 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 10:30:03,347 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 10:30:03,347 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,347 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 10:30:03,347 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 10:30:03,347 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 10:30:03,347 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,347 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 10:30:03,348 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,348 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,348 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,349 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 10:30:03,349 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 10:30:03,349 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 10:30:03,365 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,365 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,366 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 10:30:03,366 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 10:30:03,366 - INFO - problem_instance short name: mo_n2
-2024-12-09 10:30:03,366 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,366 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 10:30:03,366 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,366 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,366 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,367 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,368 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,368 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,368 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 10:30:03,368 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 10:30:03,368 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 10:30:03,385 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,385 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,386 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 10:30:03,386 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,388 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,388 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,388 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 10:30:03,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 10:30:03,388 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 10:30:03,405 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,405 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,405 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 10:30:03,405 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,405 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,405 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,407 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,408 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,408 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,408 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 10:30:03,408 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 10:30:03,408 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 10:30:03,424 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,425 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,425 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 10:30:03,425 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,425 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,425 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,427 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,427 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,427 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,427 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 10:30:03,427 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 10:30:03,427 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 10:30:03,444 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,445 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,445 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 10:30:03,445 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 10:30:03,445 - INFO - problem_instance short name: li_h_0
-2024-12-09 10:30:03,445 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,445 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 10:30:03,446 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,447 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,447 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,447 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 10:30:03,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 10:30:03,447 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 10:30:03,463 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,464 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,464 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 10:30:03,464 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 10:30:03,464 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,464 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 10:30:03,465 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,466 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,466 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,466 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 10:30:03,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 10:30:03,466 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 10:30:03,483 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,483 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,483 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 10:30:03,483 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 10:30:03,483 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,483 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 10:30:03,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,485 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,485 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 10:30:03,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 10:30:03,485 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 10:30:03,502 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,502 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,502 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 10:30:03,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 10:30:03,502 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,502 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 10:30:03,502 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 10:30:03,503 - INFO - problem_instance short name: li2_0
-2024-12-09 10:30:03,503 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,503 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 10:30:03,504 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,504 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,504 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,504 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 10:30:03,504 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 10:30:03,504 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 10:30:03,521 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,521 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,522 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 10:30:03,522 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 10:30:03,522 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,522 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 10:30:03,523 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,523 - INFO - number of orbitals:  110
-2024-12-09 10:30:03,523 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,523 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,523 - INFO - moving on ...
-2024-12-09 10:30:03,523 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 10:30:03,525 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,525 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,525 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,525 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 10:30:03,525 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 10:30:03,525 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 10:30:03,542 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,542 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,542 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 10:30:03,542 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 10:30:03,542 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,542 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 10:30:03,542 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 10:30:03,542 - INFO - problem_instance short name: h_f_0
-2024-12-09 10:30:03,542 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,542 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 10:30:03,544 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,544 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,544 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,544 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 10:30:03,544 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 10:30:03,544 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 10:30:03,561 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,561 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,561 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 10:30:03,561 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 10:30:03,562 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,562 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 10:30:03,563 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,563 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,563 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,563 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 10:30:03,563 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 10:30:03,563 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 10:30:03,580 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,580 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,580 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 10:30:03,580 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 10:30:03,580 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,580 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 10:30:03,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,582 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,582 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 10:30:03,582 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 10:30:03,582 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 10:30:03,599 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,599 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,599 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 10:30:03,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 10:30:03,599 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,599 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 10:30:03,600 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 10:30:03,600 - INFO - problem_instance short name: Fe_0
-2024-12-09 10:30:03,600 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,600 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 10:30:03,601 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,601 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,601 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,601 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 10:30:03,601 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 10:30:03,601 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 10:30:03,618 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,618 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,618 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 10:30:03,618 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 10:30:03,618 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,618 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 10:30:03,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,620 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,620 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,620 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 10:30:03,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 10:30:03,620 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 10:30:03,636 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,637 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,637 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 10:30:03,637 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 10:30:03,637 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,637 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 10:30:03,637 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 10:30:03,637 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 10:30:03,637 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,637 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 10:30:03,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,639 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,639 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,639 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 10:30:03,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 10:30:03,639 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 10:30:03,655 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,656 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,656 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 10:30:03,656 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 10:30:03,656 - INFO - problem_instance short name: ru_macho
-2024-12-09 10:30:03,656 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,656 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 10:30:03,656 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,657 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,657 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,658 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,658 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,658 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,659 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 10:30:03,659 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 10:30:03,659 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 10:30:03,675 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,675 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,675 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 10:30:03,675 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,676 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,676 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,677 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,677 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,678 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,678 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 10:30:03,678 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 10:30:03,678 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 10:30:03,695 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,695 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,695 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 10:30:03,695 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,695 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,695 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,697 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,697 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,698 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,698 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 10:30:03,698 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 10:30:03,698 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 10:30:03,714 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,715 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,715 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 10:30:03,715 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,715 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,715 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,716 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,717 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,717 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,717 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 10:30:03,717 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 10:30:03,717 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 10:30:03,734 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,734 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,735 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 10:30:03,735 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,735 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,735 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,736 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,737 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,737 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,737 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 10:30:03,737 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 10:30:03,737 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 10:30:03,754 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,755 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,755 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 10:30:03,755 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,755 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,755 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,756 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,757 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,757 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,757 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 10:30:03,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 10:30:03,757 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 10:30:03,774 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,775 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,775 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 10:30:03,775 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,775 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,775 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,776 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,777 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,777 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,777 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 10:30:03,777 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 10:30:03,777 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 10:30:03,794 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,794 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,794 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 10:30:03,794 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,794 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,795 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,796 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,797 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,797 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,797 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 10:30:03,797 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 10:30:03,797 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 10:30:03,813 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,814 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,814 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 10:30:03,814 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:03,814 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:03,814 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:03,816 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,816 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,816 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,816 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 10:30:03,817 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 10:30:03,817 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 10:30:03,833 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,834 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,834 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 10:30:03,834 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 10:30:03,834 - INFO - problem_instance short name: Cu_1
-2024-12-09 10:30:03,834 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,834 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 10:30:03,835 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,836 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,836 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 10:30:03,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 10:30:03,836 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 10:30:03,853 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,853 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,853 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 10:30:03,853 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 10:30:03,853 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,853 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 10:30:03,854 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,855 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,855 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,855 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 10:30:03,855 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 10:30:03,855 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 10:30:03,871 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,872 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,872 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 10:30:03,872 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 10:30:03,872 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,872 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 10:30:03,872 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 10:30:03,872 - INFO - problem_instance short name: n_h3_0
-2024-12-09 10:30:03,872 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,872 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 10:30:03,873 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,874 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,874 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,874 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 10:30:03,874 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 10:30:03,874 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 10:30:03,890 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,890 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,890 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 10:30:03,890 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 10:30:03,891 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,891 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 10:30:03,892 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,892 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,892 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,892 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 10:30:03,892 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 10:30:03,892 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 10:30:03,909 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,909 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,909 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 10:30:03,909 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 10:30:03,909 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,909 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 10:30:03,910 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 10:30:03,910 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 10:30:03,910 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,910 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 10:30:03,911 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,911 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,911 - INFO - number of supporting files: 1
-2024-12-09 10:30:03,911 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 10:30:03,911 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 10:30:03,912 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 10:30:03,928 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,928 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,929 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 10:30:03,929 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 10:30:03,929 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 10:30:03,929 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,929 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 10:30:03,930 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,930 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,930 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,930 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 10:30:03,930 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 10:30:03,931 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 10:30:03,947 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,947 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,947 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 10:30:03,947 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 10:30:03,947 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,947 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 10:30:03,947 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 10:30:03,948 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 10:30:03,948 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,948 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 10:30:03,949 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,949 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,949 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,949 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 10:30:03,949 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 10:30:03,949 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 10:30:03,967 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,967 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,967 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 10:30:03,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 10:30:03,967 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,967 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 10:30:03,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,969 - INFO - number of orbitals:  116
-2024-12-09 10:30:03,969 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:03,969 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:03,969 - INFO - moving on ...
-2024-12-09 10:30:03,969 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 10:30:03,969 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 10:30:03,969 - INFO - problem_instance short name: O_1
-2024-12-09 10:30:03,970 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:03,970 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 10:30:03,971 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,971 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,971 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,971 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 10:30:03,971 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 10:30:03,971 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 10:30:03,988 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:03,988 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 10:30:03,988 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 10:30:03,988 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 10:30:03,988 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:03,988 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 10:30:03,990 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:03,990 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:03,990 - INFO - number of supporting files: 2
-2024-12-09 10:30:03,990 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 10:30:03,990 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 10:30:03,990 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 10:30:04,006 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,007 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,007 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 10:30:04,007 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 10:30:04,007 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,007 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 10:30:04,008 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,009 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,009 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,009 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 10:30:04,009 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 10:30:04,009 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 10:30:04,025 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,026 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,026 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 10:30:04,026 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 10:30:04,026 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,026 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 10:30:04,026 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 10:30:04,026 - INFO - problem_instance short name: cr_dimer
-2024-12-09 10:30:04,026 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,026 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 10:30:04,026 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,026 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,026 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,028 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,028 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,028 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,028 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 10:30:04,028 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 10:30:04,029 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 10:30:04,044 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,045 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,045 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 10:30:04,045 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,045 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,045 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,047 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,047 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,047 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 10:30:04,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 10:30:04,047 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 10:30:04,063 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,064 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,064 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 10:30:04,064 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,064 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,064 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,065 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,066 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,066 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,066 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 10:30:04,066 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 10:30:04,066 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 10:30:04,083 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,083 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,083 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 10:30:04,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,085 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,085 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 10:30:04,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 10:30:04,085 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 10:30:04,102 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,102 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,102 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 10:30:04,102 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,102 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,102 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,104 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,104 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,104 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 10:30:04,105 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 10:30:04,105 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 10:30:04,121 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,121 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,121 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 10:30:04,121 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,122 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,122 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,124 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,124 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 10:30:04,124 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 10:30:04,124 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 10:30:04,140 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,140 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,141 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 10:30:04,141 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,141 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,141 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,143 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,143 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,143 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 10:30:04,143 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 10:30:04,143 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 10:30:04,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,160 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,160 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 10:30:04,160 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,160 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,160 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,162 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,162 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,162 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 10:30:04,162 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 10:30:04,162 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 10:30:04,178 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,179 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,179 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 10:30:04,179 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,179 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,179 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,181 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,181 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 10:30:04,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 10:30:04,181 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 10:30:04,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,198 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,198 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 10:30:04,198 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,199 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,199 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,201 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,201 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,201 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 10:30:04,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 10:30:04,201 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 10:30:04,218 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,218 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,218 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 10:30:04,218 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,218 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,218 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,220 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,221 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,221 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 10:30:04,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 10:30:04,221 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 10:30:04,237 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,238 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,238 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 10:30:04,238 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,238 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,238 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,240 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,240 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,240 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 10:30:04,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 10:30:04,240 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 10:30:04,257 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,257 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,258 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 10:30:04,258 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 10:30:04,258 - INFO - problem_instance short name: be_0
-2024-12-09 10:30:04,258 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,258 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 10:30:04,259 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,259 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,259 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,260 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 10:30:04,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 10:30:04,260 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 10:30:04,276 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,277 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,277 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 10:30:04,277 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 10:30:04,277 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,277 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 10:30:04,278 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,278 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,278 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,278 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 10:30:04,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 10:30:04,279 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 10:30:04,295 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,295 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,296 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 10:30:04,296 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 10:30:04,296 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,296 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 10:30:04,297 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,297 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,297 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,297 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 10:30:04,297 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 10:30:04,297 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 10:30:04,314 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,314 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,314 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 10:30:04,314 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 10:30:04,314 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,314 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 10:30:04,315 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 10:30:04,315 - INFO - problem_instance short name: f2_0
-2024-12-09 10:30:04,315 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,315 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 10:30:04,316 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,316 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,316 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,316 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 10:30:04,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 10:30:04,317 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 10:30:04,333 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,333 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,333 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 10:30:04,334 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 10:30:04,334 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,334 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 10:30:04,335 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,335 - INFO - number of orbitals:  110
-2024-12-09 10:30:04,335 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,335 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,335 - INFO - moving on ...
-2024-12-09 10:30:04,335 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 10:30:04,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,337 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,337 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,337 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 10:30:04,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 10:30:04,337 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 10:30:04,353 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,354 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,354 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 10:30:04,354 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 10:30:04,354 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,354 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 10:30:04,354 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 10:30:04,354 - INFO - problem_instance short name: n2_0
-2024-12-09 10:30:04,354 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,354 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 10:30:04,355 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,356 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,356 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,356 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 10:30:04,356 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 10:30:04,356 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 10:30:04,372 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,373 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,373 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 10:30:04,373 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 10:30:04,373 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,373 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 10:30:04,374 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,375 - INFO - number of orbitals:  110
-2024-12-09 10:30:04,375 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,375 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,375 - INFO - moving on ...
-2024-12-09 10:30:04,375 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-09 10:30:04,376 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,376 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,376 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,376 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-09 10:30:04,376 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-09 10:30:04,376 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-09 10:30:04,393 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,393 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,393 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-09 10:30:04,393 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-09 10:30:04,393 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,393 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-09 10:30:04,394 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-09 10:30:04,394 - INFO - problem_instance short name: fe_red
-2024-12-09 10:30:04,394 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,394 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-09 10:30:04,394 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,394 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,394 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,395 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,396 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,396 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,396 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-09 10:30:04,396 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-09 10:30:04,396 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-09 10:30:04,413 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,413 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,413 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-09 10:30:04,414 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,414 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,414 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,415 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,416 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,416 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,416 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-09 10:30:04,416 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-09 10:30:04,416 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-09 10:30:04,433 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,433 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,433 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-09 10:30:04,433 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,433 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,433 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,435 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,435 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,435 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-09 10:30:04,435 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-09 10:30:04,436 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-09 10:30:04,452 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,453 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,453 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-09 10:30:04,453 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,453 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,453 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,454 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,455 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,455 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,455 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-09 10:30:04,455 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-09 10:30:04,455 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-09 10:30:04,472 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,472 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,472 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-09 10:30:04,472 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,472 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,472 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,474 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,474 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,474 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,474 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-09 10:30:04,474 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-09 10:30:04,474 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-09 10:30:04,491 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,491 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,491 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-09 10:30:04,491 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,491 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,491 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,493 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,493 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,493 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,493 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-09 10:30:04,493 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-09 10:30:04,494 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-09 10:30:04,510 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,510 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,511 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-09 10:30:04,511 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,511 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,511 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,512 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,513 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,513 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,513 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-09 10:30:04,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-09 10:30:04,513 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-09 10:30:04,529 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,530 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,530 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-09 10:30:04,530 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,530 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,530 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,531 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,532 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,532 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,532 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-09 10:30:04,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-09 10:30:04,532 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-09 10:30:04,549 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,549 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,550 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-09 10:30:04,550 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:04,550 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:04,550 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:04,551 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,552 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,552 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,552 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-09 10:30:04,552 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-09 10:30:04,552 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-09 10:30:04,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,569 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,569 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-09 10:30:04,569 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-09 10:30:04,570 - INFO - problem_instance short name: Fe_1
-2024-12-09 10:30:04,570 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,570 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-09 10:30:04,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,571 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,571 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,571 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-09 10:30:04,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-09 10:30:04,571 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-09 10:30:04,588 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,588 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,588 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-09 10:30:04,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-09 10:30:04,588 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,588 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-09 10:30:04,590 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,590 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,590 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,590 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-09 10:30:04,590 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-09 10:30:04,590 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-09 10:30:04,607 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,607 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,607 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-09 10:30:04,607 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-09 10:30:04,607 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,607 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-09 10:30:04,607 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-09 10:30:04,607 - INFO - problem_instance short name: ScO_0
-2024-12-09 10:30:04,607 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,608 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-09 10:30:04,609 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,609 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,609 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,609 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-09 10:30:04,609 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-09 10:30:04,609 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-09 10:30:04,625 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,626 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,626 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-09 10:30:04,626 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-09 10:30:04,626 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,626 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-09 10:30:04,626 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-09 10:30:04,626 - INFO - problem_instance short name: planted_solution_0003
-2024-12-09 10:30:04,626 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,626 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-09 10:30:04,628 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,628 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,628 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-09 10:30:04,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-09 10:30:04,628 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-09 10:30:04,644 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,645 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,645 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-09 10:30:04,645 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-09 10:30:04,645 - INFO - problem_instance short name: h_c_n_0
-2024-12-09 10:30:04,645 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,645 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-09 10:30:04,647 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,647 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,647 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,647 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-09 10:30:04,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-09 10:30:04,647 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-09 10:30:04,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,664 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,664 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-09 10:30:04,664 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-09 10:30:04,664 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,664 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-09 10:30:04,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,666 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,666 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,666 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-09 10:30:04,666 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-09 10:30:04,666 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-09 10:30:04,682 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,683 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,683 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-09 10:30:04,683 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-09 10:30:04,683 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,683 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-09 10:30:04,683 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-09 10:30:04,683 - INFO - problem_instance short name: si_h4_0
-2024-12-09 10:30:04,683 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,683 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-09 10:30:04,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,685 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,685 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,685 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-09 10:30:04,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-09 10:30:04,685 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-09 10:30:04,702 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,702 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,702 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-09 10:30:04,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-09 10:30:04,702 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,702 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-09 10:30:04,704 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,704 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,704 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,704 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-09 10:30:04,704 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-09 10:30:04,704 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-09 10:30:04,721 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,721 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,721 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-09 10:30:04,721 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-09 10:30:04,721 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,722 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-09 10:30:04,722 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-09 10:30:04,722 - INFO - problem_instance short name: planted_solution_0009
-2024-12-09 10:30:04,722 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,722 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-09 10:30:04,723 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,723 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,723 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,723 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-09 10:30:04,723 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-09 10:30:04,724 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-09 10:30:04,740 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,741 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,741 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-09 10:30:04,741 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-09 10:30:04,741 - INFO - problem_instance short name: Mn_1
-2024-12-09 10:30:04,741 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,741 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-09 10:30:04,742 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,743 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,743 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,743 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-09 10:30:04,743 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-09 10:30:04,743 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-09 10:30:04,759 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,760 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,760 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-09 10:30:04,760 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-09 10:30:04,760 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,760 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-09 10:30:04,761 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,761 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,761 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,762 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-09 10:30:04,762 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-09 10:30:04,762 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-09 10:30:04,778 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,778 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,779 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-09 10:30:04,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-09 10:30:04,779 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,779 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-09 10:30:04,779 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-09 10:30:04,779 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-09 10:30:04,779 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,779 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-09 10:30:04,780 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,781 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,781 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,781 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-09 10:30:04,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-09 10:30:04,781 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-09 10:30:04,798 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,798 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,798 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-09 10:30:04,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-09 10:30:04,798 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,798 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-09 10:30:04,799 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,800 - INFO - number of orbitals:  106
-2024-12-09 10:30:04,800 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,800 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,800 - INFO - moving on ...
-2024-12-09 10:30:04,800 - INFO - parsing ../problem_instances/problem_instance.p2_0.2e61ba35-b6b0-42b5-b3e8-d25bd83145ba.json
-2024-12-09 10:30:04,800 - INFO - problem_instance UUID: 2e61ba35-b6b0-42b5-b3e8-d25bd83145ba
-2024-12-09 10:30:04,800 - INFO - problem_instance short name: p2_0
-2024-12-09 10:30:04,800 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,800 - INFO - task UUID: 084acde0-d1c7-4721-aa45-acb4832e0998...
-2024-12-09 10:30:04,801 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,801 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,802 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,802 - INFO - supporting data file UUID: 7702bafa-2620-4d12-8ec6-e8c6246d385a.
-2024-12-09 10:30:04,802 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz.
-2024-12-09 10:30:04,802 - INFO - assuming fcidump.p2_cc-pVDZ.7702bafa-2620-4d12-8ec6-e8c6246d385a.gz is an FCIDUMP file.
-2024-12-09 10:30:04,818 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,818 - INFO - instance_data_object_uuid 7702bafa-2620-4d12-8ec6-e8c6246d385a is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,818 - INFO - supporting data file UUID: f08ade09-d3e1-469c-8d7f-3a6b8734e06e.
-2024-12-09 10:30:04,819 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk.
-2024-12-09 10:30:04,819 - INFO - assuming p2_cc-pVDZ.f08ade09-d3e1-469c-8d7f-3a6b8734e06e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,819 - INFO - task UUID: e61df0de-0a97-4204-9fb9-3995c30d7999...
-2024-12-09 10:30:04,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,820 - INFO - number of orbitals:  118
-2024-12-09 10:30:04,820 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,820 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,820 - INFO - moving on ...
-2024-12-09 10:30:04,820 - INFO - task UUID: 23a06c81-be81-4f88-98ab-9e7030c909ef...
-2024-12-09 10:30:04,821 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,822 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,822 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,822 - INFO - supporting data file UUID: 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.
-2024-12-09 10:30:04,822 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz.
-2024-12-09 10:30:04,822 - INFO - assuming fcidump.p2_cc-pVTZ.1ffb78a3-162a-43a4-a64c-d1d8fb0bce24.gz is an FCIDUMP file.
-2024-12-09 10:30:04,838 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,838 - INFO - instance_data_object_uuid 1ffb78a3-162a-43a4-a64c-d1d8fb0bce24 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,838 - INFO - supporting data file UUID: e7286181-b703-42a7-ad54-2d3a3e741d61.
-2024-12-09 10:30:04,838 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk.
-2024-12-09 10:30:04,839 - INFO - assuming p2_cc-pVTZ.e7286181-b703-42a7-ad54-2d3a3e741d61.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,839 - INFO - parsing ../problem_instances/problem_instance.si_o_0.68f1a091-8652-4095-ba31-56f0e02e27d3.json
-2024-12-09 10:30:04,839 - INFO - problem_instance UUID: 68f1a091-8652-4095-ba31-56f0e02e27d3
-2024-12-09 10:30:04,839 - INFO - problem_instance short name: si_o_0
-2024-12-09 10:30:04,839 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,839 - INFO - task UUID: 88a6b9fd-e159-4059-9ee5-ba718fd624dc...
-2024-12-09 10:30:04,840 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,840 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,840 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,840 - INFO - supporting data file UUID: ab244b36-ab52-4cce-b50a-2b04d8c548e7.
-2024-12-09 10:30:04,841 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz.
-2024-12-09 10:30:04,841 - INFO - assuming fcidump.si_o_cc-pVDZ.ab244b36-ab52-4cce-b50a-2b04d8c548e7.gz is an FCIDUMP file.
-2024-12-09 10:30:04,857 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,858 - INFO - instance_data_object_uuid ab244b36-ab52-4cce-b50a-2b04d8c548e7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,858 - INFO - supporting data file UUID: c2098b79-b369-4b4b-be59-d4e3953debbd.
-2024-12-09 10:30:04,858 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk.
-2024-12-09 10:30:04,858 - INFO - assuming si_o_cc-pVDZ.c2098b79-b369-4b4b-be59-d4e3953debbd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,858 - INFO - task UUID: cca08104-f5f6-407f-9c62-faadc8f29bec...
-2024-12-09 10:30:04,859 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,859 - INFO - number of orbitals:  114
-2024-12-09 10:30:04,859 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,860 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,860 - INFO - moving on ...
-2024-12-09 10:30:04,860 - INFO - task UUID: 8aa559b0-3aae-4850-a2d7-14e037ce26c0...
-2024-12-09 10:30:04,861 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,861 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,861 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,861 - INFO - supporting data file UUID: 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.
-2024-12-09 10:30:04,861 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz.
-2024-12-09 10:30:04,861 - INFO - assuming fcidump.si_o_cc-pVTZ.1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7.gz is an FCIDUMP file.
-2024-12-09 10:30:04,877 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,878 - INFO - instance_data_object_uuid 1b1a93a4-a3cd-424f-87a2-c5a7ae5dbaf7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,878 - INFO - supporting data file UUID: b37630a8-c0e0-4a2f-950f-b132623cf31c.
-2024-12-09 10:30:04,878 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk.
-2024-12-09 10:30:04,878 - INFO - assuming si_o_cc-pVTZ.b37630a8-c0e0-4a2f-950f-b132623cf31c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,878 - INFO - parsing ../problem_instances/problem_instance.h2_o_0.9b8083ab-ea59-47db-894c-95a0d2ba3cb6.json
-2024-12-09 10:30:04,878 - INFO - problem_instance UUID: 9b8083ab-ea59-47db-894c-95a0d2ba3cb6
-2024-12-09 10:30:04,878 - INFO - problem_instance short name: h2_o_0
-2024-12-09 10:30:04,878 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,878 - INFO - task UUID: 80d75334-b878-41ec-99a8-b21277f3df60...
-2024-12-09 10:30:04,880 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,880 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,880 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,880 - INFO - supporting data file UUID: 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.
-2024-12-09 10:30:04,880 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz.
-2024-12-09 10:30:04,880 - INFO - assuming fcidump.h2_o_cc-pVDZ.96954db2-ef3e-47fd-82f8-2ac3cbfd6c17.gz is an FCIDUMP file.
-2024-12-09 10:30:04,897 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,897 - INFO - instance_data_object_uuid 96954db2-ef3e-47fd-82f8-2ac3cbfd6c17 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,897 - INFO - supporting data file UUID: 3a9877c5-bdd8-42e6-82de-5017afd0758b.
-2024-12-09 10:30:04,897 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk.
-2024-12-09 10:30:04,897 - INFO - assuming h2_o_cc-pVDZ.3a9877c5-bdd8-42e6-82de-5017afd0758b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,897 - INFO - task UUID: 5e576716-0df8-4712-8f03-ea1ac3808e35...
-2024-12-09 10:30:04,899 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,899 - INFO - number of orbitals:  115
-2024-12-09 10:30:04,899 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:04,899 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:04,899 - INFO - moving on ...
-2024-12-09 10:30:04,899 - INFO - task UUID: 4e395cc5-b5d2-4b82-95a2-1276262386c8...
-2024-12-09 10:30:04,900 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,901 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,901 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,901 - INFO - supporting data file UUID: dd869557-00f9-421f-ab39-faa9d8e05df2.
-2024-12-09 10:30:04,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz.
-2024-12-09 10:30:04,901 - INFO - assuming fcidump.h2_o_cc-pVTZ.dd869557-00f9-421f-ab39-faa9d8e05df2.gz is an FCIDUMP file.
-2024-12-09 10:30:04,917 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,918 - INFO - instance_data_object_uuid dd869557-00f9-421f-ab39-faa9d8e05df2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,918 - INFO - supporting data file UUID: 8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.
-2024-12-09 10:30:04,918 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk.
-2024-12-09 10:30:04,918 - INFO - assuming h2_o_cc-pVTZ.8d8f097e-dd3e-48ed-8cb8-204760a8cfa4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,918 - INFO - parsing ../problem_instances/problem_instance.h_o_cl_0.ea2e13c5-6d80-466e-bd6b-6289e10ed82b.json
-2024-12-09 10:30:04,918 - INFO - problem_instance UUID: ea2e13c5-6d80-466e-bd6b-6289e10ed82b
-2024-12-09 10:30:04,918 - INFO - problem_instance short name: h_o_cl_0
-2024-12-09 10:30:04,918 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,918 - INFO - task UUID: bd44e482-057d-42c3-a052-cbd952fa8025...
-2024-12-09 10:30:04,920 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,920 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,920 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,920 - INFO - supporting data file UUID: 95dec49b-7d4e-4889-9e31-97e21db7b329.
-2024-12-09 10:30:04,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz.
-2024-12-09 10:30:04,920 - INFO - assuming fcidump.h_o_cl_cc-pVDZ.95dec49b-7d4e-4889-9e31-97e21db7b329.gz is an FCIDUMP file.
-2024-12-09 10:30:04,937 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,937 - INFO - instance_data_object_uuid 95dec49b-7d4e-4889-9e31-97e21db7b329 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,937 - INFO - supporting data file UUID: aa593c42-1dff-4302-b3f6-85eb6945f108.
-2024-12-09 10:30:04,937 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk.
-2024-12-09 10:30:04,938 - INFO - assuming h_o_cl_cc-pVDZ.aa593c42-1dff-4302-b3f6-85eb6945f108.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,938 - INFO - task UUID: fea4b4a2-64a1-45c3-a760-83aec702bdca...
-2024-12-09 10:30:04,939 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,939 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,939 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,939 - INFO - supporting data file UUID: e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.
-2024-12-09 10:30:04,939 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz.
-2024-12-09 10:30:04,939 - INFO - assuming fcidump.h_o_cl_cc-pVTZ.e8ed1ee4-2780-4978-8d21-d1a23a30ae8d.gz is an FCIDUMP file.
-2024-12-09 10:30:04,956 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,956 - INFO - instance_data_object_uuid e8ed1ee4-2780-4978-8d21-d1a23a30ae8d is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,956 - INFO - supporting data file UUID: 3f652fb4-0324-46c1-ae9a-d69ed4da1756.
-2024-12-09 10:30:04,956 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk.
-2024-12-09 10:30:04,956 - INFO - assuming h_o_cl_cc-pVTZ.3f652fb4-0324-46c1-ae9a-d69ed4da1756.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,956 - INFO - parsing ../problem_instances/problem_instance.c2_h6_0.b1c5ac4e-9b94-4e89-9557-da2026933172.json
-2024-12-09 10:30:04,957 - INFO - problem_instance UUID: b1c5ac4e-9b94-4e89-9557-da2026933172
-2024-12-09 10:30:04,957 - INFO - problem_instance short name: c2_h6_0
-2024-12-09 10:30:04,957 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,957 - INFO - task UUID: 15a25e30-cba9-4f63-80a6-ef95a8c79d41...
-2024-12-09 10:30:04,958 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,958 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,958 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,958 - INFO - supporting data file UUID: da21513f-c490-45e2-8ce9-1c7a511ca925.
-2024-12-09 10:30:04,958 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz.
-2024-12-09 10:30:04,958 - INFO - assuming fcidump.c2_h6_cc-pVDZ.da21513f-c490-45e2-8ce9-1c7a511ca925.gz is an FCIDUMP file.
-2024-12-09 10:30:04,975 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,975 - INFO - instance_data_object_uuid da21513f-c490-45e2-8ce9-1c7a511ca925 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,975 - INFO - supporting data file UUID: 3f2b2cd3-e675-403f-bea0-92e5f2a909aa.
-2024-12-09 10:30:04,975 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk.
-2024-12-09 10:30:04,976 - INFO - assuming c2_h6_cc-pVDZ.3f2b2cd3-e675-403f-bea0-92e5f2a909aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:04,976 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0001.3d3b9e8a-7842-4ca1-bd82-eddb9804972d.json
-2024-12-09 10:30:04,976 - INFO - problem_instance UUID: 3d3b9e8a-7842-4ca1-bd82-eddb9804972d
-2024-12-09 10:30:04,976 - INFO - problem_instance short name: planted_solution_0001
-2024-12-09 10:30:04,976 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,976 - INFO - task UUID: be3812d3-5975-4736-8a23-96d64e50e66a...
-2024-12-09 10:30:04,977 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,977 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,977 - INFO - number of supporting files: 1
-2024-12-09 10:30:04,977 - INFO - supporting data file UUID: 3add17d8-cb86-4ae5-8474-96d272269d80.
-2024-12-09 10:30:04,977 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz.
-2024-12-09 10:30:04,978 - INFO - assuming fcidump.planted_solution_0001.3add17d8-cb86-4ae5-8474-96d272269d80.gz is an FCIDUMP file.
-2024-12-09 10:30:04,994 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:04,994 - INFO - instance_data_object_uuid 3add17d8-cb86-4ae5-8474-96d272269d80 is already in the feature database.  Skipping it!
-2024-12-09 10:30:04,995 - INFO - parsing ../problem_instances/problem_instance.c_h4_0.e0f6ed02-6502-454b-bf2c-e7994e0510f4.json
-2024-12-09 10:30:04,995 - INFO - problem_instance UUID: e0f6ed02-6502-454b-bf2c-e7994e0510f4
-2024-12-09 10:30:04,995 - INFO - problem_instance short name: c_h4_0
-2024-12-09 10:30:04,995 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:04,995 - INFO - task UUID: 443371ce-c80d-450d-b281-ac1c4d5ecc4d...
-2024-12-09 10:30:04,996 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:04,996 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:04,997 - INFO - number of supporting files: 2
-2024-12-09 10:30:04,997 - INFO - supporting data file UUID: a7321b5d-4730-4ace-9ff8-734ec07f3fef.
-2024-12-09 10:30:04,997 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz.
-2024-12-09 10:30:04,997 - INFO - assuming fcidump.c_h4_cc-pVDZ.a7321b5d-4730-4ace-9ff8-734ec07f3fef.gz is an FCIDUMP file.
-2024-12-09 10:30:05,013 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,014 - INFO - instance_data_object_uuid a7321b5d-4730-4ace-9ff8-734ec07f3fef is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,014 - INFO - supporting data file UUID: 02b1e2b3-66f7-4004-9f27-94d407ab51e1.
-2024-12-09 10:30:05,014 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk.
-2024-12-09 10:30:05,014 - INFO - assuming c_h4_cc-pVDZ.02b1e2b3-66f7-4004-9f27-94d407ab51e1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,014 - INFO - task UUID: f936469c-1d1e-4295-a006-84a778c1714c...
-2024-12-09 10:30:05,015 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,015 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,015 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,015 - INFO - supporting data file UUID: 47a5eadf-e31e-4c38-983f-8c75460463ea.
-2024-12-09 10:30:05,016 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz.
-2024-12-09 10:30:05,016 - INFO - assuming fcidump.c_h4_cc-pVTZ.47a5eadf-e31e-4c38-983f-8c75460463ea.gz is an FCIDUMP file.
-2024-12-09 10:30:05,032 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,032 - INFO - instance_data_object_uuid 47a5eadf-e31e-4c38-983f-8c75460463ea is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,032 - INFO - supporting data file UUID: 6e2fb98f-f4d8-47c9-a4f4-496999541f0d.
-2024-12-09 10:30:05,032 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk.
-2024-12-09 10:30:05,032 - INFO - assuming c_h4_cc-pVTZ.6e2fb98f-f4d8-47c9-a4f4-496999541f0d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,032 - INFO - parsing ../problem_instances/problem_instance.V_1.18e1973e-d6cf-48d6-9ca4-c1af21ff7c98.json
-2024-12-09 10:30:05,033 - INFO - problem_instance UUID: 18e1973e-d6cf-48d6-9ca4-c1af21ff7c98
-2024-12-09 10:30:05,033 - INFO - problem_instance short name: V_1
-2024-12-09 10:30:05,033 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,033 - INFO - task UUID: 6d0f8edd-507f-43d5-9960-9ad49532ee42...
-2024-12-09 10:30:05,034 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,034 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,034 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,034 - INFO - supporting data file UUID: cf7aa422-2b82-4d7c-a031-8923e1fc8a41.
-2024-12-09 10:30:05,034 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz.
-2024-12-09 10:30:05,034 - INFO - assuming fcidump.V1_vdz.cf7aa422-2b82-4d7c-a031-8923e1fc8a41.gz is an FCIDUMP file.
-2024-12-09 10:30:05,051 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,051 - INFO - instance_data_object_uuid cf7aa422-2b82-4d7c-a031-8923e1fc8a41 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,051 - INFO - supporting data file UUID: 722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.
-2024-12-09 10:30:05,051 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk.
-2024-12-09 10:30:05,051 - INFO - assuming V1_vdz.722f4d71-266b-4bb3-b4fb-d8f9c54ad9d9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,051 - INFO - task UUID: 106deaf8-422f-4e06-bf25-6191abd6eecf...
-2024-12-09 10:30:05,053 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,053 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,053 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,053 - INFO - supporting data file UUID: 1ddf0c08-d7f1-48b7-8c85-c7e50997c771.
-2024-12-09 10:30:05,053 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz.
-2024-12-09 10:30:05,053 - INFO - assuming fcidump.V1_vtz.1ddf0c08-d7f1-48b7-8c85-c7e50997c771.gz is an FCIDUMP file.
-2024-12-09 10:30:05,069 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,070 - INFO - instance_data_object_uuid 1ddf0c08-d7f1-48b7-8c85-c7e50997c771 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,070 - INFO - supporting data file UUID: 0eb8a149-4609-4453-8dab-44e04a701ba1.
-2024-12-09 10:30:05,070 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk.
-2024-12-09 10:30:05,070 - INFO - assuming V1_vtz.0eb8a149-4609-4453-8dab-44e04a701ba1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,070 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0007.3aaf0bb4-b412-4746-922a-c380b4024d00.json
-2024-12-09 10:30:05,070 - INFO - problem_instance UUID: 3aaf0bb4-b412-4746-922a-c380b4024d00
-2024-12-09 10:30:05,070 - INFO - problem_instance short name: planted_solution_0007
-2024-12-09 10:30:05,070 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,070 - INFO - task UUID: d3c058ec-9b13-4a9a-aba0-d3f19091c47b...
-2024-12-09 10:30:05,072 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,072 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,072 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,072 - INFO - supporting data file UUID: c594d63e-29c7-462a-b385-f70c6d7d8350.
-2024-12-09 10:30:05,072 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz.
-2024-12-09 10:30:05,072 - INFO - assuming fcidump.planted_solution_0007.c594d63e-29c7-462a-b385-f70c6d7d8350.gz is an FCIDUMP file.
-2024-12-09 10:30:05,089 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,089 - INFO - instance_data_object_uuid c594d63e-29c7-462a-b385-f70c6d7d8350 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,089 - INFO - parsing ../problem_instances/problem_instance.Ti_0.c1e4c7dd-2dc4-4dd0-889d-fb34f602965a.json
-2024-12-09 10:30:05,089 - INFO - problem_instance UUID: c1e4c7dd-2dc4-4dd0-889d-fb34f602965a
-2024-12-09 10:30:05,089 - INFO - problem_instance short name: Ti_0
-2024-12-09 10:30:05,089 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,090 - INFO - task UUID: ab61c91a-68ea-401f-a3ad-392e83ee802e...
-2024-12-09 10:30:05,091 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,091 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,091 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,091 - INFO - supporting data file UUID: cdae3a0c-d613-4375-ab65-7088244b54ef.
-2024-12-09 10:30:05,091 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz.
-2024-12-09 10:30:05,091 - INFO - assuming fcidump.Ti0_vdz.cdae3a0c-d613-4375-ab65-7088244b54ef.gz is an FCIDUMP file.
-2024-12-09 10:30:05,108 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,108 - INFO - instance_data_object_uuid cdae3a0c-d613-4375-ab65-7088244b54ef is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,108 - INFO - supporting data file UUID: 83c3df6f-5621-477f-8fad-7bddcb60c363.
-2024-12-09 10:30:05,108 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk.
-2024-12-09 10:30:05,108 - INFO - assuming Ti0_vdz.83c3df6f-5621-477f-8fad-7bddcb60c363.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,108 - INFO - task UUID: 0c023ffe-8453-4f5f-b29e-7863589fb191...
-2024-12-09 10:30:05,110 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,110 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,110 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,110 - INFO - supporting data file UUID: 7766bf7c-05db-4294-b125-6f0110aa9407.
-2024-12-09 10:30:05,110 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz.
-2024-12-09 10:30:05,110 - INFO - assuming fcidump.Ti0_vtz.7766bf7c-05db-4294-b125-6f0110aa9407.gz is an FCIDUMP file.
-2024-12-09 10:30:05,126 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,127 - INFO - instance_data_object_uuid 7766bf7c-05db-4294-b125-6f0110aa9407 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,127 - INFO - supporting data file UUID: 0eb3da83-59f1-46f9-9704-11784014a6c2.
-2024-12-09 10:30:05,127 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk.
-2024-12-09 10:30:05,127 - INFO - assuming Ti0_vtz.0eb3da83-59f1-46f9-9704-11784014a6c2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,127 - INFO - parsing ../problem_instances/problem_instance.CrO_0.2140edd4-8eb3-4270-b753-278334998e3d.json
-2024-12-09 10:30:05,127 - INFO - problem_instance UUID: 2140edd4-8eb3-4270-b753-278334998e3d
-2024-12-09 10:30:05,127 - INFO - problem_instance short name: CrO_0
-2024-12-09 10:30:05,127 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,127 - INFO - task UUID: e0101b06-dfd6-4caa-8580-a9815b225204...
-2024-12-09 10:30:05,128 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,129 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,129 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,129 - INFO - supporting data file UUID: b9a18106-c719-4d0c-af12-30ded772eb55.
-2024-12-09 10:30:05,129 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz.
-2024-12-09 10:30:05,129 - INFO - assuming fcidump.CrO_vdz.b9a18106-c719-4d0c-af12-30ded772eb55.gz is an FCIDUMP file.
-2024-12-09 10:30:05,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,146 - INFO - instance_data_object_uuid b9a18106-c719-4d0c-af12-30ded772eb55 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,146 - INFO - supporting data file UUID: 59764ee7-250e-4e06-89c7-e9cdc5850196.
-2024-12-09 10:30:05,146 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk.
-2024-12-09 10:30:05,146 - INFO - assuming CrO_vdz.59764ee7-250e-4e06-89c7-e9cdc5850196.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,146 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0002.00043d56-ed63-4266-907c-99c95c51b9db.json
-2024-12-09 10:30:05,146 - INFO - problem_instance UUID: 00043d56-ed63-4266-907c-99c95c51b9db
-2024-12-09 10:30:05,146 - INFO - problem_instance short name: planted_solution_0002
-2024-12-09 10:30:05,146 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,146 - INFO - task UUID: 0deae366-42de-4081-914d-db85c6b47168...
-2024-12-09 10:30:05,148 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,148 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,148 - INFO - supporting data file UUID: 16f9288f-be7e-4f8a-ab09-0153263f83c7.
-2024-12-09 10:30:05,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz.
-2024-12-09 10:30:05,148 - INFO - assuming fcidump.planted_solution_0002.16f9288f-be7e-4f8a-ab09-0153263f83c7.gz is an FCIDUMP file.
-2024-12-09 10:30:05,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,165 - INFO - instance_data_object_uuid 16f9288f-be7e-4f8a-ab09-0153263f83c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,166 - INFO - parsing ../problem_instances/problem_instance.h3_c_o_h_0.5524b5e5-adba-4322-9808-69e75e4335b2.json
-2024-12-09 10:30:05,166 - INFO - problem_instance UUID: 5524b5e5-adba-4322-9808-69e75e4335b2
-2024-12-09 10:30:05,166 - INFO - problem_instance short name: h3_c_o_h_0
-2024-12-09 10:30:05,166 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,166 - INFO - task UUID: fc3586af-0290-4a4a-81e1-422a1d331a09...
-2024-12-09 10:30:05,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,167 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,168 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,168 - INFO - supporting data file UUID: 26a32758-4c43-4add-a12e-7273b2ddfd0e.
-2024-12-09 10:30:05,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz.
-2024-12-09 10:30:05,168 - INFO - assuming fcidump.h3_c_o_h_cc-pVDZ.26a32758-4c43-4add-a12e-7273b2ddfd0e.gz is an FCIDUMP file.
-2024-12-09 10:30:05,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,185 - INFO - instance_data_object_uuid 26a32758-4c43-4add-a12e-7273b2ddfd0e is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,185 - INFO - supporting data file UUID: fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.
-2024-12-09 10:30:05,185 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk.
-2024-12-09 10:30:05,185 - INFO - assuming h3_c_o_h_cc-pVDZ.fc9dd1d9-c83f-42c3-ac64-9d4b9d76800a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,185 - INFO - task UUID: 7ecc9a42-2b18-4179-81ec-583598fa579b...
-2024-12-09 10:30:05,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,187 - INFO - number of orbitals:  116
-2024-12-09 10:30:05,187 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,187 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,187 - INFO - moving on ...
-2024-12-09 10:30:05,187 - INFO - parsing ../problem_instances/problem_instance.Cr_0.b8fe08a4-82fe-4636-9812-b1e0666f95b5.json
-2024-12-09 10:30:05,187 - INFO - problem_instance UUID: b8fe08a4-82fe-4636-9812-b1e0666f95b5
-2024-12-09 10:30:05,187 - INFO - problem_instance short name: Cr_0
-2024-12-09 10:30:05,187 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,187 - INFO - task UUID: 5d85532e-9116-48a1-9810-7925c9ed9c57...
-2024-12-09 10:30:05,188 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,189 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,189 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,189 - INFO - supporting data file UUID: be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.
-2024-12-09 10:30:05,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz.
-2024-12-09 10:30:05,189 - INFO - assuming fcidump.Cr0_vdz.be2e7f6c-ccba-45ce-a42b-bd1d828b2d18.gz is an FCIDUMP file.
-2024-12-09 10:30:05,205 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,206 - INFO - instance_data_object_uuid be2e7f6c-ccba-45ce-a42b-bd1d828b2d18 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,206 - INFO - supporting data file UUID: 40f36526-3534-4688-8bd5-9cb9e1a8a6c8.
-2024-12-09 10:30:05,206 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk.
-2024-12-09 10:30:05,206 - INFO - assuming Cr0_vdz.40f36526-3534-4688-8bd5-9cb9e1a8a6c8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,206 - INFO - task UUID: 35b59fd4-e046-4d69-ba52-4b94a7777ac3...
-2024-12-09 10:30:05,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,208 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,208 - INFO - supporting data file UUID: dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.
-2024-12-09 10:30:05,208 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz.
-2024-12-09 10:30:05,208 - INFO - assuming fcidump.Cr0_vtz.dd44b59c-f6b3-4f9a-acfe-34eaf6de3411.gz is an FCIDUMP file.
-2024-12-09 10:30:05,225 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,225 - INFO - instance_data_object_uuid dd44b59c-f6b3-4f9a-acfe-34eaf6de3411 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,225 - INFO - supporting data file UUID: 83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.
-2024-12-09 10:30:05,225 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk.
-2024-12-09 10:30:05,225 - INFO - assuming Cr0_vtz.83f5e74f-7848-4b7d-8c79-85ff5e3ecd8a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,225 - INFO - parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json
-2024-12-09 10:30:05,225 - INFO - problem_instance UUID: cc7044d7-28e0-4fe2-bd6b-c9c758da4776
-2024-12-09 10:30:05,226 - INFO - problem_instance short name: h2_o2_0
-2024-12-09 10:30:05,226 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,226 - INFO - task UUID: 85743547-31ba-48ff-b854-220e4b9b620f...
-2024-12-09 10:30:05,227 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,227 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,227 - INFO - supporting data file UUID: 459b2739-8810-4cd9-82c4-4285c36a0193.
-2024-12-09 10:30:05,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz.
-2024-12-09 10:30:05,227 - INFO - assuming fcidump.h2_o2_cc-pVDZ.459b2739-8810-4cd9-82c4-4285c36a0193.gz is an FCIDUMP file.
-2024-12-09 10:30:05,244 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,245 - INFO - instance_data_object_uuid 459b2739-8810-4cd9-82c4-4285c36a0193 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,245 - INFO - supporting data file UUID: ba9db214-256b-4302-9fc3-53c07a2a38f7.
-2024-12-09 10:30:05,245 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk.
-2024-12-09 10:30:05,245 - INFO - assuming h2_o2_cc-pVDZ.ba9db214-256b-4302-9fc3-53c07a2a38f7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,245 - INFO - task UUID: ae328238-7f54-43e2-bf9a-01c60563e578...
-2024-12-09 10:30:05,246 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,247 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,247 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,247 - INFO - supporting data file UUID: 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.
-2024-12-09 10:30:05,247 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz.
-2024-12-09 10:30:05,247 - INFO - assuming fcidump.h2_o2_cc-pVTZ.1a0cce83-5b61-4c4e-a5d4-8825a9b89f65.gz is an FCIDUMP file.
-2024-12-09 10:30:05,263 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,263 - INFO - instance_data_object_uuid 1a0cce83-5b61-4c4e-a5d4-8825a9b89f65 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,264 - INFO - supporting data file UUID: a269bb23-789a-4e5d-95fb-79e799b7b57d.
-2024-12-09 10:30:05,264 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk.
-2024-12-09 10:30:05,264 - INFO - assuming h2_o2_cc-pVTZ.a269bb23-789a-4e5d-95fb-79e799b7b57d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,264 - INFO - parsing ../problem_instances/problem_instance.c_o_0.1c3155e0-3679-4eff-bed0-57a1082672c3.json
-2024-12-09 10:30:05,264 - INFO - problem_instance UUID: 1c3155e0-3679-4eff-bed0-57a1082672c3
-2024-12-09 10:30:05,264 - INFO - problem_instance short name: c_o_0
-2024-12-09 10:30:05,264 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,264 - INFO - task UUID: 02588640-a5ae-48e6-b28b-f6759886ab70...
-2024-12-09 10:30:05,265 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,266 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,266 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,266 - INFO - supporting data file UUID: 5de3dbbd-1d79-45c9-ac75-4140ae123baa.
-2024-12-09 10:30:05,266 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz.
-2024-12-09 10:30:05,266 - INFO - assuming fcidump.c_o_cc-pVDZ.5de3dbbd-1d79-45c9-ac75-4140ae123baa.gz is an FCIDUMP file.
-2024-12-09 10:30:05,282 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,282 - INFO - instance_data_object_uuid 5de3dbbd-1d79-45c9-ac75-4140ae123baa is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,282 - INFO - supporting data file UUID: b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.
-2024-12-09 10:30:05,282 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk.
-2024-12-09 10:30:05,282 - INFO - assuming c_o_cc-pVDZ.b9b25ab0-9049-423b-b5e4-c2cb73ae60e8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,282 - INFO - task UUID: 7ea61c79-c0e5-453b-8fd0-b176cb8821a7...
-2024-12-09 10:30:05,284 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,284 - INFO - number of orbitals:  110
-2024-12-09 10:30:05,284 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,284 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,284 - INFO - moving on ...
-2024-12-09 10:30:05,284 - INFO - task UUID: a92f6594-5ccc-4385-9cb5-8c21b4407dcf...
-2024-12-09 10:30:05,285 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,285 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,285 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,285 - INFO - supporting data file UUID: 2b749f51-9ea9-41c4-9f67-e9c8334478c4.
-2024-12-09 10:30:05,285 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz.
-2024-12-09 10:30:05,285 - INFO - assuming fcidump.c_o_cc-pVTZ.2b749f51-9ea9-41c4-9f67-e9c8334478c4.gz is an FCIDUMP file.
-2024-12-09 10:30:05,301 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,302 - INFO - instance_data_object_uuid 2b749f51-9ea9-41c4-9f67-e9c8334478c4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,302 - INFO - supporting data file UUID: 362780fa-e430-4477-abe0-cef3e01f4bc8.
-2024-12-09 10:30:05,302 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk.
-2024-12-09 10:30:05,302 - INFO - assuming c_o_cc-pVTZ.362780fa-e430-4477-abe0-cef3e01f4bc8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,302 - INFO - parsing ../problem_instances/problem_instance.Sc_1.c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7.json
-2024-12-09 10:30:05,302 - INFO - problem_instance UUID: c6ab4ddb-efe8-46d6-9fc4-90901c08d9a7
-2024-12-09 10:30:05,302 - INFO - problem_instance short name: Sc_1
-2024-12-09 10:30:05,302 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,302 - INFO - task UUID: ca6f7678-0952-4fe4-83fe-c4455a682132...
-2024-12-09 10:30:05,303 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,304 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,304 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,304 - INFO - supporting data file UUID: 75228927-fac3-4caf-9e09-1fdfe51098a3.
-2024-12-09 10:30:05,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz.
-2024-12-09 10:30:05,304 - INFO - assuming fcidump.Sc1_vdz.75228927-fac3-4caf-9e09-1fdfe51098a3.gz is an FCIDUMP file.
-2024-12-09 10:30:05,320 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,321 - INFO - instance_data_object_uuid 75228927-fac3-4caf-9e09-1fdfe51098a3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,321 - INFO - supporting data file UUID: 5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.
-2024-12-09 10:30:05,321 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk.
-2024-12-09 10:30:05,321 - INFO - assuming Sc1_vdz.5fc63d72-8bd6-41c6-aaa2-2fbbcea4029f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,321 - INFO - task UUID: 10119019-eea2-45c9-a748-e206780c4235...
-2024-12-09 10:30:05,322 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,323 - INFO - number of orbitals:  135
-2024-12-09 10:30:05,323 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,323 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,323 - INFO - moving on ...
-2024-12-09 10:30:05,323 - INFO - task UUID: 78d5e5ba-0b2c-4cfe-92c5-f1c749150015...
-2024-12-09 10:30:05,324 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,324 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,324 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,324 - INFO - supporting data file UUID: adfdddd9-6ebe-4661-8bd8-c8810f117a6a.
-2024-12-09 10:30:05,324 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz.
-2024-12-09 10:30:05,324 - INFO - assuming fcidump.Sc1_vtz.adfdddd9-6ebe-4661-8bd8-c8810f117a6a.gz is an FCIDUMP file.
-2024-12-09 10:30:05,340 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,341 - INFO - instance_data_object_uuid adfdddd9-6ebe-4661-8bd8-c8810f117a6a is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,341 - INFO - supporting data file UUID: 01a9aae3-1545-469e-8816-eda173836278.
-2024-12-09 10:30:05,341 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk.
-2024-12-09 10:30:05,341 - INFO - assuming Sc1_vtz.01a9aae3-1545-469e-8816-eda173836278.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,341 - INFO - parsing ../problem_instances/problem_instance.si_h2_singlet_0.a0a07bfe-aac2-4d61-9425-009953899b3b.json
-2024-12-09 10:30:05,341 - INFO - problem_instance UUID: a0a07bfe-aac2-4d61-9425-009953899b3b
-2024-12-09 10:30:05,341 - INFO - problem_instance short name: si_h2_singlet_0
-2024-12-09 10:30:05,341 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,341 - INFO - task UUID: 240f7830-f4e1-4301-b0af-ab8936851796...
-2024-12-09 10:30:05,343 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,343 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,343 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,343 - INFO - supporting data file UUID: 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.
-2024-12-09 10:30:05,343 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz.
-2024-12-09 10:30:05,343 - INFO - assuming fcidump.si_h2_singlet_cc-pVDZ.7fdb7bf4-2eed-4b4f-bf6f-767c7518367d.gz is an FCIDUMP file.
-2024-12-09 10:30:05,359 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,360 - INFO - instance_data_object_uuid 7fdb7bf4-2eed-4b4f-bf6f-767c7518367d is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,360 - INFO - supporting data file UUID: d08c3329-01e1-46ce-b57b-25dfe315271e.
-2024-12-09 10:30:05,360 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk.
-2024-12-09 10:30:05,360 - INFO - assuming si_h2_singlet_cc-pVDZ.d08c3329-01e1-46ce-b57b-25dfe315271e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,360 - INFO - task UUID: 50de76ad-110a-4c09-836a-64cc60c87f9a...
-2024-12-09 10:30:05,361 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,362 - INFO - number of orbitals:  119
-2024-12-09 10:30:05,362 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,362 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,362 - INFO - moving on ...
-2024-12-09 10:30:05,362 - INFO - task UUID: 5e1dcd34-1373-4f34-b9df-d738a8cf4db6...
-2024-12-09 10:30:05,363 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,363 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,363 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,363 - INFO - supporting data file UUID: 0534fd24-c760-462e-b288-c3ea9fe721c8.
-2024-12-09 10:30:05,363 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz.
-2024-12-09 10:30:05,363 - INFO - assuming fcidump.si_h2_singlet_cc-pVTZ.0534fd24-c760-462e-b288-c3ea9fe721c8.gz is an FCIDUMP file.
-2024-12-09 10:30:05,379 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,380 - INFO - instance_data_object_uuid 0534fd24-c760-462e-b288-c3ea9fe721c8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,380 - INFO - supporting data file UUID: fd38acc2-879f-4343-9948-f08f6e83f44c.
-2024-12-09 10:30:05,380 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk.
-2024-12-09 10:30:05,380 - INFO - assuming si_h2_singlet_cc-pVTZ.fd38acc2-879f-4343-9948-f08f6e83f44c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,380 - INFO - parsing ../problem_instances/problem_instance.c_s_0.f90280cc-c860-4ff1-a9ec-4841cec989f7.json
-2024-12-09 10:30:05,380 - INFO - problem_instance UUID: f90280cc-c860-4ff1-a9ec-4841cec989f7
-2024-12-09 10:30:05,380 - INFO - problem_instance short name: c_s_0
-2024-12-09 10:30:05,380 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,380 - INFO - task UUID: 886855d3-f1a7-4004-a736-417360e81d0a...
-2024-12-09 10:30:05,382 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,382 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,382 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,382 - INFO - supporting data file UUID: 1c5f7390-3d26-4730-addd-b0fbd7591169.
-2024-12-09 10:30:05,382 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz.
-2024-12-09 10:30:05,382 - INFO - assuming fcidump.c_s_cc-pVDZ.1c5f7390-3d26-4730-addd-b0fbd7591169.gz is an FCIDUMP file.
-2024-12-09 10:30:05,398 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,399 - INFO - instance_data_object_uuid 1c5f7390-3d26-4730-addd-b0fbd7591169 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,399 - INFO - supporting data file UUID: 402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.
-2024-12-09 10:30:05,399 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk.
-2024-12-09 10:30:05,399 - INFO - assuming c_s_cc-pVDZ.402d1cfc-3809-48f1-8c2a-5c3faa18bdf8.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,399 - INFO - task UUID: 57830810-1133-4c19-9a19-30183dd86a9f...
-2024-12-09 10:30:05,400 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,400 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,401 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,401 - INFO - supporting data file UUID: f895f408-4aa7-47e2-a903-c26b963b399e.
-2024-12-09 10:30:05,401 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz.
-2024-12-09 10:30:05,401 - INFO - assuming fcidump.c_s_cc-pVTZ.f895f408-4aa7-47e2-a903-c26b963b399e.gz is an FCIDUMP file.
-2024-12-09 10:30:05,417 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,418 - INFO - instance_data_object_uuid f895f408-4aa7-47e2-a903-c26b963b399e is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,418 - INFO - supporting data file UUID: 3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.
-2024-12-09 10:30:05,418 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk.
-2024-12-09 10:30:05,418 - INFO - assuming c_s_cc-pVTZ.3e7f8c2d-ae2e-446c-99ff-3366d03c24d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,418 - INFO - parsing ../problem_instances/problem_instance.h3_c_s_h_0.674b572a-3d6d-4418-8cc2-4755d90367ee.json
-2024-12-09 10:30:05,418 - INFO - problem_instance UUID: 674b572a-3d6d-4418-8cc2-4755d90367ee
-2024-12-09 10:30:05,418 - INFO - problem_instance short name: h3_c_s_h_0
-2024-12-09 10:30:05,418 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,418 - INFO - task UUID: ff159145-fd97-486b-bf16-fc766b362ea3...
-2024-12-09 10:30:05,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,420 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,420 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,420 - INFO - supporting data file UUID: 65a71ea2-097e-472c-b96a-13ddf6a0962c.
-2024-12-09 10:30:05,420 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz.
-2024-12-09 10:30:05,420 - INFO - assuming fcidump.h3_c_s_h_cc-pVDZ.65a71ea2-097e-472c-b96a-13ddf6a0962c.gz is an FCIDUMP file.
-2024-12-09 10:30:05,436 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,437 - INFO - instance_data_object_uuid 65a71ea2-097e-472c-b96a-13ddf6a0962c is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,437 - INFO - supporting data file UUID: 2286fa4e-2324-4f1f-990e-6b397286e4d2.
-2024-12-09 10:30:05,437 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk.
-2024-12-09 10:30:05,437 - INFO - assuming h3_c_s_h_cc-pVDZ.2286fa4e-2324-4f1f-990e-6b397286e4d2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,437 - INFO - parsing ../problem_instances/problem_instance.h_cl_0.586ce6a9-1876-459e-9b6c-be8bb1c4d1a5.json
-2024-12-09 10:30:05,437 - INFO - problem_instance UUID: 586ce6a9-1876-459e-9b6c-be8bb1c4d1a5
-2024-12-09 10:30:05,437 - INFO - problem_instance short name: h_cl_0
-2024-12-09 10:30:05,437 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,437 - INFO - task UUID: fa3bc2a8-8067-4088-909a-2ddfa655ebfb...
-2024-12-09 10:30:05,438 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,439 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,439 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,439 - INFO - supporting data file UUID: 5373214f-f344-4bdb-8840-5acf3b4c07c2.
-2024-12-09 10:30:05,439 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz.
-2024-12-09 10:30:05,439 - INFO - assuming fcidump.h_cl_cc-pVDZ.5373214f-f344-4bdb-8840-5acf3b4c07c2.gz is an FCIDUMP file.
-2024-12-09 10:30:05,456 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,456 - INFO - instance_data_object_uuid 5373214f-f344-4bdb-8840-5acf3b4c07c2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,456 - INFO - supporting data file UUID: 9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.
-2024-12-09 10:30:05,456 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk.
-2024-12-09 10:30:05,456 - INFO - assuming h_cl_cc-pVDZ.9d3c908b-f4dd-48a9-9c0b-2091b75c4f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,456 - INFO - task UUID: 8f39fc4f-91dc-4f67-ab5c-00e8ffc866c4...
-2024-12-09 10:30:05,458 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,458 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,458 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,458 - INFO - supporting data file UUID: 1235d3d0-2c41-4036-909c-807ed3c89d96.
-2024-12-09 10:30:05,458 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz.
-2024-12-09 10:30:05,458 - INFO - assuming fcidump.h_cl_cc-pVQZ.1235d3d0-2c41-4036-909c-807ed3c89d96.gz is an FCIDUMP file.
-2024-12-09 10:30:05,475 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,475 - INFO - instance_data_object_uuid 1235d3d0-2c41-4036-909c-807ed3c89d96 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,475 - INFO - supporting data file UUID: bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.
-2024-12-09 10:30:05,475 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk.
-2024-12-09 10:30:05,475 - INFO - assuming h_cl_cc-pVQZ.bb5112e8-2e25-44c8-b20c-55f6a6f5a9e5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,475 - INFO - task UUID: f0637f33-3c53-4f01-8cf7-cfd9c6f39a51...
-2024-12-09 10:30:05,477 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,477 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,477 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,477 - INFO - supporting data file UUID: 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.
-2024-12-09 10:30:05,477 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz.
-2024-12-09 10:30:05,477 - INFO - assuming fcidump.h_cl_cc-pVTZ.9ef07114-7e1a-4eba-a9ac-2c71c5fd518a.gz is an FCIDUMP file.
-2024-12-09 10:30:05,494 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,494 - INFO - instance_data_object_uuid 9ef07114-7e1a-4eba-a9ac-2c71c5fd518a is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,494 - INFO - supporting data file UUID: 438599fa-dfe3-43b1-b0d9-e3d94412d2bb.
-2024-12-09 10:30:05,494 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk.
-2024-12-09 10:30:05,494 - INFO - assuming h_cl_cc-pVTZ.438599fa-dfe3-43b1-b0d9-e3d94412d2bb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,494 - INFO - parsing ../problem_instances/problem_instance.s_o2_0.1d0b8322-24b3-407a-8246-07444bb020be.json
-2024-12-09 10:30:05,495 - INFO - problem_instance UUID: 1d0b8322-24b3-407a-8246-07444bb020be
-2024-12-09 10:30:05,495 - INFO - problem_instance short name: s_o2_0
-2024-12-09 10:30:05,495 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,495 - INFO - task UUID: c7cd47fa-1bbd-4859-a0c8-3fd5c287c6db...
-2024-12-09 10:30:05,496 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,496 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,496 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,496 - INFO - supporting data file UUID: 42f8e26e-4707-41e4-8b0a-c099a8a4145c.
-2024-12-09 10:30:05,496 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz.
-2024-12-09 10:30:05,496 - INFO - assuming fcidump.s_o2_cc-pVDZ.42f8e26e-4707-41e4-8b0a-c099a8a4145c.gz is an FCIDUMP file.
-2024-12-09 10:30:05,513 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,513 - INFO - instance_data_object_uuid 42f8e26e-4707-41e4-8b0a-c099a8a4145c is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,513 - INFO - supporting data file UUID: 8fff4715-cce7-4f70-8fda-582dc3ce714f.
-2024-12-09 10:30:05,513 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk.
-2024-12-09 10:30:05,513 - INFO - assuming s_o2_cc-pVDZ.8fff4715-cce7-4f70-8fda-582dc3ce714f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,513 - INFO - task UUID: 84243fc5-4284-4393-bb1d-b73bf600eb26...
-2024-12-09 10:30:05,514 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,515 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,515 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,515 - INFO - supporting data file UUID: 189ad642-9d0f-4d5a-a1b3-1160f515ebf4.
-2024-12-09 10:30:05,515 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz.
-2024-12-09 10:30:05,515 - INFO - assuming fcidump.s_o2_cc-pVTZ.189ad642-9d0f-4d5a-a1b3-1160f515ebf4.gz is an FCIDUMP file.
-2024-12-09 10:30:05,531 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,532 - INFO - instance_data_object_uuid 189ad642-9d0f-4d5a-a1b3-1160f515ebf4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,532 - INFO - supporting data file UUID: f97e0487-8e45-4652-9e7f-911e68fa341b.
-2024-12-09 10:30:05,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk.
-2024-12-09 10:30:05,532 - INFO - assuming s_o2_cc-pVTZ.f97e0487-8e45-4652-9e7f-911e68fa341b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,532 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0004.e0adafc5-789e-43e6-8f9e-e718da28de3a.json
-2024-12-09 10:30:05,532 - INFO - problem_instance UUID: e0adafc5-789e-43e6-8f9e-e718da28de3a
-2024-12-09 10:30:05,532 - INFO - problem_instance short name: planted_solution_0004
-2024-12-09 10:30:05,532 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,532 - INFO - task UUID: c9809448-2f3d-40d4-858d-6288a4703af4...
-2024-12-09 10:30:05,534 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,534 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,534 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,534 - INFO - supporting data file UUID: 52ddfe55-8758-448b-a6b1-3afdab85fdf4.
-2024-12-09 10:30:05,534 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz.
-2024-12-09 10:30:05,534 - INFO - assuming fcidump.planted_solution_0004.52ddfe55-8758-448b-a6b1-3afdab85fdf4.gz is an FCIDUMP file.
-2024-12-09 10:30:05,550 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,551 - INFO - instance_data_object_uuid 52ddfe55-8758-448b-a6b1-3afdab85fdf4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,551 - INFO - parsing ../problem_instances/problem_instance.O_0.162f41da-af43-427c-a8bc-ae9fa97ace95.json
-2024-12-09 10:30:05,551 - INFO - problem_instance UUID: 162f41da-af43-427c-a8bc-ae9fa97ace95
-2024-12-09 10:30:05,551 - INFO - problem_instance short name: O_0
-2024-12-09 10:30:05,551 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,551 - INFO - task UUID: 402d5237-16a3-4eb8-8bd4-5dcf2cb14c36...
-2024-12-09 10:30:05,553 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,553 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,553 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,553 - INFO - supporting data file UUID: c3e26bde-f8e2-4e34-a833-9176dc6c5d58.
-2024-12-09 10:30:05,553 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz.
-2024-12-09 10:30:05,553 - INFO - assuming fcidump.O0_vdz.c3e26bde-f8e2-4e34-a833-9176dc6c5d58.gz is an FCIDUMP file.
-2024-12-09 10:30:05,569 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,570 - INFO - instance_data_object_uuid c3e26bde-f8e2-4e34-a833-9176dc6c5d58 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,570 - INFO - supporting data file UUID: ea4019d6-415e-4efd-8627-d973327ce19e.
-2024-12-09 10:30:05,570 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk.
-2024-12-09 10:30:05,570 - INFO - assuming O0_vdz.ea4019d6-415e-4efd-8627-d973327ce19e.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,570 - INFO - task UUID: b4e88a1e-f05f-4ff7-bd91-b24a5073c6ca...
-2024-12-09 10:30:05,571 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,572 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,572 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,572 - INFO - supporting data file UUID: 31ade416-8bd1-4671-953c-c62f281cd96d.
-2024-12-09 10:30:05,572 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz.
-2024-12-09 10:30:05,572 - INFO - assuming fcidump.O0_vqz.31ade416-8bd1-4671-953c-c62f281cd96d.gz is an FCIDUMP file.
-2024-12-09 10:30:05,589 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,589 - INFO - instance_data_object_uuid 31ade416-8bd1-4671-953c-c62f281cd96d is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,589 - INFO - supporting data file UUID: 2b1cc7fa-5247-4518-8fdb-3e467de4c483.
-2024-12-09 10:30:05,589 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk.
-2024-12-09 10:30:05,589 - INFO - assuming O0_vqz.2b1cc7fa-5247-4518-8fdb-3e467de4c483.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,590 - INFO - task UUID: 85a3a8d6-f2c7-458c-bbc3-25fd76d9afc0...
-2024-12-09 10:30:05,591 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,591 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,591 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,591 - INFO - supporting data file UUID: 1661aaae-621a-430d-990a-bcbbbe270dfb.
-2024-12-09 10:30:05,591 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz.
-2024-12-09 10:30:05,591 - INFO - assuming fcidump.O0_vtz.1661aaae-621a-430d-990a-bcbbbe270dfb.gz is an FCIDUMP file.
-2024-12-09 10:30:05,608 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,608 - INFO - instance_data_object_uuid 1661aaae-621a-430d-990a-bcbbbe270dfb is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,608 - INFO - supporting data file UUID: dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.
-2024-12-09 10:30:05,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk.
-2024-12-09 10:30:05,608 - INFO - assuming O0_vtz.dad8825d-6a27-4f7f-87a6-4bcfad39bdb9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,608 - INFO - parsing ../problem_instances/problem_instance.ozone.9560107e-f1ad-4480-aa51-ef03edda6e19.json
-2024-12-09 10:30:05,608 - INFO - problem_instance UUID: 9560107e-f1ad-4480-aa51-ef03edda6e19
-2024-12-09 10:30:05,609 - INFO - problem_instance short name: ozone
-2024-12-09 10:30:05,609 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,609 - INFO - task UUID: 881f5275-83eb-470c-80fe-eebb7ced30e9...
-2024-12-09 10:30:05,609 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,609 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,609 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,610 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,611 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,611 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,611 - INFO - supporting data file UUID: b0c72570-cf06-4ecc-ae64-52a65720c849.
-2024-12-09 10:30:05,611 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz.
-2024-12-09 10:30:05,611 - INFO - assuming FCIDUMP_g_ring_b_cc-pvdz.b0c72570-cf06-4ecc-ae64-52a65720c849.gz is an FCIDUMP file.
-2024-12-09 10:30:05,628 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,628 - INFO - instance_data_object_uuid b0c72570-cf06-4ecc-ae64-52a65720c849 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,628 - INFO - task UUID: e0de65ed-e45e-46e0-a57b-c6ad4efbdafe...
-2024-12-09 10:30:05,628 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,628 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,628 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,630 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,630 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,631 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,631 - INFO - supporting data file UUID: 598f7475-c056-4a46-8d20-5159c73e5d02.
-2024-12-09 10:30:05,631 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz.
-2024-12-09 10:30:05,631 - INFO - assuming FCIDUMP_g_ring_b_sto-3g.598f7475-c056-4a46-8d20-5159c73e5d02.gz is an FCIDUMP file.
-2024-12-09 10:30:05,647 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,647 - INFO - instance_data_object_uuid 598f7475-c056-4a46-8d20-5159c73e5d02 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,647 - INFO - task UUID: 6918e02b-1e04-40bf-a800-1c9ed100d261...
-2024-12-09 10:30:05,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,650 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,650 - INFO - supporting data file UUID: 8fc9b179-ff7d-4402-b0cf-18ec074b211a.
-2024-12-09 10:30:05,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz.
-2024-12-09 10:30:05,650 - INFO - assuming FCIDUMP_g_ring_b_cc-pvtz.8fc9b179-ff7d-4402-b0cf-18ec074b211a.gz is an FCIDUMP file.
-2024-12-09 10:30:05,667 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,667 - INFO - instance_data_object_uuid 8fc9b179-ff7d-4402-b0cf-18ec074b211a is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,667 - INFO - task UUID: a2ad41b8-37bb-44e1-be3e-df1052952e9c...
-2024-12-09 10:30:05,667 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,667 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,667 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,669 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,669 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,669 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,669 - INFO - supporting data file UUID: 1a42101c-3c00-4105-8ed3-9275bf0d18db.
-2024-12-09 10:30:05,669 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz.
-2024-12-09 10:30:05,669 - INFO - assuming FCIDUMP_g_bent_b_cc-pvdz.1a42101c-3c00-4105-8ed3-9275bf0d18db.gz is an FCIDUMP file.
-2024-12-09 10:30:05,686 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,687 - INFO - instance_data_object_uuid 1a42101c-3c00-4105-8ed3-9275bf0d18db is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,687 - INFO - task UUID: b4968ccd-6711-4173-8f80-f16094b3e0cd...
-2024-12-09 10:30:05,687 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,687 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,687 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,688 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,689 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,689 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,689 - INFO - supporting data file UUID: 93698b08-3188-4961-b551-50ac2c1e62b3.
-2024-12-09 10:30:05,689 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz.
-2024-12-09 10:30:05,689 - INFO - assuming FCIDUMP_g_bent_b_sto-3g.93698b08-3188-4961-b551-50ac2c1e62b3.gz is an FCIDUMP file.
-2024-12-09 10:30:05,707 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,707 - INFO - instance_data_object_uuid 93698b08-3188-4961-b551-50ac2c1e62b3 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,707 - INFO - task UUID: ee2925f1-a302-4c21-b33c-5cb30b10270f...
-2024-12-09 10:30:05,707 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,707 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,707 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,709 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,710 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,710 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,710 - INFO - supporting data file UUID: 8b6ad6f7-f004-4941-95b2-829eb3723c8d.
-2024-12-09 10:30:05,710 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz.
-2024-12-09 10:30:05,710 - INFO - assuming FCIDUMP_g_bent_b_cc-pvtz.8b6ad6f7-f004-4941-95b2-829eb3723c8d.gz is an FCIDUMP file.
-2024-12-09 10:30:05,727 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,728 - INFO - instance_data_object_uuid 8b6ad6f7-f004-4941-95b2-829eb3723c8d is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,728 - INFO - parsing ../problem_instances/problem_instance.c_h2_singlet_0.7ca1486c-06a5-47c1-b8ab-eab491ffc68b.json
-2024-12-09 10:30:05,728 - INFO - problem_instance UUID: 7ca1486c-06a5-47c1-b8ab-eab491ffc68b
-2024-12-09 10:30:05,728 - INFO - problem_instance short name: c_h2_singlet_0
-2024-12-09 10:30:05,728 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,728 - INFO - task UUID: 5f0ac7ac-1dcc-46a6-bfa0-6e76c73a0bdd...
-2024-12-09 10:30:05,730 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,730 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,730 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,730 - INFO - supporting data file UUID: 290cfb48-dbdd-4915-bbaf-b0bc69fa070c.
-2024-12-09 10:30:05,730 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz.
-2024-12-09 10:30:05,730 - INFO - assuming fcidump.c_h2_singlet_cc-pVDZ.290cfb48-dbdd-4915-bbaf-b0bc69fa070c.gz is an FCIDUMP file.
-2024-12-09 10:30:05,747 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,747 - INFO - instance_data_object_uuid 290cfb48-dbdd-4915-bbaf-b0bc69fa070c is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,747 - INFO - supporting data file UUID: c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.
-2024-12-09 10:30:05,747 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk.
-2024-12-09 10:30:05,747 - INFO - assuming c_h2_singlet_cc-pVDZ.c8a8bb7f-6183-4ee2-83f9-ca7dc4127c36.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,747 - INFO - task UUID: 6a16e45d-545d-4827-9617-3c83fb323a97...
-2024-12-09 10:30:05,749 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,749 - INFO - number of orbitals:  115
-2024-12-09 10:30:05,749 - INFO - too many orbitals!  we are only considering max_num_orbitals 105.
-2024-12-09 10:30:05,749 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:05,749 - INFO - moving on ...
-2024-12-09 10:30:05,749 - INFO - task UUID: 8fa0ddcf-9b98-4144-8250-522f38c28b02...
-2024-12-09 10:30:05,750 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,751 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,751 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,751 - INFO - supporting data file UUID: 59fca8b4-25f4-44f7-b961-34d6a4037051.
-2024-12-09 10:30:05,751 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz.
-2024-12-09 10:30:05,751 - INFO - assuming fcidump.c_h2_singlet_cc-pVTZ.59fca8b4-25f4-44f7-b961-34d6a4037051.gz is an FCIDUMP file.
-2024-12-09 10:30:05,767 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,768 - INFO - instance_data_object_uuid 59fca8b4-25f4-44f7-b961-34d6a4037051 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,768 - INFO - supporting data file UUID: 3accd35c-ae52-4f9b-9a98-a9069b1768d3.
-2024-12-09 10:30:05,768 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk.
-2024-12-09 10:30:05,768 - INFO - assuming c_h2_singlet_cc-pVTZ.3accd35c-ae52-4f9b-9a98-a9069b1768d3.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,768 - INFO - parsing ../problem_instances/problem_instance.VO_0.bcc86483-2a7e-4271-b6fc-238ef5e682f6.json
-2024-12-09 10:30:05,768 - INFO - problem_instance UUID: bcc86483-2a7e-4271-b6fc-238ef5e682f6
-2024-12-09 10:30:05,768 - INFO - problem_instance short name: VO_0
-2024-12-09 10:30:05,768 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,768 - INFO - task UUID: 63c089b2-1940-4301-89d6-93ecc98c07f1...
-2024-12-09 10:30:05,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,770 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,770 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,770 - INFO - supporting data file UUID: c6137fbe-c5ef-4572-9e3a-3261e9acaca0.
-2024-12-09 10:30:05,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz.
-2024-12-09 10:30:05,770 - INFO - assuming fcidump.VO_vdz.c6137fbe-c5ef-4572-9e3a-3261e9acaca0.gz is an FCIDUMP file.
-2024-12-09 10:30:05,786 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,787 - INFO - instance_data_object_uuid c6137fbe-c5ef-4572-9e3a-3261e9acaca0 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,787 - INFO - supporting data file UUID: 033989fa-5cc5-4ca2-8e7a-a567b823a18f.
-2024-12-09 10:30:05,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk.
-2024-12-09 10:30:05,787 - INFO - assuming VO_vdz.033989fa-5cc5-4ca2-8e7a-a567b823a18f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:05,787 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0005.7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13.json
-2024-12-09 10:30:05,787 - INFO - problem_instance UUID: 7e0fb928-b0a9-4b44-89f1-7e0ee3b2bb13
-2024-12-09 10:30:05,788 - INFO - problem_instance short name: planted_solution_0005
-2024-12-09 10:30:05,788 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,788 - INFO - task UUID: a41a284c-7baa-438e-9323-532091c7a78f...
-2024-12-09 10:30:05,789 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,789 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,789 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,789 - INFO - supporting data file UUID: 0ddeaaab-a6ef-436b-8189-290afa6408ea.
-2024-12-09 10:30:05,789 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz.
-2024-12-09 10:30:05,789 - INFO - assuming fcidump.planted_solution_0005.0ddeaaab-a6ef-436b-8189-290afa6408ea.gz is an FCIDUMP file.
-2024-12-09 10:30:05,806 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,806 - INFO - instance_data_object_uuid 0ddeaaab-a6ef-436b-8189-290afa6408ea is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,806 - INFO - parsing ../problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json
-2024-12-09 10:30:05,807 - INFO - problem_instance UUID: 7213642b-5f16-48be-d5e5-2bc42ebb8526
-2024-12-09 10:30:05,807 - INFO - problem_instance short name: ru_mono
-2024-12-09 10:30:05,807 - INFO - contains 6 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,807 - INFO - task UUID: 5509795a-90ce-45d6-b03d-db956a5da5b2...
-2024-12-09 10:30:05,807 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,807 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,807 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,808 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,809 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,809 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,809 - INFO - supporting data file UUID: cb60079d-5a30-4e3a-89d5-dbe95822df5e.
-2024-12-09 10:30:05,809 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz.
-2024-12-09 10:30:05,809 - INFO - assuming fcidump.32_2ru_III_3pl_noncan_0.2_new.cb60079d-5a30-4e3a-89d5-dbe95822df5e.gz is an FCIDUMP file.
-2024-12-09 10:30:05,825 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,826 - INFO - instance_data_object_uuid cb60079d-5a30-4e3a-89d5-dbe95822df5e is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,826 - INFO - task UUID: bc3520b5-bf25-4a43-892c-8d7e9a690fe2...
-2024-12-09 10:30:05,826 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,826 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,826 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,827 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,828 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,828 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,828 - INFO - supporting data file UUID: 4811297e-a8df-4150-9d4d-376fd0c6e9cd.
-2024-12-09 10:30:05,828 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz.
-2024-12-09 10:30:05,828 - INFO - assuming fcidump.33_2ru_III_3pl_noncan_0.2_new.4811297e-a8df-4150-9d4d-376fd0c6e9cd.gz is an FCIDUMP file.
-2024-12-09 10:30:05,845 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,845 - INFO - instance_data_object_uuid 4811297e-a8df-4150-9d4d-376fd0c6e9cd is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,845 - INFO - task UUID: d937e005-3688-4138-9465-426798087395...
-2024-12-09 10:30:05,845 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,845 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,845 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,847 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,847 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,847 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,847 - INFO - supporting data file UUID: 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.
-2024-12-09 10:30:05,847 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz.
-2024-12-09 10:30:05,848 - INFO - assuming fcidump.34_3ruo_IV_2pl_noncan_0.2_new.30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b.gz is an FCIDUMP file.
-2024-12-09 10:30:05,864 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,865 - INFO - instance_data_object_uuid 30c3e4f9-1b24-4fe5-9cab-ad0b67e0d74b is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,865 - INFO - task UUID: ace55695-1ca9-4153-8fd4-55ed6658cf8c...
-2024-12-09 10:30:05,865 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,865 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,865 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,866 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,867 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,867 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,867 - INFO - supporting data file UUID: a2417602-4e97-4395-b3f0-1e29262c8053.
-2024-12-09 10:30:05,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz.
-2024-12-09 10:30:05,867 - INFO - assuming fcidump.35_3ruo_IV_2pl_noncan_0.2_new.a2417602-4e97-4395-b3f0-1e29262c8053.gz is an FCIDUMP file.
-2024-12-09 10:30:05,885 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,885 - INFO - instance_data_object_uuid a2417602-4e97-4395-b3f0-1e29262c8053 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,885 - INFO - task UUID: dab492c3-27fe-4ac3-8c98-de2563caf66c...
-2024-12-09 10:30:05,885 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,886 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,886 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,887 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,888 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,888 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,888 - INFO - supporting data file UUID: 51f7d629-9a0e-4688-8562-59a5f0c0a404.
-2024-12-09 10:30:05,888 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz.
-2024-12-09 10:30:05,888 - INFO - assuming fcidump.36_1ru_II_2pl_noncan_0.2_new.51f7d629-9a0e-4688-8562-59a5f0c0a404.gz is an FCIDUMP file.
-2024-12-09 10:30:05,904 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,904 - INFO - instance_data_object_uuid 51f7d629-9a0e-4688-8562-59a5f0c0a404 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,904 - INFO - task UUID: a475af8e-cb0b-4533-906d-a6b8eda313e7...
-2024-12-09 10:30:05,904 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,904 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,904 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,906 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,906 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,906 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,906 - INFO - supporting data file UUID: 7be1766a-b3f7-4779-9a69-f4358645831b.
-2024-12-09 10:30:05,907 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz.
-2024-12-09 10:30:05,907 - INFO - assuming fcidump.37_1ru_II_2pl_noncan_0.2_new.7be1766a-b3f7-4779-9a69-f4358645831b.gz is an FCIDUMP file.
-2024-12-09 10:30:05,923 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,923 - INFO - instance_data_object_uuid 7be1766a-b3f7-4779-9a69-f4358645831b is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,924 - INFO - parsing ../problem_instances/problem_instance.mo2_n2.90d4e4fc-1216-4846-b45f-198c0530e29b.json
-2024-12-09 10:30:05,924 - INFO - problem_instance UUID: 90d4e4fc-1216-4846-b45f-198c0530e29b
-2024-12-09 10:30:05,924 - INFO - problem_instance short name: mo2_n2
-2024-12-09 10:30:05,924 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,924 - INFO - task UUID: e3a07092-d1e5-4867-a4d7-d0258f9df6db...
-2024-12-09 10:30:05,924 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,924 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,925 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,926 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,927 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,927 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,927 - INFO - supporting data file UUID: 09c3ddd5-0187-46e8-95c3-157c470cb69a.
-2024-12-09 10:30:05,927 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz.
-2024-12-09 10:30:05,927 - INFO - assuming fcidump.13_1_lut_ts_noncan_0.2_new.09c3ddd5-0187-46e8-95c3-157c470cb69a.gz is an FCIDUMP file.
-2024-12-09 10:30:05,943 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,944 - INFO - instance_data_object_uuid 09c3ddd5-0187-46e8-95c3-157c470cb69a is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,944 - INFO - task UUID: 138733f0-08f5-4077-b848-813c8ec53c79...
-2024-12-09 10:30:05,944 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,944 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,944 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,945 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,946 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,946 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,946 - INFO - supporting data file UUID: f36a9dbc-c34a-401f-8ea6-dc996d785edf.
-2024-12-09 10:30:05,946 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz.
-2024-12-09 10:30:05,946 - INFO - assuming fcidump.14_1_lut_prod_noncan_0.2_new.f36a9dbc-c34a-401f-8ea6-dc996d785edf.gz is an FCIDUMP file.
-2024-12-09 10:30:05,963 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,963 - INFO - instance_data_object_uuid f36a9dbc-c34a-401f-8ea6-dc996d785edf is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,963 - INFO - task UUID: 79b74ad4-afa8-458f-87a3-a5ec339056c6...
-2024-12-09 10:30:05,963 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:05,963 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:05,963 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:05,965 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,965 - INFO - number of supporting files: 1
-2024-12-09 10:30:05,965 - INFO - supporting data file UUID: 9cba211b-820c-4ad4-a050-336e8049e1c7.
-2024-12-09 10:30:05,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz.
-2024-12-09 10:30:05,966 - INFO - assuming fcidump.15_1_lut_react_noncan_0.2_new.9cba211b-820c-4ad4-a050-336e8049e1c7.gz is an FCIDUMP file.
-2024-12-09 10:30:05,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:05,982 - INFO - instance_data_object_uuid 9cba211b-820c-4ad4-a050-336e8049e1c7 is already in the feature database.  Skipping it!
-2024-12-09 10:30:05,982 - INFO - parsing ../problem_instances/problem_instance.MnO_0.e2212cdf-adef-454a-b218-05041d723c55.json
-2024-12-09 10:30:05,983 - INFO - problem_instance UUID: e2212cdf-adef-454a-b218-05041d723c55
-2024-12-09 10:30:05,983 - INFO - problem_instance short name: MnO_0
-2024-12-09 10:30:05,983 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:05,983 - INFO - task UUID: f0ee8150-86e2-4f9e-ae35-95af38f3c69e...
-2024-12-09 10:30:05,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:05,984 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:05,984 - INFO - number of supporting files: 2
-2024-12-09 10:30:05,985 - INFO - supporting data file UUID: 55355f72-52f0-427d-b5ac-3b41666ca5fb.
-2024-12-09 10:30:05,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz.
-2024-12-09 10:30:05,985 - INFO - assuming fcidump.MnO_vdz.55355f72-52f0-427d-b5ac-3b41666ca5fb.gz is an FCIDUMP file.
-2024-12-09 10:30:06,002 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,002 - INFO - instance_data_object_uuid 55355f72-52f0-427d-b5ac-3b41666ca5fb is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,002 - INFO - supporting data file UUID: fcdc3853-9542-4586-a0bc-9ec19df6a63a.
-2024-12-09 10:30:06,002 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk.
-2024-12-09 10:30:06,002 - INFO - assuming MnO_vdz.fcdc3853-9542-4586-a0bc-9ec19df6a63a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,002 - INFO - parsing ../problem_instances/problem_instance.mo_n2_pincer.8a3787cc-d3d0-42a8-d9a9-7de2aed45208.json
-2024-12-09 10:30:06,003 - INFO - problem_instance UUID: 8a3787cc-d3d0-42a8-d9a9-7de2aed45208
-2024-12-09 10:30:06,003 - INFO - problem_instance short name: mo_n2_pincer
-2024-12-09 10:30:06,003 - INFO - contains 16 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,003 - INFO - task UUID: aaae8d93-cb88-41ee-8f11-c70cc9b0d7fb...
-2024-12-09 10:30:06,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,004 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,005 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,006 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,006 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,006 - INFO - supporting data file UUID: 4476d0ff-9618-4774-9619-e3f223249cea.
-2024-12-09 10:30:06,006 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz.
-2024-12-09 10:30:06,006 - INFO - assuming fcidump.16_ts_1over4a_noncan_0.2_new.4476d0ff-9618-4774-9619-e3f223249cea.gz is an FCIDUMP file.
-2024-12-09 10:30:06,024 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,024 - INFO - instance_data_object_uuid 4476d0ff-9618-4774-9619-e3f223249cea is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,024 - INFO - task UUID: 5547bb48-fac6-4426-91ad-c4853ce421aa...
-2024-12-09 10:30:06,024 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,025 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,025 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,026 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,027 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,027 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,027 - INFO - supporting data file UUID: d74d0c01-8507-445b-bec1-f02bafbbfaab.
-2024-12-09 10:30:06,027 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz.
-2024-12-09 10:30:06,027 - INFO - assuming fcidump.17_ts_1over4a_noncan_0.2_new.d74d0c01-8507-445b-bec1-f02bafbbfaab.gz is an FCIDUMP file.
-2024-12-09 10:30:06,044 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,044 - INFO - instance_data_object_uuid d74d0c01-8507-445b-bec1-f02bafbbfaab is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,044 - INFO - task UUID: db75bf65-181b-40c2-b978-26453437c2b0...
-2024-12-09 10:30:06,044 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,044 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,045 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,046 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,047 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,047 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,047 - INFO - supporting data file UUID: f6516937-6182-4dae-a39c-f94c0d72bf70.
-2024-12-09 10:30:06,047 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz.
-2024-12-09 10:30:06,047 - INFO - assuming fcidump.18_I_noncan_0.2_new.f6516937-6182-4dae-a39c-f94c0d72bf70.gz is an FCIDUMP file.
-2024-12-09 10:30:06,064 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,065 - INFO - instance_data_object_uuid f6516937-6182-4dae-a39c-f94c0d72bf70 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,065 - INFO - task UUID: ab482d50-9a85-48d9-aa17-83dcbb38614b...
-2024-12-09 10:30:06,065 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,065 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,065 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,066 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,067 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,067 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,067 - INFO - supporting data file UUID: 53abfc75-37a3-440c-a023-6e4cbffecd6a.
-2024-12-09 10:30:06,067 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz.
-2024-12-09 10:30:06,067 - INFO - assuming fcidump.19_I_noncan_0.2_new.53abfc75-37a3-440c-a023-6e4cbffecd6a.gz is an FCIDUMP file.
-2024-12-09 10:30:06,084 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,085 - INFO - instance_data_object_uuid 53abfc75-37a3-440c-a023-6e4cbffecd6a is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,085 - INFO - task UUID: b628f4be-582f-4f23-96eb-c8b9e0005e4a...
-2024-12-09 10:30:06,085 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,085 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,085 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,086 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,087 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,087 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,087 - INFO - supporting data file UUID: 3527a125-6e74-4df9-a9ac-ebba7d8b84ff.
-2024-12-09 10:30:06,087 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz.
-2024-12-09 10:30:06,087 - INFO - assuming fcidump.20_rc_noncan_0.2_new.3527a125-6e74-4df9-a9ac-ebba7d8b84ff.gz is an FCIDUMP file.
-2024-12-09 10:30:06,104 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,105 - INFO - instance_data_object_uuid 3527a125-6e74-4df9-a9ac-ebba7d8b84ff is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,105 - INFO - task UUID: c436c481-00d1-49ec-8d0e-0a5e83a8df19...
-2024-12-09 10:30:06,105 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,105 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,105 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,106 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,107 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,107 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,107 - INFO - supporting data file UUID: 7fc6d81a-8e1c-436f-ade2-93aed1dfee42.
-2024-12-09 10:30:06,107 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz.
-2024-12-09 10:30:06,108 - INFO - assuming fcidump.21_rc_noncan_0.2_new.7fc6d81a-8e1c-436f-ade2-93aed1dfee42.gz is an FCIDUMP file.
-2024-12-09 10:30:06,125 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,125 - INFO - instance_data_object_uuid 7fc6d81a-8e1c-436f-ade2-93aed1dfee42 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,125 - INFO - task UUID: 349e9cbe-d675-411f-b6b8-be846c27902c...
-2024-12-09 10:30:06,125 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,125 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,126 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,127 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,128 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,128 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,128 - INFO - supporting data file UUID: 2e1dab84-5b1a-4521-8d36-78117ab88bbd.
-2024-12-09 10:30:06,128 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz.
-2024-12-09 10:30:06,128 - INFO - assuming fcidump.22_pc-_noncan_0.2_new.2e1dab84-5b1a-4521-8d36-78117ab88bbd.gz is an FCIDUMP file.
-2024-12-09 10:30:06,145 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,146 - INFO - instance_data_object_uuid 2e1dab84-5b1a-4521-8d36-78117ab88bbd is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,146 - INFO - task UUID: 3eccbccf-e84a-44b9-b775-cef772cd84f0...
-2024-12-09 10:30:06,146 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,146 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,146 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,147 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,148 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,148 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,148 - INFO - supporting data file UUID: 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.
-2024-12-09 10:30:06,148 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz.
-2024-12-09 10:30:06,148 - INFO - assuming fcidump.23_pc-_noncan_0.2_new.21b0efe8-adc7-44c2-ac49-671cc4b4a1ee.gz is an FCIDUMP file.
-2024-12-09 10:30:06,165 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,166 - INFO - instance_data_object_uuid 21b0efe8-adc7-44c2-ac49-671cc4b4a1ee is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,166 - INFO - task UUID: 4c240146-6b8b-4fa5-88e4-41cbd39c8ac3...
-2024-12-09 10:30:06,166 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,166 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,166 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,167 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,168 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,168 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,168 - INFO - supporting data file UUID: b96f67e6-fafe-4ccd-ac6f-67afb52f3835.
-2024-12-09 10:30:06,168 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz.
-2024-12-09 10:30:06,168 - INFO - assuming fcidump.24_ts_1over2_noncan_0.2_new.b96f67e6-fafe-4ccd-ac6f-67afb52f3835.gz is an FCIDUMP file.
-2024-12-09 10:30:06,184 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,184 - INFO - instance_data_object_uuid b96f67e6-fafe-4ccd-ac6f-67afb52f3835 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,185 - INFO - task UUID: c582e543-075c-4fa1-b189-5e7455286d82...
-2024-12-09 10:30:06,185 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,185 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,185 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,186 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,187 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,187 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,187 - INFO - supporting data file UUID: 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.
-2024-12-09 10:30:06,187 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz.
-2024-12-09 10:30:06,187 - INFO - assuming fcidump.25_ts_1over2_noncan_0.2_new.47f67a0f-a385-405d-9ac6-2e22f8ceb8e4.gz is an FCIDUMP file.
-2024-12-09 10:30:06,204 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,204 - INFO - instance_data_object_uuid 47f67a0f-a385-405d-9ac6-2e22f8ceb8e4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,204 - INFO - task UUID: 3fa3940d-8a68-44ae-9223-7346404651e6...
-2024-12-09 10:30:06,204 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,204 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,205 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,206 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,207 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,207 - INFO - supporting data file UUID: bed1771c-394c-44e6-93e3-ca41732326d2.
-2024-12-09 10:30:06,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz.
-2024-12-09 10:30:06,207 - INFO - assuming fcidump.26_pc_noncan_0.2_new.bed1771c-394c-44e6-93e3-ca41732326d2.gz is an FCIDUMP file.
-2024-12-09 10:30:06,224 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,225 - INFO - instance_data_object_uuid bed1771c-394c-44e6-93e3-ca41732326d2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,225 - INFO - task UUID: eadd62e9-ee3d-4193-94de-7735a529edce...
-2024-12-09 10:30:06,225 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,225 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,225 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,226 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,227 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,227 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,227 - INFO - supporting data file UUID: 98016425-092d-41a4-b397-9b4b237c582a.
-2024-12-09 10:30:06,227 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz.
-2024-12-09 10:30:06,227 - INFO - assuming fcidump.27_pc_noncan_0.2_new.98016425-092d-41a4-b397-9b4b237c582a.gz is an FCIDUMP file.
-2024-12-09 10:30:06,244 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,245 - INFO - instance_data_object_uuid 98016425-092d-41a4-b397-9b4b237c582a is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,245 - INFO - task UUID: b900c4a3-fe87-4df7-96b7-2767ccdc1d56...
-2024-12-09 10:30:06,245 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,245 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,245 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,247 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,247 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,248 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,248 - INFO - supporting data file UUID: e03635b0-a537-4a58-9f3e-c7114715e47d.
-2024-12-09 10:30:06,248 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz.
-2024-12-09 10:30:06,248 - INFO - assuming fcidump.28_2_noncan_0.2_new.e03635b0-a537-4a58-9f3e-c7114715e47d.gz is an FCIDUMP file.
-2024-12-09 10:30:06,269 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,270 - INFO - instance_data_object_uuid e03635b0-a537-4a58-9f3e-c7114715e47d is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,270 - INFO - task UUID: 7fc4c1d7-3469-40a3-9cd8-4354b6acf01d...
-2024-12-09 10:30:06,270 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,270 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,270 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,272 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,272 - INFO - supporting data file UUID: f7797f63-30ab-40e0-8ca6-042c9aa932b4.
-2024-12-09 10:30:06,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz.
-2024-12-09 10:30:06,273 - INFO - assuming fcidump.29_2_noncan_0.2_new.f7797f63-30ab-40e0-8ca6-042c9aa932b4.gz is an FCIDUMP file.
-2024-12-09 10:30:06,289 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,289 - INFO - instance_data_object_uuid f7797f63-30ab-40e0-8ca6-042c9aa932b4 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,289 - INFO - task UUID: 09b81c3d-aee1-4bc3-98ce-a72da477b108...
-2024-12-09 10:30:06,289 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,290 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,290 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,291 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,292 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,292 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,292 - INFO - supporting data file UUID: e701d53e-63fe-47f1-b727-39457c9207e6.
-2024-12-09 10:30:06,292 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz.
-2024-12-09 10:30:06,292 - INFO - assuming fcidump.30_4a_noncan_0.2_new.e701d53e-63fe-47f1-b727-39457c9207e6.gz is an FCIDUMP file.
-2024-12-09 10:30:06,308 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,309 - INFO - instance_data_object_uuid e701d53e-63fe-47f1-b727-39457c9207e6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,309 - INFO - task UUID: 87d59f7c-e397-42dc-aa6e-00200d8697aa...
-2024-12-09 10:30:06,309 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,309 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,309 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,310 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,311 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,311 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,311 - INFO - supporting data file UUID: 21abd0b3-b2cb-4a8a-812e-a8706542f429.
-2024-12-09 10:30:06,311 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz.
-2024-12-09 10:30:06,311 - INFO - assuming fcidump.31_4a_noncan_0.2_new.21abd0b3-b2cb-4a8a-812e-a8706542f429.gz is an FCIDUMP file.
-2024-12-09 10:30:06,328 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,329 - INFO - instance_data_object_uuid 21abd0b3-b2cb-4a8a-812e-a8706542f429 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,329 - INFO - parsing ../problem_instances/problem_instance.c_o2_0.3987b2dd-25bc-44e2-b516-dbc3f670a9c3.json
-2024-12-09 10:30:06,329 - INFO - problem_instance UUID: 3987b2dd-25bc-44e2-b516-dbc3f670a9c3
-2024-12-09 10:30:06,329 - INFO - problem_instance short name: c_o2_0
-2024-12-09 10:30:06,329 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,329 - INFO - task UUID: 615c9d78-2b84-4c7b-ab6b-ba05b188f50a...
-2024-12-09 10:30:06,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,331 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,331 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,331 - INFO - supporting data file UUID: b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.
-2024-12-09 10:30:06,331 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz.
-2024-12-09 10:30:06,331 - INFO - assuming fcidump.c_o2_cc-pVDZ.b45cfaee-dd16-4f80-963d-ab0f9cc4dab5.gz is an FCIDUMP file.
-2024-12-09 10:30:06,348 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,348 - INFO - instance_data_object_uuid b45cfaee-dd16-4f80-963d-ab0f9cc4dab5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,348 - INFO - supporting data file UUID: 6220544f-c707-41a9-ad9a-40ff8ecd9806.
-2024-12-09 10:30:06,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk.
-2024-12-09 10:30:06,348 - INFO - assuming c_o2_cc-pVDZ.6220544f-c707-41a9-ad9a-40ff8ecd9806.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,348 - INFO - task UUID: a091c1a1-bde2-4a83-bf58-5010f7a8e1d4...
-2024-12-09 10:30:06,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,350 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,350 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,350 - INFO - supporting data file UUID: 0ffd2489-0b50-49b6-9e6e-7607f14102a9.
-2024-12-09 10:30:06,350 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz.
-2024-12-09 10:30:06,350 - INFO - assuming fcidump.c_o2_cc-pVTZ.0ffd2489-0b50-49b6-9e6e-7607f14102a9.gz is an FCIDUMP file.
-2024-12-09 10:30:06,366 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,367 - INFO - instance_data_object_uuid 0ffd2489-0b50-49b6-9e6e-7607f14102a9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,367 - INFO - supporting data file UUID: b7c6b59b-435b-47e0-8f7b-d2e3b5573437.
-2024-12-09 10:30:06,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk.
-2024-12-09 10:30:06,367 - INFO - assuming c_o2_cc-pVTZ.b7c6b59b-435b-47e0-8f7b-d2e3b5573437.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,367 - INFO - parsing ../problem_instances/problem_instance.cl2_0.0e393c20-3915-42b9-a8aa-29bf53548269.json
-2024-12-09 10:30:06,367 - INFO - problem_instance UUID: 0e393c20-3915-42b9-a8aa-29bf53548269
-2024-12-09 10:30:06,367 - INFO - problem_instance short name: cl2_0
-2024-12-09 10:30:06,367 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,367 - INFO - task UUID: c01649e2-8c5c-4827-a037-1ede2159e558...
-2024-12-09 10:30:06,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,369 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,369 - INFO - supporting data file UUID: 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.
-2024-12-09 10:30:06,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz.
-2024-12-09 10:30:06,369 - INFO - assuming fcidump.cl2_cc-pVDZ.8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52.gz is an FCIDUMP file.
-2024-12-09 10:30:06,386 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,386 - INFO - instance_data_object_uuid 8d4aaf5e-4bca-4e5b-9fb0-2556228f5c52 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,386 - INFO - supporting data file UUID: 5277b7f4-854c-45a4-a98e-95db9b40c071.
-2024-12-09 10:30:06,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk.
-2024-12-09 10:30:06,387 - INFO - assuming cl2_cc-pVDZ.5277b7f4-854c-45a4-a98e-95db9b40c071.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,387 - INFO - task UUID: 214bb702-d7bc-4141-8cf3-f6979ba0f67a...
-2024-12-09 10:30:06,388 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,388 - INFO - number of orbitals:  118
-2024-12-09 10:30:06,388 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:06,388 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:06,388 - INFO - moving on ...
-2024-12-09 10:30:06,388 - INFO - task UUID: 35e4c771-0f4f-4413-b42f-132f1e606cb0...
-2024-12-09 10:30:06,390 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,390 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,390 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,390 - INFO - supporting data file UUID: 781d0704-7a95-4183-9c50-cbdbd976884a.
-2024-12-09 10:30:06,390 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz.
-2024-12-09 10:30:06,390 - INFO - assuming fcidump.cl2_cc-pVTZ.781d0704-7a95-4183-9c50-cbdbd976884a.gz is an FCIDUMP file.
-2024-12-09 10:30:06,407 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,407 - INFO - instance_data_object_uuid 781d0704-7a95-4183-9c50-cbdbd976884a is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,407 - INFO - supporting data file UUID: 27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.
-2024-12-09 10:30:06,407 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk.
-2024-12-09 10:30:06,407 - INFO - assuming cl2_cc-pVTZ.27d1c1c2-cd2f-4637-bb4c-b1535dff60a5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,407 - INFO - parsing ../problem_instances/problem_instance.Cu_0.1448d27d-bfa9-470f-a6c8-864a295b66f4.json
-2024-12-09 10:30:06,407 - INFO - problem_instance UUID: 1448d27d-bfa9-470f-a6c8-864a295b66f4
-2024-12-09 10:30:06,408 - INFO - problem_instance short name: Cu_0
-2024-12-09 10:30:06,408 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,408 - INFO - task UUID: 7f0518e8-e2c8-4912-8268-4de4cd504084...
-2024-12-09 10:30:06,409 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,409 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,409 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,409 - INFO - supporting data file UUID: 48434e2f-f09e-474e-b98c-af180386a258.
-2024-12-09 10:30:06,409 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz.
-2024-12-09 10:30:06,409 - INFO - assuming fcidump.Cu0_vdz.48434e2f-f09e-474e-b98c-af180386a258.gz is an FCIDUMP file.
-2024-12-09 10:30:06,427 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,428 - INFO - instance_data_object_uuid 48434e2f-f09e-474e-b98c-af180386a258 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,428 - INFO - supporting data file UUID: 08885387-3319-4489-9487-56a333abf06b.
-2024-12-09 10:30:06,428 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk.
-2024-12-09 10:30:06,428 - INFO - assuming Cu0_vdz.08885387-3319-4489-9487-56a333abf06b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,428 - INFO - task UUID: 0f5171c4-cf55-4a82-99a2-c72edebce9c9...
-2024-12-09 10:30:06,429 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,430 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,430 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,430 - INFO - supporting data file UUID: e304b6b5-b820-470d-a8b5-92d6354abd16.
-2024-12-09 10:30:06,430 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz.
-2024-12-09 10:30:06,430 - INFO - assuming fcidump.Cu0_vtz.e304b6b5-b820-470d-a8b5-92d6354abd16.gz is an FCIDUMP file.
-2024-12-09 10:30:06,446 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,446 - INFO - instance_data_object_uuid e304b6b5-b820-470d-a8b5-92d6354abd16 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,447 - INFO - supporting data file UUID: 34a02644-d0a3-4e3b-987c-c7962587f41a.
-2024-12-09 10:30:06,447 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk.
-2024-12-09 10:30:06,447 - INFO - assuming Cu0_vtz.34a02644-d0a3-4e3b-987c-c7962587f41a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,447 - INFO - parsing ../problem_instances/problem_instance.si2_h6_0.0c1dfb55-f021-409a-80b1-79c8c2908095.json
-2024-12-09 10:30:06,447 - INFO - problem_instance UUID: 0c1dfb55-f021-409a-80b1-79c8c2908095
-2024-12-09 10:30:06,447 - INFO - problem_instance short name: si2_h6_0
-2024-12-09 10:30:06,447 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,447 - INFO - task UUID: 109f95c5-8561-458c-8f41-72be596b87e6...
-2024-12-09 10:30:06,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,449 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,449 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,449 - INFO - supporting data file UUID: bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.
-2024-12-09 10:30:06,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz.
-2024-12-09 10:30:06,449 - INFO - assuming fcidump.si2_h6_cc-pVDZ.bdb74fe0-4d88-4e9f-8354-7ff891c21b5b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,466 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,466 - INFO - instance_data_object_uuid bdb74fe0-4d88-4e9f-8354-7ff891c21b5b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,466 - INFO - supporting data file UUID: 6494dcb3-de3a-4bd2-bd92-a121241b95aa.
-2024-12-09 10:30:06,466 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk.
-2024-12-09 10:30:06,467 - INFO - assuming si2_h6_cc-pVDZ.6494dcb3-de3a-4bd2-bd92-a121241b95aa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,467 - INFO - parsing ../problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json
-2024-12-09 10:30:06,467 - INFO - problem_instance UUID: dc8bdc56-5ebd-4996-6b81-81b1a06d8c76
-2024-12-09 10:30:06,467 - INFO - problem_instance short name: blue_dimer
-2024-12-09 10:30:06,467 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,467 - INFO - task UUID: 9da97ef6-4bad-4c82-8576-9b8e539a7ba8...
-2024-12-09 10:30:06,467 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,467 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,467 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,469 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,470 - INFO - supporting data file UUID: 46967cfc-d867-40e8-bef0-9655c46cef29.
-2024-12-09 10:30:06,470 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz.
-2024-12-09 10:30:06,470 - INFO - assuming fcidump.38_1_ts_noncan_0.2_new.46967cfc-d867-40e8-bef0-9655c46cef29.gz is an FCIDUMP file.
-2024-12-09 10:30:06,487 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,487 - INFO - instance_data_object_uuid 46967cfc-d867-40e8-bef0-9655c46cef29 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,487 - INFO - task UUID: f20db1b1-86e3-4ddf-96ff-a6d37f331935...
-2024-12-09 10:30:06,488 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,488 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,488 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,489 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,490 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,490 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,490 - INFO - supporting data file UUID: 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.
-2024-12-09 10:30:06,490 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz.
-2024-12-09 10:30:06,490 - INFO - assuming fcidump.39_1_ts_noncan_0.2_new.85d9d818-501e-4a0e-8fd8-c216ab5e3cb5.gz is an FCIDUMP file.
-2024-12-09 10:30:06,507 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,507 - INFO - instance_data_object_uuid 85d9d818-501e-4a0e-8fd8-c216ab5e3cb5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,507 - INFO - task UUID: 742be33c-0982-4b06-b324-1d86242e28d9...
-2024-12-09 10:30:06,507 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,508 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,508 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,509 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,509 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,510 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,510 - INFO - supporting data file UUID: 7db0f859-073f-46af-9325-016a67229a4b.
-2024-12-09 10:30:06,510 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz.
-2024-12-09 10:30:06,510 - INFO - assuming fcidump.40_1_ts_noncan_0.2_new.7db0f859-073f-46af-9325-016a67229a4b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,526 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,527 - INFO - instance_data_object_uuid 7db0f859-073f-46af-9325-016a67229a4b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,527 - INFO - task UUID: 3b49563d-948a-4ecb-84a0-d3c0c2c0d217...
-2024-12-09 10:30:06,527 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,527 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,527 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,528 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,529 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,529 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,529 - INFO - supporting data file UUID: 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.
-2024-12-09 10:30:06,529 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz.
-2024-12-09 10:30:06,529 - INFO - assuming fcidump.41_1_ts_noncan_0.2_new.2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,546 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,547 - INFO - instance_data_object_uuid 2f0b6ced-7831-4fe0-b95e-ce4d456c9c6b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,547 - INFO - task UUID: 950da653-13ce-4cd7-95d8-5045ab03d4bc...
-2024-12-09 10:30:06,547 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,547 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,547 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,549 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,549 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,549 - INFO - supporting data file UUID: a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.
-2024-12-09 10:30:06,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz.
-2024-12-09 10:30:06,549 - INFO - assuming fcidump.42_1_star_noncan_0.2_new.a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae.gz is an FCIDUMP file.
-2024-12-09 10:30:06,566 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,566 - INFO - instance_data_object_uuid a722dd32-93c7-4fbd-9cf5-f1bf44b2cdae is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,566 - INFO - task UUID: 13821f5c-78a6-485c-9006-a17a234cde9f...
-2024-12-09 10:30:06,566 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,567 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,567 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,568 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,569 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,569 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,569 - INFO - supporting data file UUID: d9707874-28d5-48b6-824e-a2e6c8753437.
-2024-12-09 10:30:06,569 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz.
-2024-12-09 10:30:06,569 - INFO - assuming fcidump.43_1_star_noncan_0.2_new.d9707874-28d5-48b6-824e-a2e6c8753437.gz is an FCIDUMP file.
-2024-12-09 10:30:06,585 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,586 - INFO - instance_data_object_uuid d9707874-28d5-48b6-824e-a2e6c8753437 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,586 - INFO - task UUID: 765594e5-44ac-41a2-89a7-f2ac03536379...
-2024-12-09 10:30:06,586 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,586 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,586 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,587 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,588 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,588 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,588 - INFO - supporting data file UUID: 727ab190-e399-4bb6-a9b3-20ae57789bac.
-2024-12-09 10:30:06,588 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz.
-2024-12-09 10:30:06,588 - INFO - assuming fcidump.44_1_star_noncan_0.2_new.727ab190-e399-4bb6-a9b3-20ae57789bac.gz is an FCIDUMP file.
-2024-12-09 10:30:06,605 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,605 - INFO - instance_data_object_uuid 727ab190-e399-4bb6-a9b3-20ae57789bac is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,605 - INFO - task UUID: 858b9683-fc6c-4ebe-8c33-27f0d848f24f...
-2024-12-09 10:30:06,605 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,606 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,606 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,607 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,608 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,608 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,608 - INFO - supporting data file UUID: e986eb83-6b9d-439e-85ca-a9b931eef4a2.
-2024-12-09 10:30:06,608 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz.
-2024-12-09 10:30:06,608 - INFO - assuming fcidump.45_1_star_noncan_0.2_new.e986eb83-6b9d-439e-85ca-a9b931eef4a2.gz is an FCIDUMP file.
-2024-12-09 10:30:06,625 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,625 - INFO - instance_data_object_uuid e986eb83-6b9d-439e-85ca-a9b931eef4a2 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,625 - INFO - task UUID: 1a013e9f-7eab-4a1b-b486-1d9e2d99e754...
-2024-12-09 10:30:06,625 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,626 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,626 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,627 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,628 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,628 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,628 - INFO - supporting data file UUID: 6bf3207c-664b-4ed3-8e74-82b42e277234.
-2024-12-09 10:30:06,628 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz.
-2024-12-09 10:30:06,628 - INFO - assuming fcidump.46_2_noncan_0.2_new.6bf3207c-664b-4ed3-8e74-82b42e277234.gz is an FCIDUMP file.
-2024-12-09 10:30:06,644 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,645 - INFO - instance_data_object_uuid 6bf3207c-664b-4ed3-8e74-82b42e277234 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,645 - INFO - task UUID: 001a0d11-165a-49c5-a334-643023029f40...
-2024-12-09 10:30:06,645 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,645 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,645 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,646 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,647 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,647 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,647 - INFO - supporting data file UUID: fb3ecfad-6450-423e-aa58-d5cddab6f0f6.
-2024-12-09 10:30:06,647 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz.
-2024-12-09 10:30:06,647 - INFO - assuming fcidump.47_2_noncan_0.2_new.fb3ecfad-6450-423e-aa58-d5cddab6f0f6.gz is an FCIDUMP file.
-2024-12-09 10:30:06,664 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,664 - INFO - instance_data_object_uuid fb3ecfad-6450-423e-aa58-d5cddab6f0f6 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,664 - INFO - task UUID: 1c9508e3-b9fe-44f1-ae58-c6339ef43f47...
-2024-12-09 10:30:06,664 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,665 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,665 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,667 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,667 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,667 - INFO - supporting data file UUID: dc406285-bac1-4b99-afbf-06728b7d699b.
-2024-12-09 10:30:06,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz.
-2024-12-09 10:30:06,667 - INFO - assuming fcidump.48_2_noncan_0.2_new.dc406285-bac1-4b99-afbf-06728b7d699b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,683 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,684 - INFO - instance_data_object_uuid dc406285-bac1-4b99-afbf-06728b7d699b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,684 - INFO - task UUID: 6713517a-ab65-4381-aae1-0839dcd6c1a0...
-2024-12-09 10:30:06,684 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,684 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,684 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,685 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,686 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,686 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,686 - INFO - supporting data file UUID: af9d6a83-7898-4c13-80eb-a83a533ebf2d.
-2024-12-09 10:30:06,686 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz.
-2024-12-09 10:30:06,686 - INFO - assuming fcidump.49_2_noncan_0.2_new.af9d6a83-7898-4c13-80eb-a83a533ebf2d.gz is an FCIDUMP file.
-2024-12-09 10:30:06,703 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,703 - INFO - instance_data_object_uuid af9d6a83-7898-4c13-80eb-a83a533ebf2d is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,703 - INFO - parsing ../problem_instances/problem_instance.benzene.f377cc27-366a-45af-b45a-c8478e4b6199.json
-2024-12-09 10:30:06,703 - INFO - problem_instance UUID: f377cc27-366a-45af-b45a-c8478e4b6199
-2024-12-09 10:30:06,704 - INFO - problem_instance short name: benzene
-2024-12-09 10:30:06,704 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,704 - INFO - task UUID: b86457a4-abf4-43c9-9c08-2397e95b7c0f...
-2024-12-09 10:30:06,704 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,704 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,704 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,705 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,706 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,706 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,706 - INFO - supporting data file UUID: 4c655f65-1899-469c-975a-a3caec750697.
-2024-12-09 10:30:06,706 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz.
-2024-12-09 10:30:06,706 - INFO - assuming FCIDUMP_benzene_sto-3g_4c655f65-1899-469c-975a-a3caec750697.gz is an FCIDUMP file.
-2024-12-09 10:30:06,722 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,723 - INFO - instance_data_object_uuid 4c655f65-1899-469c-975a-a3caec750697 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,723 - INFO - task UUID: 7148b36a-0571-4a41-9239-19a97339f68a...
-2024-12-09 10:30:06,723 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,723 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,723 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,724 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,725 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,725 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,725 - INFO - supporting data file UUID: 96ff0e22-a3ab-49f3-aee9-9a1886cbf850.
-2024-12-09 10:30:06,725 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz.
-2024-12-09 10:30:06,725 - INFO - assuming FCIDUMP_benzene_cc-pvdz_96ff0e22-a3ab-49f3-aee9-9a1886cbf850.gz is an FCIDUMP file.
-2024-12-09 10:30:06,742 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,742 - INFO - instance_data_object_uuid 96ff0e22-a3ab-49f3-aee9-9a1886cbf850 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,743 - INFO - parsing ../problem_instances/problem_instance.Cr_1.02a8c4e9-9d15-4742-b4cc-7f47f69da0e5.json
-2024-12-09 10:30:06,743 - INFO - problem_instance UUID: 02a8c4e9-9d15-4742-b4cc-7f47f69da0e5
-2024-12-09 10:30:06,743 - INFO - problem_instance short name: Cr_1
-2024-12-09 10:30:06,743 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,743 - INFO - task UUID: b24b71b9-971a-4aca-9fc0-7198d16ca9ed...
-2024-12-09 10:30:06,744 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,745 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,745 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,745 - INFO - supporting data file UUID: 69a1826c-1bee-4855-8f5f-5df29035bfca.
-2024-12-09 10:30:06,745 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz.
-2024-12-09 10:30:06,745 - INFO - assuming fcidump.Cr1_vdz.69a1826c-1bee-4855-8f5f-5df29035bfca.gz is an FCIDUMP file.
-2024-12-09 10:30:06,763 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,764 - INFO - instance_data_object_uuid 69a1826c-1bee-4855-8f5f-5df29035bfca is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,765 - INFO - supporting data file UUID: 4ead3f70-392f-45e8-aa0d-f5e364d389d7.
-2024-12-09 10:30:06,765 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk.
-2024-12-09 10:30:06,765 - INFO - assuming Cr1_vdz.4ead3f70-392f-45e8-aa0d-f5e364d389d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,765 - INFO - task UUID: e604a906-55fa-4b3f-bf17-c24a30312b84...
-2024-12-09 10:30:06,766 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,767 - INFO - number of orbitals:  135
-2024-12-09 10:30:06,767 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:06,767 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:06,767 - INFO - moving on ...
-2024-12-09 10:30:06,767 - INFO - task UUID: f4b120e9-acd0-4c7c-89e2-cc082f52f5cf...
-2024-12-09 10:30:06,768 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,768 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,768 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,768 - INFO - supporting data file UUID: efaceb68-6fae-491a-bb90-1e3e3463f010.
-2024-12-09 10:30:06,769 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz.
-2024-12-09 10:30:06,769 - INFO - assuming fcidump.Cr1_vtz.efaceb68-6fae-491a-bb90-1e3e3463f010.gz is an FCIDUMP file.
-2024-12-09 10:30:06,785 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,785 - INFO - instance_data_object_uuid efaceb68-6fae-491a-bb90-1e3e3463f010 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,785 - INFO - supporting data file UUID: 94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.
-2024-12-09 10:30:06,785 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk.
-2024-12-09 10:30:06,786 - INFO - assuming Cr1_vtz.94cd9acd-268f-45c1-a101-1f2aa1ba8c7d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,786 - INFO - parsing ../problem_instances/problem_instance.Ti_1.9823b0dd-87b6-4793-9741-e8cbcf2b50c0.json
-2024-12-09 10:30:06,786 - INFO - problem_instance UUID: 9823b0dd-87b6-4793-9741-e8cbcf2b50c0
-2024-12-09 10:30:06,786 - INFO - problem_instance short name: Ti_1
-2024-12-09 10:30:06,786 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,786 - INFO - task UUID: 2cd76a23-0514-458a-b588-94e2d10564d3...
-2024-12-09 10:30:06,787 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,787 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,788 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,788 - INFO - supporting data file UUID: 760e312c-9982-486d-b50e-d9acb003aedc.
-2024-12-09 10:30:06,788 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz.
-2024-12-09 10:30:06,788 - INFO - assuming fcidump.Ti1_vdz.760e312c-9982-486d-b50e-d9acb003aedc.gz is an FCIDUMP file.
-2024-12-09 10:30:06,805 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,805 - INFO - instance_data_object_uuid 760e312c-9982-486d-b50e-d9acb003aedc is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,805 - INFO - supporting data file UUID: c4414ea6-320e-4c98-89ef-cc16d7932fd7.
-2024-12-09 10:30:06,805 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk.
-2024-12-09 10:30:06,805 - INFO - assuming Ti1_vdz.c4414ea6-320e-4c98-89ef-cc16d7932fd7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,805 - INFO - task UUID: c7049602-5460-4277-8148-d9c66012f8f0...
-2024-12-09 10:30:06,807 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,807 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,807 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,807 - INFO - supporting data file UUID: 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.
-2024-12-09 10:30:06,807 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz.
-2024-12-09 10:30:06,807 - INFO - assuming fcidump.Ti1_vtz.2ae865cc-f4c6-4e9f-903c-c8221e06b7a9.gz is an FCIDUMP file.
-2024-12-09 10:30:06,824 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,824 - INFO - instance_data_object_uuid 2ae865cc-f4c6-4e9f-903c-c8221e06b7a9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,824 - INFO - supporting data file UUID: 1391b3e4-1862-4808-8990-dab576dade6a.
-2024-12-09 10:30:06,824 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk.
-2024-12-09 10:30:06,824 - INFO - assuming Ti1_vtz.1391b3e4-1862-4808-8990-dab576dade6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,824 - INFO - parsing ../problem_instances/problem_instance.V_0.a14a1e28-71c5-4e23-bf6e-dd9662a6df58.json
-2024-12-09 10:30:06,825 - INFO - problem_instance UUID: a14a1e28-71c5-4e23-bf6e-dd9662a6df58
-2024-12-09 10:30:06,825 - INFO - problem_instance short name: V_0
-2024-12-09 10:30:06,825 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,825 - INFO - task UUID: 0f0c8766-4bf5-4c1e-991a-9dafe9bc8f27...
-2024-12-09 10:30:06,826 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,826 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,826 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,827 - INFO - supporting data file UUID: 950e31e2-142f-480b-b0d1-174381bdb64a.
-2024-12-09 10:30:06,827 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz.
-2024-12-09 10:30:06,827 - INFO - assuming fcidump.V0_vdz.950e31e2-142f-480b-b0d1-174381bdb64a.gz is an FCIDUMP file.
-2024-12-09 10:30:06,843 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,844 - INFO - instance_data_object_uuid 950e31e2-142f-480b-b0d1-174381bdb64a is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,844 - INFO - supporting data file UUID: 5b236de2-1bb4-442b-8519-0af6e44d857d.
-2024-12-09 10:30:06,844 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk.
-2024-12-09 10:30:06,844 - INFO - assuming V0_vdz.5b236de2-1bb4-442b-8519-0af6e44d857d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,844 - INFO - task UUID: 338f4b6e-775c-413b-a508-9132659ebbc3...
-2024-12-09 10:30:06,846 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,846 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,846 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,846 - INFO - supporting data file UUID: d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.
-2024-12-09 10:30:06,846 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz.
-2024-12-09 10:30:06,846 - INFO - assuming fcidump.V0_vtz.d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd.gz is an FCIDUMP file.
-2024-12-09 10:30:06,862 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,863 - INFO - instance_data_object_uuid d85e35e4-fe5c-4ea9-a5aa-d0273321a1dd is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,863 - INFO - supporting data file UUID: 1c843e96-bab4-4f23-8a9e-df61638fb804.
-2024-12-09 10:30:06,863 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk.
-2024-12-09 10:30:06,863 - INFO - assuming V0_vtz.1c843e96-bab4-4f23-8a9e-df61638fb804.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,863 - INFO - parsing ../problem_instances/problem_instance.CuO_0.886ad5bf-d487-48c8-b08c-c9f82b84ed5d.json
-2024-12-09 10:30:06,863 - INFO - problem_instance UUID: 886ad5bf-d487-48c8-b08c-c9f82b84ed5d
-2024-12-09 10:30:06,863 - INFO - problem_instance short name: CuO_0
-2024-12-09 10:30:06,863 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,863 - INFO - task UUID: 37e1f17b-384d-423d-860b-c75b9dcff951...
-2024-12-09 10:30:06,865 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,865 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,865 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,865 - INFO - supporting data file UUID: da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.
-2024-12-09 10:30:06,865 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz.
-2024-12-09 10:30:06,865 - INFO - assuming fcidump.CuO_vdz.da86aaff-3ca6-4d32-8da2-e1acfe6c31ab.gz is an FCIDUMP file.
-2024-12-09 10:30:06,881 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,882 - INFO - instance_data_object_uuid da86aaff-3ca6-4d32-8da2-e1acfe6c31ab is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,882 - INFO - supporting data file UUID: c4e62caf-cab0-444f-88f2-ce58f87079f2.
-2024-12-09 10:30:06,882 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk.
-2024-12-09 10:30:06,882 - INFO - assuming CuO_vdz.c4e62caf-cab0-444f-88f2-ce58f87079f2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,882 - INFO - parsing ../problem_instances/problem_instance.TiO_0.0b91f99e-8de5-415d-a78e-f80e45d621ca.json
-2024-12-09 10:30:06,882 - INFO - problem_instance UUID: 0b91f99e-8de5-415d-a78e-f80e45d621ca
-2024-12-09 10:30:06,882 - INFO - problem_instance short name: TiO_0
-2024-12-09 10:30:06,882 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,882 - INFO - task UUID: 84aa9e2d-18e6-4689-9274-28e89ef44080...
-2024-12-09 10:30:06,884 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,884 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,884 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,884 - INFO - supporting data file UUID: 98719f34-8ba8-4557-a9fd-b28a84fe7dd1.
-2024-12-09 10:30:06,884 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz.
-2024-12-09 10:30:06,884 - INFO - assuming fcidump.TiO_vdz.98719f34-8ba8-4557-a9fd-b28a84fe7dd1.gz is an FCIDUMP file.
-2024-12-09 10:30:06,901 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,901 - INFO - instance_data_object_uuid 98719f34-8ba8-4557-a9fd-b28a84fe7dd1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,901 - INFO - supporting data file UUID: bee1776c-8031-4f23-a403-4475699e873f.
-2024-12-09 10:30:06,901 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk.
-2024-12-09 10:30:06,901 - INFO - assuming TiO_vdz.bee1776c-8031-4f23-a403-4475699e873f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,901 - INFO - parsing ../problem_instances/problem_instance.na2_0.edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76.json
-2024-12-09 10:30:06,902 - INFO - problem_instance UUID: edb1dfc4-c9d0-41ce-902a-2cfcf97c0c76
-2024-12-09 10:30:06,902 - INFO - problem_instance short name: na2_0
-2024-12-09 10:30:06,902 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,902 - INFO - task UUID: 4fb7e994-8e7a-4acd-86d4-bb52db824cfc...
-2024-12-09 10:30:06,903 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,903 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,903 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,903 - INFO - supporting data file UUID: 4ceb8edc-937e-4cb6-9e42-51b6760b2557.
-2024-12-09 10:30:06,903 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz.
-2024-12-09 10:30:06,903 - INFO - assuming fcidump.na2_cc-pVDZ.4ceb8edc-937e-4cb6-9e42-51b6760b2557.gz is an FCIDUMP file.
-2024-12-09 10:30:06,920 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,921 - INFO - instance_data_object_uuid 4ceb8edc-937e-4cb6-9e42-51b6760b2557 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,921 - INFO - supporting data file UUID: 2014a3d7-1779-4d85-810f-ab908557987f.
-2024-12-09 10:30:06,921 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk.
-2024-12-09 10:30:06,921 - INFO - assuming na2_cc-pVDZ.2014a3d7-1779-4d85-810f-ab908557987f.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,921 - INFO - task UUID: f96de7fe-5c88-4083-8c48-72bc094cccfd...
-2024-12-09 10:30:06,922 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,923 - INFO - number of orbitals:  118
-2024-12-09 10:30:06,923 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:06,923 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:06,923 - INFO - moving on ...
-2024-12-09 10:30:06,923 - INFO - task UUID: 620e9ff4-07bf-4767-9237-d39aa659b8e5...
-2024-12-09 10:30:06,924 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,924 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,924 - INFO - number of supporting files: 2
-2024-12-09 10:30:06,924 - INFO - supporting data file UUID: c288da42-cf53-4437-a310-24bf3e35e008.
-2024-12-09 10:30:06,924 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz.
-2024-12-09 10:30:06,924 - INFO - assuming fcidump.na2_cc-pVTZ.c288da42-cf53-4437-a310-24bf3e35e008.gz is an FCIDUMP file.
-2024-12-09 10:30:06,941 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,941 - INFO - instance_data_object_uuid c288da42-cf53-4437-a310-24bf3e35e008 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,942 - INFO - supporting data file UUID: 74e99e36-315d-4e29-a4c9-2ae0b1c932d6.
-2024-12-09 10:30:06,942 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk.
-2024-12-09 10:30:06,942 - INFO - assuming na2_cc-pVTZ.74e99e36-315d-4e29-a4c9-2ae0b1c932d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:06,942 - INFO - parsing ../problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json
-2024-12-09 10:30:06,942 - INFO - problem_instance UUID: cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8
-2024-12-09 10:30:06,942 - INFO - problem_instance short name: mn_mono
-2024-12-09 10:30:06,942 - INFO - contains 8 associated tasks (Hamiltonians).
-2024-12-09 10:30:06,942 - INFO - task UUID: de3ea361-c2d3-4ab6-add4-ccd43cea6aa8...
-2024-12-09 10:30:06,942 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,943 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,943 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,944 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,945 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,945 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,945 - INFO - supporting data file UUID: 68af0b80-3d27-4aba-84f9-bcdd30a9255b.
-2024-12-09 10:30:06,945 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz.
-2024-12-09 10:30:06,945 - INFO - assuming fcidump.59_5_16_noncan_0.2_new.68af0b80-3d27-4aba-84f9-bcdd30a9255b.gz is an FCIDUMP file.
-2024-12-09 10:30:06,962 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,962 - INFO - instance_data_object_uuid 68af0b80-3d27-4aba-84f9-bcdd30a9255b is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,963 - INFO - task UUID: 6c39d3a7-c71a-4049-a8c7-3a3a4b61d8da...
-2024-12-09 10:30:06,963 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,963 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,963 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,964 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,965 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,965 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,965 - INFO - supporting data file UUID: 28a7820f-63fe-4920-aeec-a7ffe7e55d83.
-2024-12-09 10:30:06,965 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz.
-2024-12-09 10:30:06,965 - INFO - assuming fcidump.60_5_16_noncan_0.2_new.28a7820f-63fe-4920-aeec-a7ffe7e55d83.gz is an FCIDUMP file.
-2024-12-09 10:30:06,982 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:06,982 - INFO - instance_data_object_uuid 28a7820f-63fe-4920-aeec-a7ffe7e55d83 is already in the feature database.  Skipping it!
-2024-12-09 10:30:06,982 - INFO - task UUID: 1ade03f3-06b1-4e95-b271-fea5a6343829...
-2024-12-09 10:30:06,982 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:06,982 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:06,982 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:06,984 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:06,985 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:06,985 - INFO - number of supporting files: 1
-2024-12-09 10:30:06,985 - INFO - supporting data file UUID: f738fcd6-7ddc-4d70-8ff9-4019e3718b04.
-2024-12-09 10:30:06,985 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz.
-2024-12-09 10:30:06,985 - INFO - assuming fcidump.61_3_15_af_noncan_0.2_new.f738fcd6-7ddc-4d70-8ff9-4019e3718b04.gz is an FCIDUMP file.
-2024-12-09 10:30:07,002 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,002 - INFO - instance_data_object_uuid f738fcd6-7ddc-4d70-8ff9-4019e3718b04 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,003 - INFO - task UUID: ff0da1e2-2c76-4589-aefa-c13bb1a1ef8f...
-2024-12-09 10:30:07,003 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,003 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,003 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,004 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,005 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,005 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,005 - INFO - supporting data file UUID: 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.
-2024-12-09 10:30:07,005 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz.
-2024-12-09 10:30:07,005 - INFO - assuming fcidump.62_3_15_af_noncan_0.2_new.6e2bf415-6a69-4b36-ba0f-780a11cb7c0b.gz is an FCIDUMP file.
-2024-12-09 10:30:07,022 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,022 - INFO - instance_data_object_uuid 6e2bf415-6a69-4b36-ba0f-780a11cb7c0b is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,023 - INFO - task UUID: a9c90f98-6557-44d2-9ca0-0c9122f4080c...
-2024-12-09 10:30:07,023 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,023 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,023 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,024 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,025 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,025 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,025 - INFO - supporting data file UUID: 027490ba-34f9-4340-89ab-27fd110d2821.
-2024-12-09 10:30:07,025 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz.
-2024-12-09 10:30:07,025 - INFO - assuming fcidump.63_5_15_af_ts_noncan_0.2_new.027490ba-34f9-4340-89ab-27fd110d2821.gz is an FCIDUMP file.
-2024-12-09 10:30:07,043 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,043 - INFO - instance_data_object_uuid 027490ba-34f9-4340-89ab-27fd110d2821 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,043 - INFO - task UUID: a16168e2-98cd-430d-a180-84f64b4d5e75...
-2024-12-09 10:30:07,043 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,043 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,043 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,045 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,045 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,045 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,046 - INFO - supporting data file UUID: bae2da57-6a69-483e-95bc-b77f72ebfba8.
-2024-12-09 10:30:07,046 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz.
-2024-12-09 10:30:07,046 - INFO - assuming fcidump.64_5_15_af_ts_noncan_0.2_new.bae2da57-6a69-483e-95bc-b77f72ebfba8.gz is an FCIDUMP file.
-2024-12-09 10:30:07,062 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,063 - INFO - instance_data_object_uuid bae2da57-6a69-483e-95bc-b77f72ebfba8 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,063 - INFO - task UUID: 590c2f0b-964b-4d09-96ad-101a9be59cab...
-2024-12-09 10:30:07,063 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,063 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,063 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,064 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,065 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,065 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,065 - INFO - supporting data file UUID: 72343006-774e-4192-b481-fa840ed25573.
-2024-12-09 10:30:07,065 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz.
-2024-12-09 10:30:07,065 - INFO - assuming fcidump.65_5_15_af_noncan_0.2_new.72343006-774e-4192-b481-fa840ed25573.gz is an FCIDUMP file.
-2024-12-09 10:30:07,082 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,082 - INFO - instance_data_object_uuid 72343006-774e-4192-b481-fa840ed25573 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,083 - INFO - task UUID: 6e617348-d0b3-4b6d-9923-ea54ba5cf751...
-2024-12-09 10:30:07,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 10:30:07,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 10:30:07,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 10:30:07,084 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,085 - INFO - number of supporting files: 1
-2024-12-09 10:30:07,085 - INFO - supporting data file UUID: ea55abec-8253-445d-85fa-914948b5e5a5.
-2024-12-09 10:30:07,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz.
-2024-12-09 10:30:07,085 - INFO - assuming fcidump.66_5_15_af_noncan_0.2_new.ea55abec-8253-445d-85fa-914948b5e5a5.gz is an FCIDUMP file.
-2024-12-09 10:30:07,101 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,102 - INFO - instance_data_object_uuid ea55abec-8253-445d-85fa-914948b5e5a5 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,102 - INFO - parsing ../problem_instances/problem_instance.FeO_0.55d0ed82-0560-4448-8459-c2ba00654d9d.json
-2024-12-09 10:30:07,102 - INFO - problem_instance UUID: 55d0ed82-0560-4448-8459-c2ba00654d9d
-2024-12-09 10:30:07,102 - INFO - problem_instance short name: FeO_0
-2024-12-09 10:30:07,102 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,102 - INFO - task UUID: b8344eb5-f574-4198-b917-8312240ba288...
-2024-12-09 10:30:07,103 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,104 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,104 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,104 - INFO - supporting data file UUID: 3f1777dc-c493-4aa7-b3d1-6271d9bed459.
-2024-12-09 10:30:07,104 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz.
-2024-12-09 10:30:07,104 - INFO - assuming fcidump.FeO_vdz.3f1777dc-c493-4aa7-b3d1-6271d9bed459.gz is an FCIDUMP file.
-2024-12-09 10:30:07,121 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,121 - INFO - instance_data_object_uuid 3f1777dc-c493-4aa7-b3d1-6271d9bed459 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,121 - INFO - supporting data file UUID: 8bb3298d-0a60-4249-bfc5-94f399fbd522.
-2024-12-09 10:30:07,121 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk.
-2024-12-09 10:30:07,121 - INFO - assuming FeO_vdz.8bb3298d-0a60-4249-bfc5-94f399fbd522.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,121 - INFO - parsing ../problem_instances/problem_instance.p_h3_0.0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57.json
-2024-12-09 10:30:07,122 - INFO - problem_instance UUID: 0c2e43eb-58f3-41ca-a21f-ae46fc2a0e57
-2024-12-09 10:30:07,122 - INFO - problem_instance short name: p_h3_0
-2024-12-09 10:30:07,122 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,122 - INFO - task UUID: af399f2b-a4f8-4fec-aca2-7c126ed989a5...
-2024-12-09 10:30:07,123 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,123 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,123 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,123 - INFO - supporting data file UUID: 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.
-2024-12-09 10:30:07,123 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz.
-2024-12-09 10:30:07,123 - INFO - assuming fcidump.p_h3_cc-pVDZ.7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1.gz is an FCIDUMP file.
-2024-12-09 10:30:07,140 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,140 - INFO - instance_data_object_uuid 7ffaab25-7912-4ca9-b0e5-9fe8fd00a0e1 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,140 - INFO - supporting data file UUID: e7dafb07-2975-4414-9924-2f8037778aee.
-2024-12-09 10:30:07,140 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk.
-2024-12-09 10:30:07,140 - INFO - assuming p_h3_cc-pVDZ.e7dafb07-2975-4414-9924-2f8037778aee.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,141 - INFO - task UUID: 819ff18a-5aad-46df-83ef-bd209e44936b...
-2024-12-09 10:30:07,142 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,142 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,142 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,142 - INFO - supporting data file UUID: 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.
-2024-12-09 10:30:07,142 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz.
-2024-12-09 10:30:07,142 - INFO - assuming fcidump.p_h3_cc-pVTZ.2b73f8d0-08fe-4cca-9e8a-cda5d21f4761.gz is an FCIDUMP file.
-2024-12-09 10:30:07,159 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,159 - INFO - instance_data_object_uuid 2b73f8d0-08fe-4cca-9e8a-cda5d21f4761 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,159 - INFO - supporting data file UUID: b8c794eb-a077-4227-9777-80462e7beefd.
-2024-12-09 10:30:07,159 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk.
-2024-12-09 10:30:07,159 - INFO - assuming p_h3_cc-pVTZ.b8c794eb-a077-4227-9777-80462e7beefd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,159 - INFO - parsing ../problem_instances/problem_instance.h2_s_0.208f2e50-2b56-4e72-815a-cba5cec1264c.json
-2024-12-09 10:30:07,159 - INFO - problem_instance UUID: 208f2e50-2b56-4e72-815a-cba5cec1264c
-2024-12-09 10:30:07,160 - INFO - problem_instance short name: h2_s_0
-2024-12-09 10:30:07,160 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,160 - INFO - task UUID: f2f09d9f-8328-4d4a-ba91-089f9e56bf0d...
-2024-12-09 10:30:07,161 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,161 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,161 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,161 - INFO - supporting data file UUID: 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.
-2024-12-09 10:30:07,161 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz.
-2024-12-09 10:30:07,161 - INFO - assuming fcidump.h2_s_cc-pVDZ.11a0ff0b-3c6f-416f-be8a-a02acd56aeb9.gz is an FCIDUMP file.
-2024-12-09 10:30:07,177 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,177 - INFO - instance_data_object_uuid 11a0ff0b-3c6f-416f-be8a-a02acd56aeb9 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,178 - INFO - supporting data file UUID: b28fc567-776a-49e9-b537-f885125f2e41.
-2024-12-09 10:30:07,178 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk.
-2024-12-09 10:30:07,178 - INFO - assuming h2_s_cc-pVDZ.b28fc567-776a-49e9-b537-f885125f2e41.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,178 - INFO - task UUID: 3d5186f9-82b3-4de0-9bc1-242d7bdb678a...
-2024-12-09 10:30:07,179 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,179 - INFO - number of orbitals:  119
-2024-12-09 10:30:07,179 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:07,179 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:07,179 - INFO - moving on ...
-2024-12-09 10:30:07,179 - INFO - task UUID: ec0baf59-05f5-49df-b5e5-8f887d822a10...
-2024-12-09 10:30:07,180 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,181 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,181 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,181 - INFO - supporting data file UUID: 83f0f242-e184-4581-a77a-f019731d8a6f.
-2024-12-09 10:30:07,181 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz.
-2024-12-09 10:30:07,181 - INFO - assuming fcidump.h2_s_cc-pVTZ.83f0f242-e184-4581-a77a-f019731d8a6f.gz is an FCIDUMP file.
-2024-12-09 10:30:07,198 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,198 - INFO - instance_data_object_uuid 83f0f242-e184-4581-a77a-f019731d8a6f is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,198 - INFO - supporting data file UUID: 2081f24a-d7ea-452a-b9bc-9901d06282d6.
-2024-12-09 10:30:07,198 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk.
-2024-12-09 10:30:07,198 - INFO - assuming h2_s_cc-pVTZ.2081f24a-d7ea-452a-b9bc-9901d06282d6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,199 - INFO - parsing ../problem_instances/problem_instance.Sc_0.67f72316-2262-44fb-8c0a-e159e1cd0cf0.json
-2024-12-09 10:30:07,199 - INFO - problem_instance UUID: 67f72316-2262-44fb-8c0a-e159e1cd0cf0
-2024-12-09 10:30:07,199 - INFO - problem_instance short name: Sc_0
-2024-12-09 10:30:07,199 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,199 - INFO - task UUID: fb87d637-aaab-4e8f-8898-4ecca8bd0fe0...
-2024-12-09 10:30:07,200 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,200 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,200 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,200 - INFO - supporting data file UUID: 9da0b1fb-c6a5-4da5-b390-3920e3c26154.
-2024-12-09 10:30:07,201 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz.
-2024-12-09 10:30:07,201 - INFO - assuming fcidump.Sc0_vdz.9da0b1fb-c6a5-4da5-b390-3920e3c26154.gz is an FCIDUMP file.
-2024-12-09 10:30:07,217 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,217 - INFO - instance_data_object_uuid 9da0b1fb-c6a5-4da5-b390-3920e3c26154 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,217 - INFO - supporting data file UUID: 11066a5f-4cab-41ed-9bcf-bc34a77d52c6.
-2024-12-09 10:30:07,217 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk.
-2024-12-09 10:30:07,217 - INFO - assuming Sc0_vdz.11066a5f-4cab-41ed-9bcf-bc34a77d52c6.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,218 - INFO - task UUID: 96c6a0d7-8a1e-4189-a934-833b80ade346...
-2024-12-09 10:30:07,219 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,219 - INFO - number of orbitals:  135
-2024-12-09 10:30:07,219 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:07,219 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:07,219 - INFO - moving on ...
-2024-12-09 10:30:07,219 - INFO - task UUID: dc1da839-0ccc-434c-bf9c-a3874ffc3b1c...
-2024-12-09 10:30:07,220 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,220 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,221 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,221 - INFO - supporting data file UUID: 83008296-5ec9-4af7-a03b-372025fad080.
-2024-12-09 10:30:07,221 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz.
-2024-12-09 10:30:07,221 - INFO - assuming fcidump.Sc0_vtz.83008296-5ec9-4af7-a03b-372025fad080.gz is an FCIDUMP file.
-2024-12-09 10:30:07,237 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,237 - INFO - instance_data_object_uuid 83008296-5ec9-4af7-a03b-372025fad080 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,237 - INFO - supporting data file UUID: 0a3909ae-25ab-4fd7-8625-12a477404329.
-2024-12-09 10:30:07,237 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk.
-2024-12-09 10:30:07,237 - INFO - assuming Sc0_vtz.0a3909ae-25ab-4fd7-8625-12a477404329.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,237 - INFO - parsing ../problem_instances/problem_instance.na_cl_0.3f141f05-532b-478d-b38a-2ae07baadc88.json
-2024-12-09 10:30:07,238 - INFO - problem_instance UUID: 3f141f05-532b-478d-b38a-2ae07baadc88
-2024-12-09 10:30:07,238 - INFO - problem_instance short name: na_cl_0
-2024-12-09 10:30:07,238 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,238 - INFO - task UUID: da831b60-89ce-4c01-96f9-c9f8a4512aab...
-2024-12-09 10:30:07,239 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,239 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,239 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,239 - INFO - supporting data file UUID: cd31956d-bef5-4112-9959-510170644e72.
-2024-12-09 10:30:07,239 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz.
-2024-12-09 10:30:07,240 - INFO - assuming fcidump.na_cl_cc-pVDZ.cd31956d-bef5-4112-9959-510170644e72.gz is an FCIDUMP file.
-2024-12-09 10:30:07,256 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,256 - INFO - instance_data_object_uuid cd31956d-bef5-4112-9959-510170644e72 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,257 - INFO - supporting data file UUID: 54f78447-2f62-48c7-a584-037808c4e08c.
-2024-12-09 10:30:07,257 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk.
-2024-12-09 10:30:07,257 - INFO - assuming na_cl_cc-pVDZ.54f78447-2f62-48c7-a584-037808c4e08c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,257 - INFO - task UUID: a2f9649f-0f47-4a5d-a6a7-b0bebc848797...
-2024-12-09 10:30:07,258 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,258 - INFO - number of orbitals:  118
-2024-12-09 10:30:07,259 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 10:30:07,259 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 10:30:07,259 - INFO - moving on ...
-2024-12-09 10:30:07,259 - INFO - task UUID: 01ec60f7-d38a-4c33-a498-659a388e10ee...
-2024-12-09 10:30:07,260 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,260 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,260 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,260 - INFO - supporting data file UUID: 444f3f27-904b-463f-b2f2-c92686c9637d.
-2024-12-09 10:30:07,260 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz.
-2024-12-09 10:30:07,261 - INFO - assuming fcidump.na_cl_cc-pVTZ.444f3f27-904b-463f-b2f2-c92686c9637d.gz is an FCIDUMP file.
-2024-12-09 10:30:07,277 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,278 - INFO - instance_data_object_uuid 444f3f27-904b-463f-b2f2-c92686c9637d is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,278 - INFO - supporting data file UUID: 0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.
-2024-12-09 10:30:07,278 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk.
-2024-12-09 10:30:07,278 - INFO - assuming na_cl_cc-pVTZ.0a9b8f1f-bdb0-4fd4-b9c5-724d4783d7af.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,278 - INFO - parsing ../problem_instances/problem_instance.c2_h2_0.0ca102a7-dad4-4d42-8c73-9acfa45378d7.json
-2024-12-09 10:30:07,278 - INFO - problem_instance UUID: 0ca102a7-dad4-4d42-8c73-9acfa45378d7
-2024-12-09 10:30:07,278 - INFO - problem_instance short name: c2_h2_0
-2024-12-09 10:30:07,278 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,279 - INFO - task UUID: 2761e36e-f001-42af-8086-f507b5643ec8...
-2024-12-09 10:30:07,280 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,280 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,280 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,280 - INFO - supporting data file UUID: 5b507b3d-b6fc-4e13-9586-06113819d99f.
-2024-12-09 10:30:07,280 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz.
-2024-12-09 10:30:07,280 - INFO - assuming fcidump.c2_h2_cc-pVDZ.5b507b3d-b6fc-4e13-9586-06113819d99f.gz is an FCIDUMP file.
-2024-12-09 10:30:07,297 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,297 - INFO - instance_data_object_uuid 5b507b3d-b6fc-4e13-9586-06113819d99f is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,298 - INFO - supporting data file UUID: 7d37092e-ec2a-4cc0-b18a-211e358f2a3d.
-2024-12-09 10:30:07,298 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk.
-2024-12-09 10:30:07,298 - INFO - assuming c2_h2_cc-pVDZ.7d37092e-ec2a-4cc0-b18a-211e358f2a3d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,298 - INFO - task UUID: b1352b0c-aa96-4f58-a0e2-356d3c43c8a1...
-2024-12-09 10:30:07,299 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,299 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,299 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,299 - INFO - supporting data file UUID: 57793481-c847-4746-8241-ea949add5f87.
-2024-12-09 10:30:07,299 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz.
-2024-12-09 10:30:07,299 - INFO - assuming fcidump.c2_h2_cc-pVTZ.57793481-c847-4746-8241-ea949add5f87.gz is an FCIDUMP file.
-2024-12-09 10:30:07,316 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,316 - INFO - instance_data_object_uuid 57793481-c847-4746-8241-ea949add5f87 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,316 - INFO - supporting data file UUID: f6d434e3-5c53-44f3-80ac-da5e7851f45a.
-2024-12-09 10:30:07,316 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk.
-2024-12-09 10:30:07,316 - INFO - assuming c2_h2_cc-pVTZ.f6d434e3-5c53-44f3-80ac-da5e7851f45a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,316 - INFO - parsing ../problem_instances/problem_instance.li_f_0.e48e7467-1fcd-478b-a599-f4ce881c57b9.json
-2024-12-09 10:30:07,316 - INFO - problem_instance UUID: e48e7467-1fcd-478b-a599-f4ce881c57b9
-2024-12-09 10:30:07,316 - INFO - problem_instance short name: li_f_0
-2024-12-09 10:30:07,317 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 10:30:07,317 - INFO - task UUID: 80043b93-039c-4d5a-abcb-84b8f25f7abb...
-2024-12-09 10:30:07,318 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,318 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,318 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,318 - INFO - supporting data file UUID: 19cf5a4d-e90f-4ab1-a062-b20089724a63.
-2024-12-09 10:30:07,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz.
-2024-12-09 10:30:07,318 - INFO - assuming fcidump.li_f_cc-pVDZ.19cf5a4d-e90f-4ab1-a062-b20089724a63.gz is an FCIDUMP file.
-2024-12-09 10:30:07,336 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,336 - INFO - instance_data_object_uuid 19cf5a4d-e90f-4ab1-a062-b20089724a63 is already in the feature database.  Skipping it!
-2024-12-09 10:30:07,336 - INFO - supporting data file UUID: e04452b6-2617-4dd7-a493-1d3e5e02639a.
-2024-12-09 10:30:07,336 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk.
-2024-12-09 10:30:07,336 - INFO - assuming li_f_cc-pVDZ.e04452b6-2617-4dd7-a493-1d3e5e02639a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 10:30:07,336 - INFO - task UUID: 0485949f-722c-49ee-a748-eec54801f021...
-2024-12-09 10:30:07,338 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 10:30:07,338 - INFO - attempting to process the Hamiltonian...
-2024-12-09 10:30:07,338 - INFO - number of supporting files: 2
-2024-12-09 10:30:07,338 - INFO - supporting data file UUID: 2294b211-7a05-445e-810d-4c1706e1444c.
-2024-12-09 10:30:07,338 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz.
-2024-12-09 10:30:07,338 - INFO - assuming fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz is an FCIDUMP file.
-2024-12-09 10:30:07,355 - INFO - number of entries in Hamiltonian_features.csv:  211
-2024-12-09 10:30:07,355 - INFO - did NOT find instance_data_object_uuid 2294b211-7a05-445e-810d-4c1706e1444c in database.
-2024-12-09 10:30:07,355 - INFO - Processing instance_data_object_uuid 2294b211-7a05-445e-810d-4c1706e1444c ...
-2024-12-09 10:30:07,355 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz...
-2024-12-09 10:30:07,404 - INFO - Connected (version 2.0, client 0)
-2024-12-09 10:30:07,928 - INFO - Authentication (publickey) successful!
-2024-12-09 10:30:07,946 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-09 10:31:45,782 - INFO - [chan 0] sftp session closed.
-2024-12-09 10:31:45,782 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-09 10:31:45,782 - INFO - decompressing file fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.gz...
-2024-12-09 10:31:50,116 - INFO - this script has been running for 0.04 hours.
-2024-12-09 10:31:50,116 - INFO - ===============================================
-2024-12-09 10:31:50,116 - INFO - calculating Hamiltonian features...
-2024-12-09 10:31:50,116 - INFO - reading data from fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c
-2024-12-09 10:32:25,961 - INFO - finished reading FCIDUMP data.
-2024-12-09 10:32:25,961 - INFO - data['NORB']: 110
-2024-12-09 10:32:25,962 - INFO - len(data['H1']): 110
-2024-12-09 10:32:25,962 - INFO - ao2mo.restore...
-2024-12-09 10:32:26,534 - INFO - done.
-2024-12-09 10:32:26,535 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-09 10:32:26,535 - INFO - done.
-2024-12-09 10:32:26,535 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-09 14:54:46,153 - INFO - done.
-2024-12-09 14:54:46,153 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-09 15:23:43,006 - INFO - done.
-2024-12-09 15:23:43,006 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-09 15:27:26,897 - INFO - done.
-2024-12-09 15:27:26,897 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-09 15:28:27,923 - INFO - done.
-2024-12-09 15:28:27,924 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-09 15:28:27,927 - INFO - done.
-2024-12-09 15:28:27,927 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-09 15:28:27,928 - INFO - done.
-2024-12-09 15:28:45,172 - INFO - Hamiltonian features calculation run time (seconds): 17815.055222
-2024-12-09 15:28:45,172 - INFO - wrote df_eigs to file: df_eigs.2294b211-7a05-445e-810d-4c1706e1444c.bin
-2024-12-09 15:28:45,172 - INFO - deleting file fcidump.li_f_cc-pVQZ.2294b211-7a05-445e-810d-4c1706e1444c.
-2024-12-09 15:28:45,255 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-09 15:28:45,270 - INFO - this script has been running for 4.99 hours.
-2024-12-09 15:28:45,271 - INFO - supporting data file UUID: e2d31834-f73d-46a0-ba41-fa67b298611c.
-2024-12-09 15:28:45,271 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVQZ.e2d31834-f73d-46a0-ba41-fa67b298611c.chk.
-2024-12-09 15:28:45,271 - INFO - assuming li_f_cc-pVQZ.e2d31834-f73d-46a0-ba41-fa67b298611c.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,271 - INFO - task UUID: b80345ff-5df9-4fb3-86ab-0a25188b296d...
-2024-12-09 15:28:45,272 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,272 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,272 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,272 - INFO - supporting data file UUID: c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.
-2024-12-09 15:28:45,272 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz.
-2024-12-09 15:28:45,272 - INFO - assuming fcidump.li_f_cc-pVTZ.c0df5db1-1bc0-40f5-9cff-6aa2867aba7c.gz is an FCIDUMP file.
-2024-12-09 15:28:45,287 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,287 - INFO - instance_data_object_uuid c0df5db1-1bc0-40f5-9cff-6aa2867aba7c is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,287 - INFO - supporting data file UUID: b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.
-2024-12-09 15:28:45,287 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk.
-2024-12-09 15:28:45,287 - INFO - assuming li_f_cc-pVTZ.b2aa1a42-9ae2-4fb8-b947-725b7cfe1124.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,287 - INFO - parsing ../problem_instances/problem_instance.h2_c_o_0.25fd617b-8e7f-4422-9e97-cc3f6b0d3876.json
-2024-12-09 15:28:45,287 - INFO - problem_instance UUID: 25fd617b-8e7f-4422-9e97-cc3f6b0d3876
-2024-12-09 15:28:45,287 - INFO - problem_instance short name: h2_c_o_0
-2024-12-09 15:28:45,287 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,287 - INFO - task UUID: d58cb72b-e144-4164-aec0-309aaef6394c...
-2024-12-09 15:28:45,289 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,289 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,289 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,289 - INFO - supporting data file UUID: d3d8851e-f3df-490c-975a-467933bd9fa1.
-2024-12-09 15:28:45,289 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz.
-2024-12-09 15:28:45,289 - INFO - assuming fcidump.h2_c_o_cc-pVDZ.d3d8851e-f3df-490c-975a-467933bd9fa1.gz is an FCIDUMP file.
-2024-12-09 15:28:45,302 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,303 - INFO - instance_data_object_uuid d3d8851e-f3df-490c-975a-467933bd9fa1 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,303 - INFO - supporting data file UUID: 25a78420-0b29-4de5-acdc-104aa0f0b9fb.
-2024-12-09 15:28:45,303 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk.
-2024-12-09 15:28:45,303 - INFO - assuming h2_c_o_cc-pVDZ.25a78420-0b29-4de5-acdc-104aa0f0b9fb.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,303 - INFO - task UUID: ed09e1bf-40f3-4bf0-b9c7-7bb1990c5cae...
-2024-12-09 15:28:45,304 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,304 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,304 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,304 - INFO - supporting data file UUID: f1c78add-0e23-423a-bb96-f1370626aa47.
-2024-12-09 15:28:45,304 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz.
-2024-12-09 15:28:45,304 - INFO - assuming fcidump.h2_c_o_cc-pVTZ.f1c78add-0e23-423a-bb96-f1370626aa47.gz is an FCIDUMP file.
-2024-12-09 15:28:45,318 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,318 - INFO - instance_data_object_uuid f1c78add-0e23-423a-bb96-f1370626aa47 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,318 - INFO - supporting data file UUID: 30bd24e2-947b-4917-89bb-8bdb17406ff5.
-2024-12-09 15:28:45,318 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk.
-2024-12-09 15:28:45,318 - INFO - assuming h2_c_o_cc-pVTZ.30bd24e2-947b-4917-89bb-8bdb17406ff5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,318 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0011.766ba2da-e72a-4e03-a739-f97269026fc4.json
-2024-12-09 15:28:45,319 - INFO - problem_instance UUID: 766ba2da-e72a-4e03-a739-f97269026fc4
-2024-12-09 15:28:45,319 - INFO - problem_instance short name: planted_solution_0011
-2024-12-09 15:28:45,319 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,319 - INFO - task UUID: 0021e256-8e13-42db-839d-e9155e8af82c...
-2024-12-09 15:28:45,320 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,320 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,320 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,320 - INFO - supporting data file UUID: befcf6f0-cfcb-49b7-b661-de48ad8a44c8.
-2024-12-09 15:28:45,320 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz.
-2024-12-09 15:28:45,320 - INFO - assuming fcidump.planted_solution_0011.befcf6f0-cfcb-49b7-b661-de48ad8a44c8.gz is an FCIDUMP file.
-2024-12-09 15:28:45,334 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,335 - INFO - instance_data_object_uuid befcf6f0-cfcb-49b7-b661-de48ad8a44c8 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,335 - INFO - parsing ../problem_instances/problem_instance.Mn_0.bc202949-d76c-4962-b937-5c12b298b8b4.json
-2024-12-09 15:28:45,335 - INFO - problem_instance UUID: bc202949-d76c-4962-b937-5c12b298b8b4
-2024-12-09 15:28:45,335 - INFO - problem_instance short name: Mn_0
-2024-12-09 15:28:45,335 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,335 - INFO - task UUID: 289f5dfe-e6d5-48a3-a6ae-25088321d3c6...
-2024-12-09 15:28:45,336 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,337 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,337 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,337 - INFO - supporting data file UUID: a83413fb-96e3-466e-910b-6d4bab7cdf1d.
-2024-12-09 15:28:45,337 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz.
-2024-12-09 15:28:45,337 - INFO - assuming fcidump.Mn0_vdz.a83413fb-96e3-466e-910b-6d4bab7cdf1d.gz is an FCIDUMP file.
-2024-12-09 15:28:45,351 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,351 - INFO - instance_data_object_uuid a83413fb-96e3-466e-910b-6d4bab7cdf1d is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,351 - INFO - supporting data file UUID: da9344cd-a191-40aa-a0bd-726e7200facf.
-2024-12-09 15:28:45,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk.
-2024-12-09 15:28:45,351 - INFO - assuming Mn0_vdz.da9344cd-a191-40aa-a0bd-726e7200facf.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,351 - INFO - task UUID: 24f12fad-130e-44fc-8b07-bc26c5a3d878...
-2024-12-09 15:28:45,353 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,353 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,353 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,353 - INFO - supporting data file UUID: 07c9da30-e172-4183-a8af-301628b75f1c.
-2024-12-09 15:28:45,353 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz.
-2024-12-09 15:28:45,353 - INFO - assuming fcidump.Mn0_vtz.07c9da30-e172-4183-a8af-301628b75f1c.gz is an FCIDUMP file.
-2024-12-09 15:28:45,367 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,367 - INFO - instance_data_object_uuid 07c9da30-e172-4183-a8af-301628b75f1c is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,367 - INFO - supporting data file UUID: 2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.
-2024-12-09 15:28:45,367 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk.
-2024-12-09 15:28:45,367 - INFO - assuming Mn0_vtz.2efdaa8a-b0d9-4b60-b92c-7fb4d0864132.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,367 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0008.b57eb979-5c09-4974-97b4-5862e109a1ae.json
-2024-12-09 15:28:45,368 - INFO - problem_instance UUID: b57eb979-5c09-4974-97b4-5862e109a1ae
-2024-12-09 15:28:45,368 - INFO - problem_instance short name: planted_solution_0008
-2024-12-09 15:28:45,368 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,368 - INFO - task UUID: af56de36-35aa-44b9-8eb7-b9c1e8f7d0f3...
-2024-12-09 15:28:45,369 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,369 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,369 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,369 - INFO - supporting data file UUID: 44060124-8f2d-4a91-80a9-5a29f0f4f716.
-2024-12-09 15:28:45,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz.
-2024-12-09 15:28:45,369 - INFO - assuming fcidump.planted_solution_0008.44060124-8f2d-4a91-80a9-5a29f0f4f716.gz is an FCIDUMP file.
-2024-12-09 15:28:45,383 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,383 - INFO - instance_data_object_uuid 44060124-8f2d-4a91-80a9-5a29f0f4f716 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,383 - INFO - parsing ../problem_instances/problem_instance.mo_n2.664ec8e4-09d5-41cc-6266-ddb26219366f.json
-2024-12-09 15:28:45,383 - INFO - problem_instance UUID: 664ec8e4-09d5-41cc-6266-ddb26219366f
-2024-12-09 15:28:45,384 - INFO - problem_instance short name: mo_n2
-2024-12-09 15:28:45,384 - INFO - contains 4 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,384 - INFO - task UUID: 00ba4917-d66a-4335-819f-43390dfc9929...
-2024-12-09 15:28:45,384 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,384 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,384 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,385 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,386 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,386 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,386 - INFO - supporting data file UUID: 23aa47ca-9afe-4086-bd97-75de310e033e.
-2024-12-09 15:28:45,386 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz.
-2024-12-09 15:28:45,386 - INFO - assuming fcidump.9_mo_n2-_noncan_0.2_new.23aa47ca-9afe-4086-bd97-75de310e033e.gz is an FCIDUMP file.
-2024-12-09 15:28:45,400 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,400 - INFO - instance_data_object_uuid 23aa47ca-9afe-4086-bd97-75de310e033e is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,400 - INFO - task UUID: b9cc699a-80f8-4280-9731-23dee4d5a6a5...
-2024-12-09 15:28:45,400 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,401 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,401 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,402 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,402 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,403 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,403 - INFO - supporting data file UUID: e10bd99a-435c-41cd-84f1-41bd67890fc7.
-2024-12-09 15:28:45,403 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz.
-2024-12-09 15:28:45,403 - INFO - assuming fcidump.10_fecp2+_s0.5_noncan_0.2_new.e10bd99a-435c-41cd-84f1-41bd67890fc7.gz is an FCIDUMP file.
-2024-12-09 15:28:45,417 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,417 - INFO - instance_data_object_uuid e10bd99a-435c-41cd-84f1-41bd67890fc7 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,417 - INFO - task UUID: dfd78a05-437d-4667-88d7-7e2a3384b816...
-2024-12-09 15:28:45,417 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,417 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,417 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,419 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,419 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,419 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,419 - INFO - supporting data file UUID: b71baf3c-d5f0-4f8d-aead-648ba69a058e.
-2024-12-09 15:28:45,419 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz.
-2024-12-09 15:28:45,419 - INFO - assuming fcidump.11_fecp2_s0_noncan_0.2_new.b71baf3c-d5f0-4f8d-aead-648ba69a058e.gz is an FCIDUMP file.
-2024-12-09 15:28:45,434 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,434 - INFO - instance_data_object_uuid b71baf3c-d5f0-4f8d-aead-648ba69a058e is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,434 - INFO - task UUID: 35c1aee4-4ef3-4e18-bc2a-377cf45e8fa1...
-2024-12-09 15:28:45,434 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,434 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,434 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,435 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,436 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,436 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,436 - INFO - supporting data file UUID: 77c12db8-c32e-4f88-8552-9762a0fff763.
-2024-12-09 15:28:45,436 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz.
-2024-12-09 15:28:45,436 - INFO - assuming fcidump.12_mo_n2_noncan_0.2_new.77c12db8-c32e-4f88-8552-9762a0fff763.gz is an FCIDUMP file.
-2024-12-09 15:28:45,450 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,451 - INFO - instance_data_object_uuid 77c12db8-c32e-4f88-8552-9762a0fff763 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,451 - INFO - parsing ../problem_instances/problem_instance.li_h_0.6d355019-13aa-41fc-a530-31d5f968ba22.json
-2024-12-09 15:28:45,451 - INFO - problem_instance UUID: 6d355019-13aa-41fc-a530-31d5f968ba22
-2024-12-09 15:28:45,451 - INFO - problem_instance short name: li_h_0
-2024-12-09 15:28:45,451 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,451 - INFO - task UUID: 92917287-d937-410c-bb70-c1f34224fab7...
-2024-12-09 15:28:45,452 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,453 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,453 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,453 - INFO - supporting data file UUID: 9c6f0876-5690-4391-a98c-0347d111257e.
-2024-12-09 15:28:45,453 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz.
-2024-12-09 15:28:45,453 - INFO - assuming fcidump.li_h_cc-pVDZ.9c6f0876-5690-4391-a98c-0347d111257e.gz is an FCIDUMP file.
-2024-12-09 15:28:45,467 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,467 - INFO - instance_data_object_uuid 9c6f0876-5690-4391-a98c-0347d111257e is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,467 - INFO - supporting data file UUID: 0be93350-ebd5-4fd0-bbbe-029a7cc7681b.
-2024-12-09 15:28:45,467 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk.
-2024-12-09 15:28:45,468 - INFO - assuming li_h_cc-pVDZ.0be93350-ebd5-4fd0-bbbe-029a7cc7681b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,468 - INFO - task UUID: 13b4bdcc-1cef-419a-92b1-156febff71d4...
-2024-12-09 15:28:45,469 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,469 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,469 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,469 - INFO - supporting data file UUID: c21d87dd-9338-4498-8ed6-95b0dacd75b1.
-2024-12-09 15:28:45,469 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz.
-2024-12-09 15:28:45,469 - INFO - assuming fcidump.li_h_cc-pVQZ.c21d87dd-9338-4498-8ed6-95b0dacd75b1.gz is an FCIDUMP file.
-2024-12-09 15:28:45,483 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,484 - INFO - instance_data_object_uuid c21d87dd-9338-4498-8ed6-95b0dacd75b1 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,484 - INFO - supporting data file UUID: 10693a03-698b-416a-80c0-dd563193c1d4.
-2024-12-09 15:28:45,484 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk.
-2024-12-09 15:28:45,484 - INFO - assuming li_h_cc-pVQZ.10693a03-698b-416a-80c0-dd563193c1d4.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,484 - INFO - task UUID: d15db194-aa2d-4de9-8f86-fcffeb82f38b...
-2024-12-09 15:28:45,485 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,485 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,485 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,485 - INFO - supporting data file UUID: 02d12f52-ff42-4adf-99b9-acada93cb96b.
-2024-12-09 15:28:45,485 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz.
-2024-12-09 15:28:45,485 - INFO - assuming fcidump.li_h_cc-pVTZ.02d12f52-ff42-4adf-99b9-acada93cb96b.gz is an FCIDUMP file.
-2024-12-09 15:28:45,499 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,500 - INFO - instance_data_object_uuid 02d12f52-ff42-4adf-99b9-acada93cb96b is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,500 - INFO - supporting data file UUID: 17337d1b-d2a5-4121-bf4a-d7236edd5c05.
-2024-12-09 15:28:45,500 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk.
-2024-12-09 15:28:45,500 - INFO - assuming li_h_cc-pVTZ.17337d1b-d2a5-4121-bf4a-d7236edd5c05.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,500 - INFO - parsing ../problem_instances/problem_instance.li2_0.3301a356-21a9-472b-8021-f02f4d2c9eec.json
-2024-12-09 15:28:45,500 - INFO - problem_instance UUID: 3301a356-21a9-472b-8021-f02f4d2c9eec
-2024-12-09 15:28:45,500 - INFO - problem_instance short name: li2_0
-2024-12-09 15:28:45,500 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,500 - INFO - task UUID: e7d3b8bd-ff6c-44f6-8a9e-b9b75396cee0...
-2024-12-09 15:28:45,501 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,501 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,501 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,502 - INFO - supporting data file UUID: 243670ee-2d2e-4d90-abc1-16938a04a80b.
-2024-12-09 15:28:45,502 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz.
-2024-12-09 15:28:45,502 - INFO - assuming fcidump.li2_cc-pVDZ.243670ee-2d2e-4d90-abc1-16938a04a80b.gz is an FCIDUMP file.
-2024-12-09 15:28:45,515 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,516 - INFO - instance_data_object_uuid 243670ee-2d2e-4d90-abc1-16938a04a80b is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,516 - INFO - supporting data file UUID: 948cb44e-e229-4be7-ba48-8ee73e042a6a.
-2024-12-09 15:28:45,516 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk.
-2024-12-09 15:28:45,516 - INFO - assuming li2_cc-pVDZ.948cb44e-e229-4be7-ba48-8ee73e042a6a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,516 - INFO - task UUID: aaa24a30-ade6-44a6-b6aa-51bf54c31eef...
-2024-12-09 15:28:45,517 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,517 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,517 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,517 - INFO - supporting data file UUID: 6224abe8-831e-4b52-b8d9-8ebac0a35c2b.
-2024-12-09 15:28:45,517 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz.
-2024-12-09 15:28:45,517 - INFO - assuming fcidump.li2_cc-pVQZ.6224abe8-831e-4b52-b8d9-8ebac0a35c2b.gz is an FCIDUMP file.
-2024-12-09 15:28:45,531 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,532 - INFO - instance_data_object_uuid 6224abe8-831e-4b52-b8d9-8ebac0a35c2b is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,532 - INFO - supporting data file UUID: 2c2461b8-9343-4405-a3d5-aadd0a6cdac9.
-2024-12-09 15:28:45,532 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk.
-2024-12-09 15:28:45,532 - INFO - assuming li2_cc-pVQZ.2c2461b8-9343-4405-a3d5-aadd0a6cdac9.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,532 - INFO - task UUID: 410cd417-988a-4f7f-99ad-93dda7eacdcb...
-2024-12-09 15:28:45,533 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,533 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,533 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,533 - INFO - supporting data file UUID: 26d2547c-96a4-400d-9528-9987ae6699b2.
-2024-12-09 15:28:45,533 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz.
-2024-12-09 15:28:45,533 - INFO - assuming fcidump.li2_cc-pVTZ.26d2547c-96a4-400d-9528-9987ae6699b2.gz is an FCIDUMP file.
-2024-12-09 15:28:45,547 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,547 - INFO - instance_data_object_uuid 26d2547c-96a4-400d-9528-9987ae6699b2 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,547 - INFO - supporting data file UUID: e51ca409-0d43-4958-b89d-b0a3906c91d5.
-2024-12-09 15:28:45,548 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk.
-2024-12-09 15:28:45,548 - INFO - assuming li2_cc-pVTZ.e51ca409-0d43-4958-b89d-b0a3906c91d5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,548 - INFO - parsing ../problem_instances/problem_instance.h_f_0.892e3341-7186-44c6-9a1a-20f270ddc8b8.json
-2024-12-09 15:28:45,548 - INFO - problem_instance UUID: 892e3341-7186-44c6-9a1a-20f270ddc8b8
-2024-12-09 15:28:45,548 - INFO - problem_instance short name: h_f_0
-2024-12-09 15:28:45,548 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,548 - INFO - task UUID: b59bd259-4941-4cec-bca5-e2795c35d8e0...
-2024-12-09 15:28:45,549 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,550 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,550 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,550 - INFO - supporting data file UUID: b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.
-2024-12-09 15:28:45,550 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz.
-2024-12-09 15:28:45,550 - INFO - assuming fcidump.h_f_cc-pVDZ.b93a2eeb-79c3-4f98-8919-f5e0aaedcea7.gz is an FCIDUMP file.
-2024-12-09 15:28:45,564 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,564 - INFO - instance_data_object_uuid b93a2eeb-79c3-4f98-8919-f5e0aaedcea7 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,565 - INFO - supporting data file UUID: 3bb657ac-2131-4ee7-9859-9e4ff876245a.
-2024-12-09 15:28:45,565 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk.
-2024-12-09 15:28:45,565 - INFO - assuming h_f_cc-pVDZ.3bb657ac-2131-4ee7-9859-9e4ff876245a.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,565 - INFO - task UUID: 9e3c577f-a25d-42f5-a809-61dfb63a52de...
-2024-12-09 15:28:45,566 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,566 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,566 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,566 - INFO - supporting data file UUID: ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.
-2024-12-09 15:28:45,566 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz.
-2024-12-09 15:28:45,566 - INFO - assuming fcidump.h_f_cc-pVQZ.ff2ff7dd-2eb8-4565-a59e-76a47db07fbc.gz is an FCIDUMP file.
-2024-12-09 15:28:45,581 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,581 - INFO - instance_data_object_uuid ff2ff7dd-2eb8-4565-a59e-76a47db07fbc is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,581 - INFO - supporting data file UUID: ddc246a3-9770-4542-8cfd-74afbff4e7a0.
-2024-12-09 15:28:45,581 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk.
-2024-12-09 15:28:45,581 - INFO - assuming h_f_cc-pVQZ.ddc246a3-9770-4542-8cfd-74afbff4e7a0.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,581 - INFO - task UUID: daa86ad6-bda9-4d47-a50d-4ec34801bd82...
-2024-12-09 15:28:45,582 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,582 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,582 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,583 - INFO - supporting data file UUID: 819ffa8e-51ee-4e78-aa07-17686d7a9488.
-2024-12-09 15:28:45,583 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz.
-2024-12-09 15:28:45,583 - INFO - assuming fcidump.h_f_cc-pVTZ.819ffa8e-51ee-4e78-aa07-17686d7a9488.gz is an FCIDUMP file.
-2024-12-09 15:28:45,596 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,597 - INFO - instance_data_object_uuid 819ffa8e-51ee-4e78-aa07-17686d7a9488 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,597 - INFO - supporting data file UUID: 7369a736-b751-4ace-a057-7f6a07194ffa.
-2024-12-09 15:28:45,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk.
-2024-12-09 15:28:45,597 - INFO - assuming h_f_cc-pVTZ.7369a736-b751-4ace-a057-7f6a07194ffa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,597 - INFO - parsing ../problem_instances/problem_instance.Fe_0.05abb33d-ecea-406f-8832-31a814b26dfd.json
-2024-12-09 15:28:45,597 - INFO - problem_instance UUID: 05abb33d-ecea-406f-8832-31a814b26dfd
-2024-12-09 15:28:45,597 - INFO - problem_instance short name: Fe_0
-2024-12-09 15:28:45,597 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,597 - INFO - task UUID: 5b8f4746-a08b-4ec5-92e2-ce55cc2fdb75...
-2024-12-09 15:28:45,599 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,599 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,599 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,599 - INFO - supporting data file UUID: 133ec573-3d06-4582-b2f5-8afe8be8dbe3.
-2024-12-09 15:28:45,599 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz.
-2024-12-09 15:28:45,599 - INFO - assuming fcidump.Fe0_vdz.133ec573-3d06-4582-b2f5-8afe8be8dbe3.gz is an FCIDUMP file.
-2024-12-09 15:28:45,613 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,614 - INFO - instance_data_object_uuid 133ec573-3d06-4582-b2f5-8afe8be8dbe3 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,614 - INFO - supporting data file UUID: 6644ed13-743e-4f98-8ab9-6c2abf88d032.
-2024-12-09 15:28:45,614 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk.
-2024-12-09 15:28:45,614 - INFO - assuming Fe0_vdz.6644ed13-743e-4f98-8ab9-6c2abf88d032.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,614 - INFO - task UUID: c63f5f9b-ee73-4887-949b-dd1e74c31874...
-2024-12-09 15:28:45,615 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,615 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,615 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,615 - INFO - supporting data file UUID: cb274492-6acb-4426-a4f6-8cb4a8cef3c5.
-2024-12-09 15:28:45,615 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz.
-2024-12-09 15:28:45,615 - INFO - assuming fcidump.Fe0_vtz.cb274492-6acb-4426-a4f6-8cb4a8cef3c5.gz is an FCIDUMP file.
-2024-12-09 15:28:45,630 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,630 - INFO - instance_data_object_uuid cb274492-6acb-4426-a4f6-8cb4a8cef3c5 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,630 - INFO - supporting data file UUID: 9d520d39-2e21-4294-8d58-af6d068b38de.
-2024-12-09 15:28:45,630 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk.
-2024-12-09 15:28:45,630 - INFO - assuming Fe0_vtz.9d520d39-2e21-4294-8d58-af6d068b38de.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,630 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0010.bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8.json
-2024-12-09 15:28:45,630 - INFO - problem_instance UUID: bf3fb654-72c7-4fd4-bfd1-9ffef5aaebd8
-2024-12-09 15:28:45,630 - INFO - problem_instance short name: planted_solution_0010
-2024-12-09 15:28:45,630 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,630 - INFO - task UUID: 7cc1ed5c-0dcb-4315-9e51-2ae94b5cdd02...
-2024-12-09 15:28:45,632 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,632 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,632 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,632 - INFO - supporting data file UUID: eea867d0-285e-462d-94ab-15579c782be7.
-2024-12-09 15:28:45,632 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz.
-2024-12-09 15:28:45,632 - INFO - assuming fcidump.planted_solution_0010.eea867d0-285e-462d-94ab-15579c782be7.gz is an FCIDUMP file.
-2024-12-09 15:28:45,647 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,647 - INFO - instance_data_object_uuid eea867d0-285e-462d-94ab-15579c782be7 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,647 - INFO - parsing ../problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json
-2024-12-09 15:28:45,647 - INFO - problem_instance UUID: b78a10f2-ce8a-43c0-69ec-4cf666d8e85c
-2024-12-09 15:28:45,647 - INFO - problem_instance short name: ru_macho
-2024-12-09 15:28:45,647 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,647 - INFO - task UUID: 4357d5bb-ed2b-466a-947b-e868afb81d3d...
-2024-12-09 15:28:45,648 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,648 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,648 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,649 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,650 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,650 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,650 - INFO - supporting data file UUID: 1dc29784-ab7f-45a1-9821-31fea4363d74.
-2024-12-09 15:28:45,650 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz.
-2024-12-09 15:28:45,650 - INFO - assuming fcidump.2_co2_0.2_old.1dc29784-ab7f-45a1-9821-31fea4363d74.gz is an FCIDUMP file.
-2024-12-09 15:28:45,664 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,665 - INFO - instance_data_object_uuid 1dc29784-ab7f-45a1-9821-31fea4363d74 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,665 - INFO - task UUID: b164af91-a758-445c-8e78-610ffd2ad795...
-2024-12-09 15:28:45,665 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,665 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,665 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,666 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,667 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,667 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,667 - INFO - supporting data file UUID: 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.
-2024-12-09 15:28:45,667 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz.
-2024-12-09 15:28:45,667 - INFO - assuming fcidump.7_melact_0.2_old.5dbed2ac-f9a4-4afe-9b18-f67378a51fb2.gz is an FCIDUMP file.
-2024-12-09 15:28:45,682 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,682 - INFO - instance_data_object_uuid 5dbed2ac-f9a4-4afe-9b18-f67378a51fb2 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,682 - INFO - task UUID: 28bd4997-c04c-4914-9984-0101713041fe...
-2024-12-09 15:28:45,683 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,683 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,683 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,684 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,684 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,685 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,685 - INFO - supporting data file UUID: 587f69a8-4295-4d6d-811e-0eacfbc5f6dd.
-2024-12-09 15:28:45,685 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz.
-2024-12-09 15:28:45,685 - INFO - assuming fcidump.8_melact_0.2_old.587f69a8-4295-4d6d-811e-0eacfbc5f6dd.gz is an FCIDUMP file.
-2024-12-09 15:28:45,699 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,699 - INFO - instance_data_object_uuid 587f69a8-4295-4d6d-811e-0eacfbc5f6dd is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,699 - INFO - task UUID: dcf2b441-b297-4a89-ae18-5778ec2d674d...
-2024-12-09 15:28:45,699 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,700 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,700 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,701 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,702 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,702 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,702 - INFO - supporting data file UUID: 46aea10c-d57f-4133-9837-3c57d474d9a2.
-2024-12-09 15:28:45,702 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz.
-2024-12-09 15:28:45,702 - INFO - assuming fcidump.0_ru_macho_noncan_0.2_new.46aea10c-d57f-4133-9837-3c57d474d9a2.gz is an FCIDUMP file.
-2024-12-09 15:28:45,717 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,717 - INFO - instance_data_object_uuid 46aea10c-d57f-4133-9837-3c57d474d9a2 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,717 - INFO - task UUID: 6346b7fe-a4a5-4b10-a79b-706d4339923e...
-2024-12-09 15:28:45,717 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,717 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,717 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,719 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,719 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,719 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,719 - INFO - supporting data file UUID: 496aaf89-2cdf-43cf-8b25-246e915cc8b5.
-2024-12-09 15:28:45,719 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz.
-2024-12-09 15:28:45,719 - INFO - assuming fcidump.1_ru_macho_noncan_0.2_new.496aaf89-2cdf-43cf-8b25-246e915cc8b5.gz is an FCIDUMP file.
-2024-12-09 15:28:45,733 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,733 - INFO - instance_data_object_uuid 496aaf89-2cdf-43cf-8b25-246e915cc8b5 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,734 - INFO - task UUID: 68db6781-dd54-43c4-b667-7b754c4d5cdb...
-2024-12-09 15:28:45,734 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,734 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,734 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,735 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,735 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,736 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,736 - INFO - supporting data file UUID: 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.
-2024-12-09 15:28:45,736 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz.
-2024-12-09 15:28:45,736 - INFO - assuming fcidump.3_ts_ru_macho_co2_noncan_0.2_new.0d7e4a74-fd11-46e3-ba22-044a7ebc54c7.gz is an FCIDUMP file.
-2024-12-09 15:28:45,751 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,751 - INFO - instance_data_object_uuid 0d7e4a74-fd11-46e3-ba22-044a7ebc54c7 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,751 - INFO - task UUID: d3ecd428-ee03-4d8b-aa14-af4d935781ed...
-2024-12-09 15:28:45,751 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,751 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,751 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,752 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,753 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,753 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,753 - INFO - supporting data file UUID: e5e63f77-dbaa-431c-a53f-93c0f4c0758d.
-2024-12-09 15:28:45,753 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz.
-2024-12-09 15:28:45,753 - INFO - assuming fcidump.4_ts_ru_macho_co2_noncan_0.2_new.e5e63f77-dbaa-431c-a53f-93c0f4c0758d.gz is an FCIDUMP file.
-2024-12-09 15:28:45,768 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,768 - INFO - instance_data_object_uuid e5e63f77-dbaa-431c-a53f-93c0f4c0758d is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,768 - INFO - task UUID: 89253c8f-0f01-4046-a138-1bada22f0a6a...
-2024-12-09 15:28:45,768 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,768 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,768 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,769 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,770 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,770 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,770 - INFO - supporting data file UUID: d7bea809-6e34-49f8-8daf-8d728dd18268.
-2024-12-09 15:28:45,770 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz.
-2024-12-09 15:28:45,770 - INFO - assuming fcidump.5_ts_ru_macho_melact_noncan_0.2_new.d7bea809-6e34-49f8-8daf-8d728dd18268.gz is an FCIDUMP file.
-2024-12-09 15:28:45,784 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,784 - INFO - instance_data_object_uuid d7bea809-6e34-49f8-8daf-8d728dd18268 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,785 - INFO - task UUID: 842d2152-2f91-4dce-b088-7ed26afb2381...
-2024-12-09 15:28:45,785 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,785 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,785 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,786 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,787 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,787 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,787 - INFO - supporting data file UUID: 73ae455f-a729-4fac-a626-5654b03c1ef5.
-2024-12-09 15:28:45,787 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz.
-2024-12-09 15:28:45,787 - INFO - assuming fcidump.6_ts_ru_macho_melact_noncan_0.2_new.73ae455f-a729-4fac-a626-5654b03c1ef5.gz is an FCIDUMP file.
-2024-12-09 15:28:45,801 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,801 - INFO - instance_data_object_uuid 73ae455f-a729-4fac-a626-5654b03c1ef5 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,802 - INFO - parsing ../problem_instances/problem_instance.Cu_1.d5c7ab73-dfc1-499e-9027-601476004107.json
-2024-12-09 15:28:45,802 - INFO - problem_instance UUID: d5c7ab73-dfc1-499e-9027-601476004107
-2024-12-09 15:28:45,802 - INFO - problem_instance short name: Cu_1
-2024-12-09 15:28:45,802 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,802 - INFO - task UUID: 5f5fee92-5821-4d38-a54a-d204660f205f...
-2024-12-09 15:28:45,803 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,803 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,803 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,803 - INFO - supporting data file UUID: 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.
-2024-12-09 15:28:45,803 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz.
-2024-12-09 15:28:45,804 - INFO - assuming fcidump.Cu1_vdz.6facf2d4-6cb3-49b6-8b66-3bd21c1461ec.gz is an FCIDUMP file.
-2024-12-09 15:28:45,818 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,818 - INFO - instance_data_object_uuid 6facf2d4-6cb3-49b6-8b66-3bd21c1461ec is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,818 - INFO - supporting data file UUID: 36737c9f-2f69-4963-91a1-daf7a2a3fcfd.
-2024-12-09 15:28:45,818 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk.
-2024-12-09 15:28:45,818 - INFO - assuming Cu1_vdz.36737c9f-2f69-4963-91a1-daf7a2a3fcfd.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,818 - INFO - task UUID: 1c7f5399-8982-4daf-81a5-7cef4e4588cc...
-2024-12-09 15:28:45,820 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,820 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,820 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,820 - INFO - supporting data file UUID: 68952c71-d281-40fa-bcd2-cb0352f70a89.
-2024-12-09 15:28:45,820 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz.
-2024-12-09 15:28:45,820 - INFO - assuming fcidump.Cu1_vtz.68952c71-d281-40fa-bcd2-cb0352f70a89.gz is an FCIDUMP file.
-2024-12-09 15:28:45,834 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,835 - INFO - instance_data_object_uuid 68952c71-d281-40fa-bcd2-cb0352f70a89 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,835 - INFO - supporting data file UUID: d9bbc858-2cef-43ee-896f-c9059d2b13b5.
-2024-12-09 15:28:45,835 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk.
-2024-12-09 15:28:45,835 - INFO - assuming Cu1_vtz.d9bbc858-2cef-43ee-896f-c9059d2b13b5.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,835 - INFO - parsing ../problem_instances/problem_instance.n_h3_0.127cfea5-8a7d-45a0-9012-949816a0b8d9.json
-2024-12-09 15:28:45,835 - INFO - problem_instance UUID: 127cfea5-8a7d-45a0-9012-949816a0b8d9
-2024-12-09 15:28:45,835 - INFO - problem_instance short name: n_h3_0
-2024-12-09 15:28:45,835 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,835 - INFO - task UUID: 77c3a92c-066c-4043-a4a1-5e8324014d0b...
-2024-12-09 15:28:45,836 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,836 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,836 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,836 - INFO - supporting data file UUID: 9820e181-088a-4b00-8a14-8cafb952ccdd.
-2024-12-09 15:28:45,836 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz.
-2024-12-09 15:28:45,837 - INFO - assuming fcidump.n_h3_cc-pVDZ.9820e181-088a-4b00-8a14-8cafb952ccdd.gz is an FCIDUMP file.
-2024-12-09 15:28:45,850 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,851 - INFO - instance_data_object_uuid 9820e181-088a-4b00-8a14-8cafb952ccdd is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,851 - INFO - supporting data file UUID: e3cda046-ae0d-47d9-b012-7f1e5f632f71.
-2024-12-09 15:28:45,851 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk.
-2024-12-09 15:28:45,851 - INFO - assuming n_h3_cc-pVDZ.e3cda046-ae0d-47d9-b012-7f1e5f632f71.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,851 - INFO - task UUID: 1094e868-f84e-403b-9b54-50802b1cdb60...
-2024-12-09 15:28:45,852 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,852 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,852 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,852 - INFO - supporting data file UUID: 3b423f54-aa64-4331-a59b-d6c37de1fbb6.
-2024-12-09 15:28:45,852 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz.
-2024-12-09 15:28:45,852 - INFO - assuming fcidump.n_h3_cc-pVTZ.3b423f54-aa64-4331-a59b-d6c37de1fbb6.gz is an FCIDUMP file.
-2024-12-09 15:28:45,866 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,867 - INFO - instance_data_object_uuid 3b423f54-aa64-4331-a59b-d6c37de1fbb6 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,867 - INFO - supporting data file UUID: 15125674-abf8-4db2-9db6-9d293b677584.
-2024-12-09 15:28:45,867 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk.
-2024-12-09 15:28:45,867 - INFO - assuming n_h3_cc-pVTZ.15125674-abf8-4db2-9db6-9d293b677584.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,867 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0006.42958a3e-8b35-4992-acd8-6711848066c1.json
-2024-12-09 15:28:45,867 - INFO - problem_instance UUID: 42958a3e-8b35-4992-acd8-6711848066c1
-2024-12-09 15:28:45,867 - INFO - problem_instance short name: planted_solution_0006
-2024-12-09 15:28:45,867 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,867 - INFO - task UUID: d28f02ba-d43f-4df9-a01a-f1e8ac326e08...
-2024-12-09 15:28:45,868 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,868 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,868 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,868 - INFO - supporting data file UUID: a4b9a6bd-4479-44b2-b172-642f74396781.
-2024-12-09 15:28:45,868 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz.
-2024-12-09 15:28:45,868 - INFO - assuming fcidump.planted_solution_0006.a4b9a6bd-4479-44b2-b172-642f74396781.gz is an FCIDUMP file.
-2024-12-09 15:28:45,883 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,883 - INFO - instance_data_object_uuid a4b9a6bd-4479-44b2-b172-642f74396781 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,883 - INFO - parsing ../problem_instances/problem_instance.n2_h4_0.f1a6b508-75e8-4afb-9c81-fc61af11b523.json
-2024-12-09 15:28:45,883 - INFO - problem_instance UUID: f1a6b508-75e8-4afb-9c81-fc61af11b523
-2024-12-09 15:28:45,883 - INFO - problem_instance short name: n2_h4_0
-2024-12-09 15:28:45,883 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,884 - INFO - task UUID: 828c931b-4d5a-486e-ba26-abb293c1ccef...
-2024-12-09 15:28:45,885 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,885 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,885 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,885 - INFO - supporting data file UUID: aba33661-3ce8-4f28-824f-e98244906d94.
-2024-12-09 15:28:45,885 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz.
-2024-12-09 15:28:45,885 - INFO - assuming fcidump.n2_h4_cc-pVDZ.aba33661-3ce8-4f28-824f-e98244906d94.gz is an FCIDUMP file.
-2024-12-09 15:28:45,899 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,900 - INFO - instance_data_object_uuid aba33661-3ce8-4f28-824f-e98244906d94 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,900 - INFO - supporting data file UUID: 93193d14-3f99-4495-bcf8-e60f9d863904.
-2024-12-09 15:28:45,900 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk.
-2024-12-09 15:28:45,900 - INFO - assuming n2_h4_cc-pVDZ.93193d14-3f99-4495-bcf8-e60f9d863904.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,900 - INFO - parsing ../problem_instances/problem_instance.c2_h4_0.9fbd9b4c-5ea9-4095-af7b-7d4491399e42.json
-2024-12-09 15:28:45,900 - INFO - problem_instance UUID: 9fbd9b4c-5ea9-4095-af7b-7d4491399e42
-2024-12-09 15:28:45,900 - INFO - problem_instance short name: c2_h4_0
-2024-12-09 15:28:45,900 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,900 - INFO - task UUID: 26423f2e-e3e1-4bbb-b2ff-52bdae87d65b...
-2024-12-09 15:28:45,901 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,902 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,902 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,902 - INFO - supporting data file UUID: 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.
-2024-12-09 15:28:45,902 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz.
-2024-12-09 15:28:45,902 - INFO - assuming fcidump.c2_h4_cc-pVDZ.40035d66-75b8-4b6e-95e5-8b1a3ff1a61d.gz is an FCIDUMP file.
-2024-12-09 15:28:45,916 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,916 - INFO - instance_data_object_uuid 40035d66-75b8-4b6e-95e5-8b1a3ff1a61d is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,916 - INFO - supporting data file UUID: f563c847-e680-4452-8320-aa3b4e8aa3b7.
-2024-12-09 15:28:45,916 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk.
-2024-12-09 15:28:45,917 - INFO - assuming c2_h4_cc-pVDZ.f563c847-e680-4452-8320-aa3b4e8aa3b7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,917 - INFO - task UUID: 9757b7c2-d420-4ebb-8da7-38238951a5ca...
-2024-12-09 15:28:45,918 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,918 - INFO - number of orbitals:  116
-2024-12-09 15:28:45,918 - INFO - too many orbitals!  we are only considering max_num_orbitals 110.
-2024-12-09 15:28:45,918 - INFO - skipping this Hamiltonian for now now.  We will revisit it later.
-2024-12-09 15:28:45,918 - INFO - moving on ...
-2024-12-09 15:28:45,918 - INFO - parsing ../problem_instances/problem_instance.O_1.d712afaf-6ec4-42d9-b5fd-1edee3ec1046.json
-2024-12-09 15:28:45,918 - INFO - problem_instance UUID: d712afaf-6ec4-42d9-b5fd-1edee3ec1046
-2024-12-09 15:28:45,918 - INFO - problem_instance short name: O_1
-2024-12-09 15:28:45,918 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,918 - INFO - task UUID: 752966e5-7de7-4506-82ae-6b22cd54b1c1...
-2024-12-09 15:28:45,919 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,920 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,920 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,920 - INFO - supporting data file UUID: 0767fb16-25bd-4f1c-b134-6b536191b36e.
-2024-12-09 15:28:45,920 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz.
-2024-12-09 15:28:45,920 - INFO - assuming fcidump.O1_vdz.0767fb16-25bd-4f1c-b134-6b536191b36e.gz is an FCIDUMP file.
-2024-12-09 15:28:45,934 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,934 - INFO - instance_data_object_uuid 0767fb16-25bd-4f1c-b134-6b536191b36e is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,934 - INFO - supporting data file UUID: db942588-339b-4fb6-a293-f853ebb812d7.
-2024-12-09 15:28:45,935 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk.
-2024-12-09 15:28:45,935 - INFO - assuming O1_vdz.db942588-339b-4fb6-a293-f853ebb812d7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,935 - INFO - task UUID: 64122cc6-e1bb-4c11-8d00-2189d27194f1...
-2024-12-09 15:28:45,936 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,936 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,936 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,936 - INFO - supporting data file UUID: 3b587c2c-9579-4c7b-8b3f-e00c69c42981.
-2024-12-09 15:28:45,936 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz.
-2024-12-09 15:28:45,936 - INFO - assuming fcidump.O1_vqz.3b587c2c-9579-4c7b-8b3f-e00c69c42981.gz is an FCIDUMP file.
-2024-12-09 15:28:45,950 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,951 - INFO - instance_data_object_uuid 3b587c2c-9579-4c7b-8b3f-e00c69c42981 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,951 - INFO - supporting data file UUID: 9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.
-2024-12-09 15:28:45,951 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk.
-2024-12-09 15:28:45,951 - INFO - assuming O1_vqz.9f9fdd09-bfd1-4771-a9b7-fbd854a6b0dc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,951 - INFO - task UUID: f9bdbb3b-91b6-43f3-93ca-bef1e10d3835...
-2024-12-09 15:28:45,952 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,952 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,952 - INFO - number of supporting files: 2
-2024-12-09 15:28:45,952 - INFO - supporting data file UUID: ee1c9912-bca9-42fa-a90d-421e9a26c785.
-2024-12-09 15:28:45,952 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz.
-2024-12-09 15:28:45,953 - INFO - assuming fcidump.O1_vtz.ee1c9912-bca9-42fa-a90d-421e9a26c785.gz is an FCIDUMP file.
-2024-12-09 15:28:45,967 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,967 - INFO - instance_data_object_uuid ee1c9912-bca9-42fa-a90d-421e9a26c785 is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,967 - INFO - supporting data file UUID: b295de3f-c1ac-42ed-baf4-97cc52e0dba2.
-2024-12-09 15:28:45,967 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk.
-2024-12-09 15:28:45,967 - INFO - assuming O1_vtz.b295de3f-c1ac-42ed-baf4-97cc52e0dba2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:45,967 - INFO - parsing ../problem_instances/problem_instance.cr_dimer.8ed1a800-a4c6-4bff-a6de-cb220554c42f.json
-2024-12-09 15:28:45,968 - INFO - problem_instance UUID: 8ed1a800-a4c6-4bff-a6de-cb220554c42f
-2024-12-09 15:28:45,968 - INFO - problem_instance short name: cr_dimer
-2024-12-09 15:28:45,968 - INFO - contains 12 associated tasks (Hamiltonians).
-2024-12-09 15:28:45,968 - INFO - task UUID: 9030e9c9-0323-413c-a98e-aba16b180ba7...
-2024-12-09 15:28:45,968 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,968 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,968 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,969 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,970 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,970 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,970 - INFO - supporting data file UUID: 3092dd74-660d-4c7a-9d43-16d1436e084b.
-2024-12-09 15:28:45,970 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz.
-2024-12-09 15:28:45,970 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_12.3092dd74-660d-4c7a-9d43-16d1436e084b.gz is an FCIDUMP file.
-2024-12-09 15:28:45,984 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:45,985 - INFO - instance_data_object_uuid 3092dd74-660d-4c7a-9d43-16d1436e084b is already in the feature database.  Skipping it!
-2024-12-09 15:28:45,985 - INFO - task UUID: c7c653b0-4440-4a36-a66b-8b81a9a351c7...
-2024-12-09 15:28:45,985 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:45,985 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:45,985 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:45,986 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:45,987 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:45,987 - INFO - number of supporting files: 1
-2024-12-09 15:28:45,987 - INFO - supporting data file UUID: 96843098-e69d-4d1f-8a88-5b24826f7390.
-2024-12-09 15:28:45,987 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz.
-2024-12-09 15:28:45,987 - INFO - assuming FCIDUMP_d_1.68_b_sto-3g_ne_28.96843098-e69d-4d1f-8a88-5b24826f7390.gz is an FCIDUMP file.
-2024-12-09 15:28:46,000 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,001 - INFO - instance_data_object_uuid 96843098-e69d-4d1f-8a88-5b24826f7390 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,001 - INFO - task UUID: 82f35801-6276-4090-a9aa-b821d94708d4...
-2024-12-09 15:28:46,001 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,001 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,001 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,002 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,003 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,003 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,003 - INFO - supporting data file UUID: 673dfe91-d90e-4ecd-8560-d6d74de11070.
-2024-12-09 15:28:46,003 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz.
-2024-12-09 15:28:46,003 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_12.673dfe91-d90e-4ecd-8560-d6d74de11070.gz is an FCIDUMP file.
-2024-12-09 15:28:46,017 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,017 - INFO - instance_data_object_uuid 673dfe91-d90e-4ecd-8560-d6d74de11070 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,017 - INFO - task UUID: 362386c9-f0c2-483e-a64d-52208ab9bbc1...
-2024-12-09 15:28:46,017 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,017 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,017 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,018 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,019 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,019 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,019 - INFO - supporting data file UUID: 4412b7d6-86db-4616-9dd2-2c32ee02560f.
-2024-12-09 15:28:46,019 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz.
-2024-12-09 15:28:46,019 - INFO - assuming FCIDUMP_d_1.68_b_cc-pvdz-dk_ne_28.4412b7d6-86db-4616-9dd2-2c32ee02560f.gz is an FCIDUMP file.
-2024-12-09 15:28:46,033 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,034 - INFO - instance_data_object_uuid 4412b7d6-86db-4616-9dd2-2c32ee02560f is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,034 - INFO - task UUID: 61ad4cfe-b057-4dd8-bd06-ed56347745c1...
-2024-12-09 15:28:46,034 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,034 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,034 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,035 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,036 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,036 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,036 - INFO - supporting data file UUID: cdf017c4-7c30-4274-9567-f5e55a6ba857.
-2024-12-09 15:28:46,036 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz.
-2024-12-09 15:28:46,036 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_12.cdf017c4-7c30-4274-9567-f5e55a6ba857.gz is an FCIDUMP file.
-2024-12-09 15:28:46,049 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,050 - INFO - instance_data_object_uuid cdf017c4-7c30-4274-9567-f5e55a6ba857 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,050 - INFO - task UUID: fc25a232-d249-4e1c-a9ec-360cab33f779...
-2024-12-09 15:28:46,050 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,050 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,050 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,051 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,052 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,052 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,052 - INFO - supporting data file UUID: d9341cde-90e8-4d1e-beb2-4e40246d31ce.
-2024-12-09 15:28:46,052 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz.
-2024-12-09 15:28:46,052 - INFO - assuming FCIDUMP_d_2.0_b_sto-3g_ne_28.d9341cde-90e8-4d1e-beb2-4e40246d31ce.gz is an FCIDUMP file.
-2024-12-09 15:28:46,066 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,066 - INFO - instance_data_object_uuid d9341cde-90e8-4d1e-beb2-4e40246d31ce is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,066 - INFO - task UUID: b99ec02f-b46a-43fe-8a87-1b3286e072d8...
-2024-12-09 15:28:46,067 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,067 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,067 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,068 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,068 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,069 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,069 - INFO - supporting data file UUID: 5439a548-153b-4990-be12-f0e33c30fe63.
-2024-12-09 15:28:46,069 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz.
-2024-12-09 15:28:46,069 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_12.5439a548-153b-4990-be12-f0e33c30fe63.gz is an FCIDUMP file.
-2024-12-09 15:28:46,083 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,083 - INFO - instance_data_object_uuid 5439a548-153b-4990-be12-f0e33c30fe63 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,083 - INFO - task UUID: 8874bf11-f594-41df-b8a0-d2a7441904a1...
-2024-12-09 15:28:46,083 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,083 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,083 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,085 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,085 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,085 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,085 - INFO - supporting data file UUID: e2995852-9911-4021-a82f-5b14ddb2d5c8.
-2024-12-09 15:28:46,085 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz.
-2024-12-09 15:28:46,086 - INFO - assuming FCIDUMP_d_2.0_b_cc-pvdz-dk_ne_28.e2995852-9911-4021-a82f-5b14ddb2d5c8.gz is an FCIDUMP file.
-2024-12-09 15:28:46,100 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,100 - INFO - instance_data_object_uuid e2995852-9911-4021-a82f-5b14ddb2d5c8 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,101 - INFO - task UUID: 202e6184-1e7d-4c02-a82a-f588b6abf809...
-2024-12-09 15:28:46,101 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,101 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,101 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,102 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,103 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,103 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,103 - INFO - supporting data file UUID: 67acc90d-1a9e-49a7-98a1-8ca643dca272.
-2024-12-09 15:28:46,103 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz.
-2024-12-09 15:28:46,103 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_12.67acc90d-1a9e-49a7-98a1-8ca643dca272.gz is an FCIDUMP file.
-2024-12-09 15:28:46,117 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,118 - INFO - instance_data_object_uuid 67acc90d-1a9e-49a7-98a1-8ca643dca272 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,118 - INFO - task UUID: 7c8f0a36-cda5-4b33-bb46-4e58a15b37a1...
-2024-12-09 15:28:46,118 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,118 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,118 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,120 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,120 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,120 - INFO - supporting data file UUID: 01d526fb-276e-4369-85d4-66a553a1d02e.
-2024-12-09 15:28:46,120 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz.
-2024-12-09 15:28:46,120 - INFO - assuming FCIDUMP_d_3.0_b_sto-3g_ne_28.01d526fb-276e-4369-85d4-66a553a1d02e.gz is an FCIDUMP file.
-2024-12-09 15:28:46,136 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,136 - INFO - instance_data_object_uuid 01d526fb-276e-4369-85d4-66a553a1d02e is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,136 - INFO - task UUID: cbab5937-5e2f-4f3f-819e-ede8b66d7238...
-2024-12-09 15:28:46,136 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,136 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,136 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,138 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,139 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,139 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,139 - INFO - supporting data file UUID: b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.
-2024-12-09 15:28:46,139 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz.
-2024-12-09 15:28:46,139 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_12.b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4.gz is an FCIDUMP file.
-2024-12-09 15:28:46,154 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,155 - INFO - instance_data_object_uuid b0eb2de4-1286-4cfb-8724-e5e4bfc7a4f4 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,155 - INFO - task UUID: c28e09e1-5983-42f7-9ecb-b271438ebcc8...
-2024-12-09 15:28:46,155 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-09 15:28:46,155 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-09 15:28:46,155 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-09 15:28:46,156 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,157 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,157 - INFO - number of supporting files: 1
-2024-12-09 15:28:46,157 - INFO - supporting data file UUID: 2101e6fa-9fb3-4697-98be-25a4e0de2079.
-2024-12-09 15:28:46,157 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz.
-2024-12-09 15:28:46,157 - INFO - assuming FCIDUMP_d_3.0_b_cc-pvdz-dk_ne_28.2101e6fa-9fb3-4697-98be-25a4e0de2079.gz is an FCIDUMP file.
-2024-12-09 15:28:46,172 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,173 - INFO - instance_data_object_uuid 2101e6fa-9fb3-4697-98be-25a4e0de2079 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,173 - INFO - parsing ../problem_instances/problem_instance.be_0.19cada59-64cc-466c-8809-782a4f574dcc.json
-2024-12-09 15:28:46,173 - INFO - problem_instance UUID: 19cada59-64cc-466c-8809-782a4f574dcc
-2024-12-09 15:28:46,173 - INFO - problem_instance short name: be_0
-2024-12-09 15:28:46,173 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:46,173 - INFO - task UUID: 3fb92ecd-bcbc-43dd-9f29-aa56ea646b75...
-2024-12-09 15:28:46,174 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,174 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,174 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,174 - INFO - supporting data file UUID: cc2b3628-dc13-4a95-8765-37211a995068.
-2024-12-09 15:28:46,174 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz.
-2024-12-09 15:28:46,174 - INFO - assuming fcidump.be_cc-pVDZ.cc2b3628-dc13-4a95-8765-37211a995068.gz is an FCIDUMP file.
-2024-12-09 15:28:46,188 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,189 - INFO - instance_data_object_uuid cc2b3628-dc13-4a95-8765-37211a995068 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,189 - INFO - supporting data file UUID: 79b642b0-4c36-4be3-813f-815ff5d4b99b.
-2024-12-09 15:28:46,189 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk.
-2024-12-09 15:28:46,189 - INFO - assuming be_cc-pVDZ.79b642b0-4c36-4be3-813f-815ff5d4b99b.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:46,189 - INFO - task UUID: afdc2f74-eb52-41ae-b72a-30e5a4c07013...
-2024-12-09 15:28:46,190 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,190 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,190 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,190 - INFO - supporting data file UUID: f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.
-2024-12-09 15:28:46,191 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz.
-2024-12-09 15:28:46,191 - INFO - assuming fcidump.be_cc-pVQZ.f9afcdc1-ce5c-40dd-ae18-0afc933da5bb.gz is an FCIDUMP file.
-2024-12-09 15:28:46,205 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,205 - INFO - instance_data_object_uuid f9afcdc1-ce5c-40dd-ae18-0afc933da5bb is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,205 - INFO - supporting data file UUID: 26c5cd51-33c9-4c10-969e-07daa488861d.
-2024-12-09 15:28:46,205 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk.
-2024-12-09 15:28:46,205 - INFO - assuming be_cc-pVQZ.26c5cd51-33c9-4c10-969e-07daa488861d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:46,206 - INFO - task UUID: 543e2ed4-a12d-495b-a246-1e4d905ad4a3...
-2024-12-09 15:28:46,207 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,207 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,207 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,207 - INFO - supporting data file UUID: fdc83bd0-c9bd-47da-abee-99b743b36494.
-2024-12-09 15:28:46,207 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz.
-2024-12-09 15:28:46,207 - INFO - assuming fcidump.be_cc-pVTZ.fdc83bd0-c9bd-47da-abee-99b743b36494.gz is an FCIDUMP file.
-2024-12-09 15:28:46,222 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,222 - INFO - instance_data_object_uuid fdc83bd0-c9bd-47da-abee-99b743b36494 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,222 - INFO - supporting data file UUID: fedfefb8-56ab-4bf5-8607-fe3950fd5962.
-2024-12-09 15:28:46,222 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk.
-2024-12-09 15:28:46,222 - INFO - assuming be_cc-pVTZ.fedfefb8-56ab-4bf5-8607-fe3950fd5962.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:46,222 - INFO - parsing ../problem_instances/problem_instance.f2_0.e3e78b41-577d-4536-a63f-7e968eeb6493.json
-2024-12-09 15:28:46,222 - INFO - problem_instance UUID: e3e78b41-577d-4536-a63f-7e968eeb6493
-2024-12-09 15:28:46,223 - INFO - problem_instance short name: f2_0
-2024-12-09 15:28:46,223 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 15:28:46,223 - INFO - task UUID: 94fc2317-29af-43a1-aaec-dade9850ca27...
-2024-12-09 15:28:46,224 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,224 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,224 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,224 - INFO - supporting data file UUID: ac269a87-2bc4-458e-8f4a-64f524c77044.
-2024-12-09 15:28:46,224 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz.
-2024-12-09 15:28:46,224 - INFO - assuming fcidump.f2_cc-pVDZ.ac269a87-2bc4-458e-8f4a-64f524c77044.gz is an FCIDUMP file.
-2024-12-09 15:28:46,240 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,240 - INFO - instance_data_object_uuid ac269a87-2bc4-458e-8f4a-64f524c77044 is already in the feature database.  Skipping it!
-2024-12-09 15:28:46,240 - INFO - supporting data file UUID: 6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.
-2024-12-09 15:28:46,240 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk.
-2024-12-09 15:28:46,240 - INFO - assuming f2_cc-pVDZ.6f7d1bce-200d-46a7-a655-d1e01cdfa6c1.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 15:28:46,240 - INFO - task UUID: fa8e83f2-cec5-4609-9b77-d713608a6b53...
-2024-12-09 15:28:46,241 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 15:28:46,242 - INFO - attempting to process the Hamiltonian...
-2024-12-09 15:28:46,242 - INFO - number of supporting files: 2
-2024-12-09 15:28:46,242 - INFO - supporting data file UUID: 29d645f8-ce30-4e18-9f41-644ac5f9d922.
-2024-12-09 15:28:46,242 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz.
-2024-12-09 15:28:46,242 - INFO - assuming fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz is an FCIDUMP file.
-2024-12-09 15:28:46,257 - INFO - number of entries in Hamiltonian_features.csv:  212
-2024-12-09 15:28:46,257 - INFO - did NOT find instance_data_object_uuid 29d645f8-ce30-4e18-9f41-644ac5f9d922 in database.
-2024-12-09 15:28:46,257 - INFO - Processing instance_data_object_uuid 29d645f8-ce30-4e18-9f41-644ac5f9d922 ...
-2024-12-09 15:28:46,257 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz...
-2024-12-09 15:28:46,303 - INFO - Connected (version 2.0, client 0)
-2024-12-09 15:28:46,813 - INFO - Authentication (publickey) successful!
-2024-12-09 15:28:46,829 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-09 15:30:58,490 - INFO - [chan 0] sftp session closed.
-2024-12-09 15:30:58,491 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-09 15:30:58,491 - INFO - decompressing file fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.gz...
-2024-12-09 15:31:04,298 - INFO - this script has been running for 5.03 hours.
-2024-12-09 15:31:04,298 - INFO - ===============================================
-2024-12-09 15:31:04,298 - INFO - calculating Hamiltonian features...
-2024-12-09 15:31:04,298 - INFO - reading data from fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922
-2024-12-09 15:31:45,875 - INFO - finished reading FCIDUMP data.
-2024-12-09 15:31:45,875 - INFO - data['NORB']: 110
-2024-12-09 15:31:45,875 - INFO - len(data['H1']): 110
-2024-12-09 15:31:45,875 - INFO - ao2mo.restore...
-2024-12-09 15:31:46,511 - INFO - done.
-2024-12-09 15:31:46,511 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-09 15:31:46,511 - INFO - done.
-2024-12-09 15:31:46,511 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-09 19:58:27,806 - INFO - done.
-2024-12-09 19:58:27,806 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-09 20:13:47,646 - INFO - done.
-2024-12-09 20:13:47,646 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-09 20:15:48,896 - INFO - done.
-2024-12-09 20:15:48,896 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-09 20:16:49,476 - INFO - done.
-2024-12-09 20:16:49,476 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-09 20:16:49,477 - INFO - done.
-2024-12-09 20:16:49,477 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-09 20:16:49,477 - INFO - done.
-2024-12-09 20:16:59,015 - INFO - Hamiltonian features calculation run time (seconds): 17154.716681
-2024-12-09 20:16:59,015 - INFO - wrote df_eigs to file: df_eigs.29d645f8-ce30-4e18-9f41-644ac5f9d922.bin
-2024-12-09 20:16:59,015 - INFO - deleting file fcidump.f2_cc-pVQZ.29d645f8-ce30-4e18-9f41-644ac5f9d922.
-2024-12-09 20:16:59,115 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-09 20:16:59,118 - INFO - this script has been running for 9.80 hours.
-2024-12-09 20:16:59,118 - INFO - supporting data file UUID: 5c169867-7d8c-44d8-8b34-4ecc34cd9649.
-2024-12-09 20:16:59,118 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVQZ.5c169867-7d8c-44d8-8b34-4ecc34cd9649.chk.
-2024-12-09 20:16:59,118 - INFO - assuming f2_cc-pVQZ.5c169867-7d8c-44d8-8b34-4ecc34cd9649.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 20:16:59,118 - INFO - task UUID: 3fb371ad-c738-40ae-b9ae-80e5bce8f2ac...
-2024-12-09 20:16:59,119 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 20:16:59,119 - INFO - attempting to process the Hamiltonian...
-2024-12-09 20:16:59,119 - INFO - number of supporting files: 2
-2024-12-09 20:16:59,119 - INFO - supporting data file UUID: 3c3967d4-17c1-4947-9465-b9223b01e694.
-2024-12-09 20:16:59,119 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz.
-2024-12-09 20:16:59,119 - INFO - assuming fcidump.f2_cc-pVTZ.3c3967d4-17c1-4947-9465-b9223b01e694.gz is an FCIDUMP file.
-2024-12-09 20:16:59,134 - INFO - number of entries in Hamiltonian_features.csv:  213
-2024-12-09 20:16:59,134 - INFO - instance_data_object_uuid 3c3967d4-17c1-4947-9465-b9223b01e694 is already in the feature database.  Skipping it!
-2024-12-09 20:16:59,134 - INFO - supporting data file UUID: 8627efa5-5412-4e91-9cd0-2a582c3c7c20.
-2024-12-09 20:16:59,134 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk.
-2024-12-09 20:16:59,134 - INFO - assuming f2_cc-pVTZ.8627efa5-5412-4e91-9cd0-2a582c3c7c20.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 20:16:59,134 - INFO - parsing ../problem_instances/problem_instance.n2_0.9bd9cde6-6daa-441a-984e-ae1c1c051e91.json
-2024-12-09 20:16:59,134 - INFO - problem_instance UUID: 9bd9cde6-6daa-441a-984e-ae1c1c051e91
-2024-12-09 20:16:59,134 - INFO - problem_instance short name: n2_0
-2024-12-09 20:16:59,134 - INFO - contains 3 associated tasks (Hamiltonians).
-2024-12-09 20:16:59,134 - INFO - task UUID: b9c35349-927d-47d5-8e0c-e054bbf4e4e0...
-2024-12-09 20:16:59,136 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 20:16:59,136 - INFO - attempting to process the Hamiltonian...
-2024-12-09 20:16:59,136 - INFO - number of supporting files: 2
-2024-12-09 20:16:59,136 - INFO - supporting data file UUID: 60c52c22-d27a-4544-8b9c-6022507611f9.
-2024-12-09 20:16:59,136 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz.
-2024-12-09 20:16:59,136 - INFO - assuming fcidump.n2_cc-pVDZ.60c52c22-d27a-4544-8b9c-6022507611f9.gz is an FCIDUMP file.
-2024-12-09 20:16:59,149 - INFO - number of entries in Hamiltonian_features.csv:  213
-2024-12-09 20:16:59,150 - INFO - instance_data_object_uuid 60c52c22-d27a-4544-8b9c-6022507611f9 is already in the feature database.  Skipping it!
-2024-12-09 20:16:59,150 - INFO - supporting data file UUID: a107e4ce-0b43-437a-8c59-c2c249d1798d.
-2024-12-09 20:16:59,150 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk.
-2024-12-09 20:16:59,150 - INFO - assuming n2_cc-pVDZ.a107e4ce-0b43-437a-8c59-c2c249d1798d.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-09 20:16:59,150 - INFO - task UUID: 9eed79e4-b195-4474-b280-fe9166a7a241...
-2024-12-09 20:16:59,151 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-09 20:16:59,151 - INFO - attempting to process the Hamiltonian...
-2024-12-09 20:16:59,151 - INFO - number of supporting files: 2
-2024-12-09 20:16:59,151 - INFO - supporting data file UUID: e84ef191-bfe0-4859-96b9-0613cad743d4.
-2024-12-09 20:16:59,151 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz.
-2024-12-09 20:16:59,151 - INFO - assuming fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz is an FCIDUMP file.
-2024-12-09 20:16:59,165 - INFO - number of entries in Hamiltonian_features.csv:  213
-2024-12-09 20:16:59,165 - INFO - did NOT find instance_data_object_uuid e84ef191-bfe0-4859-96b9-0613cad743d4 in database.
-2024-12-09 20:16:59,165 - INFO - Processing instance_data_object_uuid e84ef191-bfe0-4859-96b9-0613cad743d4 ...
-2024-12-09 20:16:59,165 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz...
-2024-12-09 20:16:59,210 - INFO - Connected (version 2.0, client 0)
-2024-12-09 20:16:59,709 - INFO - Authentication (publickey) successful!
-2024-12-09 20:16:59,731 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-09 20:18:48,259 - INFO - [chan 0] sftp session closed.
-2024-12-09 20:18:48,259 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-09 20:18:48,259 - INFO - decompressing file fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.gz...
-2024-12-09 20:18:54,208 - INFO - this script has been running for 9.83 hours.
-2024-12-09 20:18:54,208 - INFO - ===============================================
-2024-12-09 20:18:54,208 - INFO - calculating Hamiltonian features...
-2024-12-09 20:18:54,208 - INFO - reading data from fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4
-2024-12-09 20:19:34,591 - INFO - finished reading FCIDUMP data.
-2024-12-09 20:19:34,592 - INFO - data['NORB']: 110
-2024-12-09 20:19:34,592 - INFO - len(data['H1']): 110
-2024-12-09 20:19:34,592 - INFO - ao2mo.restore...
-2024-12-09 20:19:35,186 - INFO - done.
-2024-12-09 20:19:35,187 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-09 20:19:35,187 - INFO - done.
-2024-12-09 20:19:35,187 - INFO - majorana_operator_from_quartic(quartic_fermion)...
-2024-12-10 00:18:22,719 - INFO - done.
-2024-12-10 00:18:22,720 - INFO - fermion_to_qubit_transformation(majorana_op, 'Jordan-Wigner')...
-2024-12-10 00:33:12,192 - INFO - done.
-2024-12-10 00:33:12,192 - INFO - compute_hypergraph_ham_features(pauli_data)...
-2024-12-10 00:35:19,754 - INFO - done.
-2024-12-10 00:35:19,754 - INFO - double_factorization_from_quartic(quartic_fermion)...
-2024-12-10 00:36:29,535 - INFO - done.
-2024-12-10 00:36:29,535 - INFO - truncate_df_eigenvalues(H_DF.eigs)...
-2024-12-10 00:36:29,536 - INFO - done.
-2024-12-10 00:36:29,536 - INFO - Compute FCI determinant dimension using binomial coefficients...
-2024-12-10 00:36:29,536 - INFO - done.
-2024-12-10 00:36:39,218 - INFO - Hamiltonian features calculation run time (seconds): 15465.010171
-2024-12-10 00:36:39,219 - INFO - wrote df_eigs to file: df_eigs.e84ef191-bfe0-4859-96b9-0613cad743d4.bin
-2024-12-10 00:36:39,219 - INFO - deleting file fcidump.n2_cc-pVQZ.e84ef191-bfe0-4859-96b9-0613cad743d4.
-2024-12-10 00:36:39,327 - INFO - appending data to file Hamiltonian_features.csv
-2024-12-10 00:36:39,329 - INFO - this script has been running for 14.12 hours.
-2024-12-10 00:36:39,329 - INFO - supporting data file UUID: bb706eb0-f001-4938-8b70-b9f742942f45.
-2024-12-10 00:36:39,330 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVQZ.bb706eb0-f001-4938-8b70-b9f742942f45.chk.
-2024-12-10 00:36:39,330 - INFO - assuming n2_cc-pVQZ.bb706eb0-f001-4938-8b70-b9f742942f45.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,330 - INFO - task UUID: 666185aa-b65d-4f73-8846-ae9693388d9d...
-2024-12-10 00:36:39,331 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,331 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,331 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,331 - INFO - supporting data file UUID: 48512c28-04a3-4e3b-b6b2-3e4b654c1887.
-2024-12-10 00:36:39,332 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz.
-2024-12-10 00:36:39,332 - INFO - assuming fcidump.n2_cc-pVTZ.48512c28-04a3-4e3b-b6b2-3e4b654c1887.gz is an FCIDUMP file.
-2024-12-10 00:36:39,348 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,348 - INFO - instance_data_object_uuid 48512c28-04a3-4e3b-b6b2-3e4b654c1887 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,348 - INFO - supporting data file UUID: 5235f91b-19a0-4122-b54f-99051ccf0480.
-2024-12-10 00:36:39,348 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk.
-2024-12-10 00:36:39,348 - INFO - assuming n2_cc-pVTZ.5235f91b-19a0-4122-b54f-99051ccf0480.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,348 - INFO - parsing ../problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json
-2024-12-10 00:36:39,349 - INFO - problem_instance UUID: a8895776-3583-4884-fbc7-d6f9df21a7ac
-2024-12-10 00:36:39,349 - INFO - problem_instance short name: fe_red
-2024-12-10 00:36:39,349 - INFO - contains 9 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,349 - INFO - task UUID: 4970c526-817f-4c04-8d7e-797526d5948d...
-2024-12-10 00:36:39,349 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,349 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,349 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,350 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,351 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,351 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,351 - INFO - supporting data file UUID: 79e71b3e-6364-4972-b4b3-07841fa8ba97.
-2024-12-10 00:36:39,351 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz.
-2024-12-10 00:36:39,351 - INFO - assuming fcidump.50_6acme_0.2_old.79e71b3e-6364-4972-b4b3-07841fa8ba97.gz is an FCIDUMP file.
-2024-12-10 00:36:39,366 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,367 - INFO - instance_data_object_uuid 79e71b3e-6364-4972-b4b3-07841fa8ba97 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,367 - INFO - task UUID: d27fb590-4e90-4d5a-bdb8-37fbf22f528b...
-2024-12-10 00:36:39,367 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,367 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,367 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,368 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,369 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,369 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,369 - INFO - supporting data file UUID: e8f72c80-2fde-4bdc-ac1e-07220942f1c2.
-2024-12-10 00:36:39,369 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz.
-2024-12-10 00:36:39,369 - INFO - assuming fcidump.51_6acme_0.2_old.e8f72c80-2fde-4bdc-ac1e-07220942f1c2.gz is an FCIDUMP file.
-2024-12-10 00:36:39,385 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,385 - INFO - instance_data_object_uuid e8f72c80-2fde-4bdc-ac1e-07220942f1c2 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,385 - INFO - task UUID: a7cd2501-2f67-4fcd-b428-f6620f3596fe...
-2024-12-10 00:36:39,385 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,386 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,386 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,387 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,388 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,388 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,388 - INFO - supporting data file UUID: 4854c3ff-b3ce-462b-ab8e-0b132cd880d0.
-2024-12-10 00:36:39,388 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz.
-2024-12-10 00:36:39,388 - INFO - assuming fcidump.52_6acme_0.2_old.4854c3ff-b3ce-462b-ab8e-0b132cd880d0.gz is an FCIDUMP file.
-2024-12-10 00:36:39,403 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,403 - INFO - instance_data_object_uuid 4854c3ff-b3ce-462b-ab8e-0b132cd880d0 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,403 - INFO - task UUID: d3bcc63c-57ad-4346-8290-e36447186440...
-2024-12-10 00:36:39,403 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,403 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,403 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,405 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,405 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,405 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,406 - INFO - supporting data file UUID: 379a0693-4ac3-4ff0-be33-7be3f6cad84f.
-2024-12-10 00:36:39,406 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz.
-2024-12-10 00:36:39,406 - INFO - assuming fcidump.53_ts56_0.2_old.379a0693-4ac3-4ff0-be33-7be3f6cad84f.gz is an FCIDUMP file.
-2024-12-10 00:36:39,423 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,423 - INFO - instance_data_object_uuid 379a0693-4ac3-4ff0-be33-7be3f6cad84f is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,423 - INFO - task UUID: 41907f9f-923d-49e3-80a9-519962110ae7...
-2024-12-10 00:36:39,423 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,423 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,423 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,425 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,426 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,426 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,426 - INFO - supporting data file UUID: 22ab7092-61bb-401f-ac43-912ec10ea48b.
-2024-12-10 00:36:39,426 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz.
-2024-12-10 00:36:39,426 - INFO - assuming fcidump.54_ts56_0.2_old.22ab7092-61bb-401f-ac43-912ec10ea48b.gz is an FCIDUMP file.
-2024-12-10 00:36:39,445 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,446 - INFO - instance_data_object_uuid 22ab7092-61bb-401f-ac43-912ec10ea48b is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,446 - INFO - task UUID: ad9ceeaf-d7be-46b7-95a9-15bfd33f5022...
-2024-12-10 00:36:39,446 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,446 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,446 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,448 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,449 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,449 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,449 - INFO - supporting data file UUID: 8a8780b0-a0ba-4b7e-9847-589302123e86.
-2024-12-10 00:36:39,449 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz.
-2024-12-10 00:36:39,449 - INFO - assuming fcidump.55_ts56_0.2_old.8a8780b0-a0ba-4b7e-9847-589302123e86.gz is an FCIDUMP file.
-2024-12-10 00:36:39,469 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,469 - INFO - instance_data_object_uuid 8a8780b0-a0ba-4b7e-9847-589302123e86 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,469 - INFO - task UUID: adecdd92-73c7-416d-90da-b7a3da7ed50b...
-2024-12-10 00:36:39,469 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,470 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,470 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,472 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,473 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,473 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,473 - INFO - supporting data file UUID: e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.
-2024-12-10 00:36:39,473 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz.
-2024-12-10 00:36:39,473 - INFO - assuming fcidump.56_5_0.2_old.e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e.gz is an FCIDUMP file.
-2024-12-10 00:36:39,494 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,495 - INFO - instance_data_object_uuid e6671ea9-f0cf-413c-97cb-c8ab6eda9d5e is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,495 - INFO - task UUID: 03c70feb-49b8-4113-831a-05e3ae55c66b...
-2024-12-10 00:36:39,495 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,495 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,495 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,497 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,498 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,498 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,498 - INFO - supporting data file UUID: eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.
-2024-12-10 00:36:39,498 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz.
-2024-12-10 00:36:39,499 - INFO - assuming fcidump.57_5_0.2_old.eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047.gz is an FCIDUMP file.
-2024-12-10 00:36:39,519 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,520 - INFO - instance_data_object_uuid eb34bf5e-ecd6-4c2a-9eb6-d9bcb507e047 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,520 - INFO - task UUID: 0e936335-6370-4587-92f0-02eafaf650ed...
-2024-12-10 00:36:39,520 - ERROR - Error: 'num_orbitals'
-Traceback (most recent call last):
-  File "/home/labuser/Projects/qb-gsee-benchmark/scripts/./compute_all_ham_features_script.py", line 219, in main
-    num_orbitals = task["features"]["num_orbitals"]
-KeyError: 'num_orbitals'
-2024-12-10 00:36:39,520 - INFO - problem instance does not explicitly state the number of orbitals.
-2024-12-10 00:36:39,520 - INFO - checking the num_orbitals_cheat_sheet...
-2024-12-10 00:36:39,522 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,523 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,523 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,524 - INFO - supporting data file UUID: 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.
-2024-12-10 00:36:39,524 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz.
-2024-12-10 00:36:39,524 - INFO - assuming fcidump.58_5_0.2_old.5f3178b5-0ad3-469a-ae08-e9ecdc637ed3.gz is an FCIDUMP file.
-2024-12-10 00:36:39,545 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,545 - INFO - instance_data_object_uuid 5f3178b5-0ad3-469a-ae08-e9ecdc637ed3 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,546 - INFO - parsing ../problem_instances/problem_instance.Fe_1.33c9a058-7a67-454c-856c-2519ba55b44d.json
-2024-12-10 00:36:39,546 - INFO - problem_instance UUID: 33c9a058-7a67-454c-856c-2519ba55b44d
-2024-12-10 00:36:39,546 - INFO - problem_instance short name: Fe_1
-2024-12-10 00:36:39,546 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,546 - INFO - task UUID: a7e26b10-bd6b-457c-978e-9050f6529007...
-2024-12-10 00:36:39,548 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,549 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,549 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,549 - INFO - supporting data file UUID: b57e3b82-2511-4c00-a850-f6aeba98b0b2.
-2024-12-10 00:36:39,549 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz.
-2024-12-10 00:36:39,549 - INFO - assuming fcidump.Fe1_vdz.b57e3b82-2511-4c00-a850-f6aeba98b0b2.gz is an FCIDUMP file.
-2024-12-10 00:36:39,570 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,570 - INFO - instance_data_object_uuid b57e3b82-2511-4c00-a850-f6aeba98b0b2 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,571 - INFO - supporting data file UUID: eaab709a-c628-4295-85d0-412071d1d7cc.
-2024-12-10 00:36:39,571 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk.
-2024-12-10 00:36:39,571 - INFO - assuming Fe1_vdz.eaab709a-c628-4295-85d0-412071d1d7cc.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,571 - INFO - task UUID: 6ab8d16c-b8f3-4780-b278-dad81646ca8c...
-2024-12-10 00:36:39,573 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,573 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,573 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,573 - INFO - supporting data file UUID: b9615d62-11ee-49f7-8df4-df94466b2211.
-2024-12-10 00:36:39,573 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz.
-2024-12-10 00:36:39,573 - INFO - assuming fcidump.Fe1_vtz.b9615d62-11ee-49f7-8df4-df94466b2211.gz is an FCIDUMP file.
-2024-12-10 00:36:39,594 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,594 - INFO - instance_data_object_uuid b9615d62-11ee-49f7-8df4-df94466b2211 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,594 - INFO - supporting data file UUID: 7421b0eb-3b7f-42d6-ae6b-6583666b38e2.
-2024-12-10 00:36:39,594 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk.
-2024-12-10 00:36:39,595 - INFO - assuming Fe1_vtz.7421b0eb-3b7f-42d6-ae6b-6583666b38e2.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,595 - INFO - parsing ../problem_instances/problem_instance.ScO_0.7437abf0-1394-47ce-9218-d181f1732112.json
-2024-12-10 00:36:39,595 - INFO - problem_instance UUID: 7437abf0-1394-47ce-9218-d181f1732112
-2024-12-10 00:36:39,595 - INFO - problem_instance short name: ScO_0
-2024-12-10 00:36:39,595 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,595 - INFO - task UUID: 9fa4fc3a-b0b9-4eaa-99ee-0469ae5a511d...
-2024-12-10 00:36:39,597 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,597 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,597 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,597 - INFO - supporting data file UUID: 987498ce-5b91-4df6-924c-82d4841c17c2.
-2024-12-10 00:36:39,597 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz.
-2024-12-10 00:36:39,597 - INFO - assuming fcidump.ScO_vdz.987498ce-5b91-4df6-924c-82d4841c17c2.gz is an FCIDUMP file.
-2024-12-10 00:36:39,616 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,617 - INFO - instance_data_object_uuid 987498ce-5b91-4df6-924c-82d4841c17c2 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,617 - INFO - supporting data file UUID: 249d53eb-a925-4b2b-92eb-5a7b05c39069.
-2024-12-10 00:36:39,617 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk.
-2024-12-10 00:36:39,617 - INFO - assuming ScO_vdz.249d53eb-a925-4b2b-92eb-5a7b05c39069.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,617 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0003.a37c86c0-1937-4f05-83ab-08a5fd104b7e.json
-2024-12-10 00:36:39,618 - INFO - problem_instance UUID: a37c86c0-1937-4f05-83ab-08a5fd104b7e
-2024-12-10 00:36:39,618 - INFO - problem_instance short name: planted_solution_0003
-2024-12-10 00:36:39,618 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,618 - INFO - task UUID: 472bbfb1-c081-4df6-b966-32ce1194ab8c...
-2024-12-10 00:36:39,620 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,620 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,620 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,620 - INFO - supporting data file UUID: efddd28a-383d-4929-9335-22e54ba2ffbe.
-2024-12-10 00:36:39,620 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz.
-2024-12-10 00:36:39,620 - INFO - assuming fcidump.planted_solution_0003.efddd28a-383d-4929-9335-22e54ba2ffbe.gz is an FCIDUMP file.
-2024-12-10 00:36:39,637 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,637 - INFO - instance_data_object_uuid efddd28a-383d-4929-9335-22e54ba2ffbe is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,637 - INFO - parsing ../problem_instances/problem_instance.h_c_n_0.8846a90e-96cb-4bc3-ad06-5388212f728e.json
-2024-12-10 00:36:39,637 - INFO - problem_instance UUID: 8846a90e-96cb-4bc3-ad06-5388212f728e
-2024-12-10 00:36:39,638 - INFO - problem_instance short name: h_c_n_0
-2024-12-10 00:36:39,638 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,638 - INFO - task UUID: 94db0c2c-89f6-4c3d-b886-a3a6a2bdad1d...
-2024-12-10 00:36:39,639 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,639 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,639 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,639 - INFO - supporting data file UUID: 8ab023ed-7cdf-49e6-87d9-369a13f2ac82.
-2024-12-10 00:36:39,639 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz.
-2024-12-10 00:36:39,639 - INFO - assuming fcidump.h_c_n_cc-pVDZ.8ab023ed-7cdf-49e6-87d9-369a13f2ac82.gz is an FCIDUMP file.
-2024-12-10 00:36:39,654 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,654 - INFO - instance_data_object_uuid 8ab023ed-7cdf-49e6-87d9-369a13f2ac82 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,654 - INFO - supporting data file UUID: 46053168-a236-4e18-a305-965bdce3e019.
-2024-12-10 00:36:39,654 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk.
-2024-12-10 00:36:39,655 - INFO - assuming h_c_n_cc-pVDZ.46053168-a236-4e18-a305-965bdce3e019.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,655 - INFO - task UUID: c5ef4702-fc8d-4168-b594-8d5872fdb523...
-2024-12-10 00:36:39,656 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,656 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,656 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,656 - INFO - supporting data file UUID: 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.
-2024-12-10 00:36:39,656 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz.
-2024-12-10 00:36:39,656 - INFO - assuming fcidump.h_c_n_cc-pVTZ.6fdfd37c-a5dc-4481-b08e-87dcfec8a4de.gz is an FCIDUMP file.
-2024-12-10 00:36:39,671 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,672 - INFO - instance_data_object_uuid 6fdfd37c-a5dc-4481-b08e-87dcfec8a4de is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,672 - INFO - supporting data file UUID: 6e127086-f92c-4ff5-ab61-7999670be0e7.
-2024-12-10 00:36:39,672 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk.
-2024-12-10 00:36:39,672 - INFO - assuming h_c_n_cc-pVTZ.6e127086-f92c-4ff5-ab61-7999670be0e7.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,672 - INFO - parsing ../problem_instances/problem_instance.si_h4_0.13c7144d-047e-4431-8d02-0b1d14c0526b.json
-2024-12-10 00:36:39,672 - INFO - problem_instance UUID: 13c7144d-047e-4431-8d02-0b1d14c0526b
-2024-12-10 00:36:39,672 - INFO - problem_instance short name: si_h4_0
-2024-12-10 00:36:39,673 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,673 - INFO - task UUID: 2eaee11d-c1a0-4d2b-b29b-a38e658572f2...
-2024-12-10 00:36:39,675 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,675 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,675 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,675 - INFO - supporting data file UUID: c37edb04-5163-4d5c-a54e-df5887f0d82e.
-2024-12-10 00:36:39,675 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz.
-2024-12-10 00:36:39,675 - INFO - assuming fcidump.si_h4_cc-pVDZ.c37edb04-5163-4d5c-a54e-df5887f0d82e.gz is an FCIDUMP file.
-2024-12-10 00:36:39,691 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,692 - INFO - instance_data_object_uuid c37edb04-5163-4d5c-a54e-df5887f0d82e is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,692 - INFO - supporting data file UUID: de9aba1e-5c4d-4372-8895-d1495c7af8fa.
-2024-12-10 00:36:39,692 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk.
-2024-12-10 00:36:39,692 - INFO - assuming si_h4_cc-pVDZ.de9aba1e-5c4d-4372-8895-d1495c7af8fa.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,692 - INFO - task UUID: 6ca72d49-425b-43f3-96e7-4067bacd0596...
-2024-12-10 00:36:39,693 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,694 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,694 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,694 - INFO - supporting data file UUID: e709c0b6-d851-47d2-b72a-f4da8479a772.
-2024-12-10 00:36:39,694 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz.
-2024-12-10 00:36:39,694 - INFO - assuming fcidump.si_h4_cc-pVTZ.e709c0b6-d851-47d2-b72a-f4da8479a772.gz is an FCIDUMP file.
-2024-12-10 00:36:39,710 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,710 - INFO - instance_data_object_uuid e709c0b6-d851-47d2-b72a-f4da8479a772 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,711 - INFO - supporting data file UUID: 10435f0a-a736-4c87-957b-f7a1183b2eca.
-2024-12-10 00:36:39,711 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk.
-2024-12-10 00:36:39,711 - INFO - assuming si_h4_cc-pVTZ.10435f0a-a736-4c87-957b-f7a1183b2eca.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,711 - INFO - parsing ../problem_instances/problem_instance.planted_solution_0009.8db449b1-265b-4a66-b965-a2b4833a88d1.json
-2024-12-10 00:36:39,711 - INFO - problem_instance UUID: 8db449b1-265b-4a66-b965-a2b4833a88d1
-2024-12-10 00:36:39,711 - INFO - problem_instance short name: planted_solution_0009
-2024-12-10 00:36:39,711 - INFO - contains 1 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,711 - INFO - task UUID: 8f373cb0-952d-48c6-a871-8a10e52e7c19...
-2024-12-10 00:36:39,712 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,713 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,713 - INFO - number of supporting files: 1
-2024-12-10 00:36:39,713 - INFO - supporting data file UUID: bbbbba1c-868c-45a5-b16c-0c17536e83d8.
-2024-12-10 00:36:39,713 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/planted_solutions/fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz.
-2024-12-10 00:36:39,713 - INFO - assuming fcidump.planted_solution_0009.bbbbba1c-868c-45a5-b16c-0c17536e83d8.gz is an FCIDUMP file.
-2024-12-10 00:36:39,730 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,731 - INFO - instance_data_object_uuid bbbbba1c-868c-45a5-b16c-0c17536e83d8 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,731 - INFO - parsing ../problem_instances/problem_instance.Mn_1.11c8be98-d9c9-40ea-8d88-ea8c555028f6.json
-2024-12-10 00:36:39,731 - INFO - problem_instance UUID: 11c8be98-d9c9-40ea-8d88-ea8c555028f6
-2024-12-10 00:36:39,731 - INFO - problem_instance short name: Mn_1
-2024-12-10 00:36:39,731 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,731 - INFO - task UUID: 9d82f7d4-165d-4499-8add-361a770d1d44...
-2024-12-10 00:36:39,733 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,733 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,733 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,734 - INFO - supporting data file UUID: 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.
-2024-12-10 00:36:39,734 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz.
-2024-12-10 00:36:39,734 - INFO - assuming fcidump.Mn1_vdz.51fac1c9-e29a-4033-b3d3-9cc37f64b4d4.gz is an FCIDUMP file.
-2024-12-10 00:36:39,754 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,754 - INFO - instance_data_object_uuid 51fac1c9-e29a-4033-b3d3-9cc37f64b4d4 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,755 - INFO - supporting data file UUID: d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.
-2024-12-10 00:36:39,755 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk.
-2024-12-10 00:36:39,755 - INFO - assuming Mn1_vdz.d6ee6ee5-1c48-4d9b-8175-e94f0d3e9924.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,755 - INFO - task UUID: 29eecba9-3d4d-4672-8b19-475f53b2f1be...
-2024-12-10 00:36:39,757 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,757 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,757 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,757 - INFO - supporting data file UUID: 00c757c4-3c99-4521-82b1-3e3a12d49854.
-2024-12-10 00:36:39,757 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz.
-2024-12-10 00:36:39,757 - INFO - assuming fcidump.Mn1_vtz.00c757c4-3c99-4521-82b1-3e3a12d49854.gz is an FCIDUMP file.
-2024-12-10 00:36:39,778 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,778 - INFO - instance_data_object_uuid 00c757c4-3c99-4521-82b1-3e3a12d49854 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,778 - INFO - supporting data file UUID: e4481467-4b06-43b0-9e22-b3c5fa930709.
-2024-12-10 00:36:39,779 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk.
-2024-12-10 00:36:39,779 - INFO - assuming Mn1_vtz.e4481467-4b06-43b0-9e22-b3c5fa930709.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,779 - INFO - parsing ../problem_instances/problem_instance.c_h3_cl_0.379781b8-5732-492e-9fca-6fad3fc3692a.json
-2024-12-10 00:36:39,779 - INFO - problem_instance UUID: 379781b8-5732-492e-9fca-6fad3fc3692a
-2024-12-10 00:36:39,779 - INFO - problem_instance short name: c_h3_cl_0
-2024-12-10 00:36:39,779 - INFO - contains 2 associated tasks (Hamiltonians).
-2024-12-10 00:36:39,779 - INFO - task UUID: 0667179a-19eb-44b9-a544-dae8793fdc3f...
-2024-12-10 00:36:39,781 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,781 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,781 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,781 - INFO - supporting data file UUID: 80298b55-8915-462f-8f20-e4332c94ed41.
-2024-12-10 00:36:39,781 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz.
-2024-12-10 00:36:39,781 - INFO - assuming fcidump.c_h3_cl_cc-pVDZ.80298b55-8915-462f-8f20-e4332c94ed41.gz is an FCIDUMP file.
-2024-12-10 00:36:39,798 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,798 - INFO - instance_data_object_uuid 80298b55-8915-462f-8f20-e4332c94ed41 is already in the feature database.  Skipping it!
-2024-12-10 00:36:39,798 - INFO - supporting data file UUID: a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.
-2024-12-10 00:36:39,798 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk.
-2024-12-10 00:36:39,798 - INFO - assuming c_h3_cl_cc-pVDZ.a522fff7-f228-4ee8-8e52-2b5ab0f4f3ff.chk is NOT an FCIDUMP file.  SKIPPING!
-2024-12-10 00:36:39,798 - INFO - task UUID: ae315bef-f3c6-4c84-93c5-0d8ab510ece3...
-2024-12-10 00:36:39,800 - INFO - number of entries in num_orbitals_cheat_sheet.csv:  230
-2024-12-10 00:36:39,800 - INFO - attempting to process the Hamiltonian...
-2024-12-10 00:36:39,800 - INFO - number of supporting files: 2
-2024-12-10 00:36:39,800 - INFO - supporting data file UUID: a53ae008-4ad2-4736-9a57-cfc011e3aace.
-2024-12-10 00:36:39,800 - INFO - supporting data file URL: sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz.
-2024-12-10 00:36:39,800 - INFO - assuming fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz is an FCIDUMP file.
-2024-12-10 00:36:39,815 - INFO - number of entries in Hamiltonian_features.csv:  214
-2024-12-10 00:36:39,816 - INFO - did NOT find instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace in database.
-2024-12-10 00:36:39,816 - INFO - Processing instance_data_object_uuid a53ae008-4ad2-4736-9a57-cfc011e3aace ...
-2024-12-10 00:36:39,816 - INFO - SFTP downloading file sftp://sftp.l3harris.com/gsee/small_molecules/fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
-2024-12-10 00:36:39,861 - INFO - Connected (version 2.0, client 0)
-2024-12-10 00:36:40,382 - INFO - Authentication (publickey) successful!
-2024-12-10 00:36:40,397 - INFO - [chan 0] Opened sftp connection (server version 3)
-2024-12-10 00:43:17,919 - INFO - [chan 0] sftp session closed.
-2024-12-10 00:43:17,920 - INFO - File fetched successfully from sftp.l3harris.com
-2024-12-10 00:43:17,920 - INFO - decompressing file fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace.gz...
-2024-12-10 00:43:29,322 - INFO - this script has been running for 14.24 hours.
-2024-12-10 00:43:29,322 - INFO - ===============================================
-2024-12-10 00:43:29,322 - INFO - calculating Hamiltonian features...
-2024-12-10 00:43:29,322 - INFO - reading data from fcidump.c_h3_cl_cc-pVTZ.a53ae008-4ad2-4736-9a57-cfc011e3aace
-2024-12-10 00:45:03,550 - INFO - finished reading FCIDUMP data.
-2024-12-10 00:45:03,550 - INFO - data['NORB']: 106
-2024-12-10 00:45:03,550 - INFO - len(data['H1']): 106
-2024-12-10 00:45:03,550 - INFO - ao2mo.restore...
-2024-12-10 00:45:04,172 - INFO - done.
-2024-12-10 00:45:04,172 - INFO - QuarticDirac(eri_4d, h1, norb)...
-2024-12-10 00:45:04,172 - INFO - done.
-2024-12-10 00:45:04,172 - INFO - majorana_operator_from_quartic(quartic_fermion)...

From 8fbc132c18339cd46c65ce3af78256269fc9a5fb Mon Sep 17 00:00:00 2001
From: GitHub Action <action@github.com>
Date: Mon, 16 Dec 2024 14:24:12 +0000
Subject: [PATCH 23/25] Automatic problem_instance JSON Schema Validation

---
 scripts/problem_instance_json_schema_validation_log.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/scripts/problem_instance_json_schema_validation_log.txt b/scripts/problem_instance_json_schema_validation_log.txt
index 09515b1..54ea32e 100644
--- a/scripts/problem_instance_json_schema_validation_log.txt
+++ b/scripts/problem_instance_json_schema_validation_log.txt
@@ -1,5 +1,5 @@
-Mon Dec 16 13:39:54 UTC 2024
-INFO:root:started at: 2024-12-16T13:39:54.913959
+Mon Dec 16 14:24:08 UTC 2024
+INFO:root:started at: 2024-12-16T14:24:09.035629
 INFO:root:input directory: ../problem_instances
 INFO:root:errored_files_directory file: ../json_files_with_errors
 INFO:root:parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json

From f532bdccd063a694a60f28b41e8967ba78208f6d Mon Sep 17 00:00:00 2001
From: GitHub Action <action@github.com>
Date: Mon, 16 Dec 2024 14:49:05 +0000
Subject: [PATCH 24/25] Automatic problem_instance JSON Schema Validation

---
 scripts/problem_instance_json_schema_validation_log.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/scripts/problem_instance_json_schema_validation_log.txt b/scripts/problem_instance_json_schema_validation_log.txt
index 54ea32e..d63fba5 100644
--- a/scripts/problem_instance_json_schema_validation_log.txt
+++ b/scripts/problem_instance_json_schema_validation_log.txt
@@ -1,5 +1,5 @@
-Mon Dec 16 14:24:08 UTC 2024
-INFO:root:started at: 2024-12-16T14:24:09.035629
+Mon Dec 16 14:49:00 UTC 2024
+INFO:root:started at: 2024-12-16T14:49:00.524850
 INFO:root:input directory: ../problem_instances
 INFO:root:errored_files_directory file: ../json_files_with_errors
 INFO:root:parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json

From 07765eb16831adfa95aef6b51c15689542fe6b56 Mon Sep 17 00:00:00 2001
From: GitHub Action <action@github.com>
Date: Mon, 16 Dec 2024 14:49:53 +0000
Subject: [PATCH 25/25] Automatic problem_instance JSON Schema Validation

---
 scripts/problem_instance_json_schema_validation_log.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/scripts/problem_instance_json_schema_validation_log.txt b/scripts/problem_instance_json_schema_validation_log.txt
index d63fba5..fea7c77 100644
--- a/scripts/problem_instance_json_schema_validation_log.txt
+++ b/scripts/problem_instance_json_schema_validation_log.txt
@@ -1,5 +1,5 @@
-Mon Dec 16 14:49:00 UTC 2024
-INFO:root:started at: 2024-12-16T14:49:00.524850
+Mon Dec 16 14:49:49 UTC 2024
+INFO:root:started at: 2024-12-16T14:49:50.099111
 INFO:root:input directory: ../problem_instances
 INFO:root:errored_files_directory file: ../json_files_with_errors
 INFO:root:parsing ../problem_instances/problem_instance.h2_o2_0.cc7044d7-28e0-4fe2-bd6b-c9c758da4776.json